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/1z43-3519c7c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1z43-3519c7c6/inputs/seq.fa: 1 curr_seq: _GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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/1z43-3519c7c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1z43-3519c7c6/inputs/seq.fa: 1 curr_seq: _GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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/1z43-3519c7c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1z43-3519c7c6/inputs/seq.fa: 1 curr_seq: _GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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/1z43-3519c7c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1z43-3519c7c6/inputs/seq.fa: 1 curr_seq: _GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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/1z43-3519c7c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1z43-3519c7c6/inputs/seq.fa: 1 curr_seq: _GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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/1z43-3519c7c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1z43-3519c7c6/inputs/seq.fa: 1 curr_seq: _GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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/1z43-3519c7c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1z43-3519c7c6/inputs/seq.fa: 1 curr_seq: _GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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/1z43-3519c7c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1z43-3519c7c6/inputs/seq.fa: 1 curr_seq: _GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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/1z43-3519c7c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1z43-3519c7c6/inputs/seq.fa: 1 curr_seq: _GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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/1z43-3519c7c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1z43-3519c7c6/inputs/seq.fa: 1 curr_seq: _GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCGGCGGUGGGGGAGCAUCUCCUGUAGGGGAGAUGUAACCCCCUUUACCUGCCGAACCCCGCCAGGCCCGGAAGGGAGCAACGGUAGGCAGGACGUCGG 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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: -387.136809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.136809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.136809 (E_RNA) where: Base-Base interactions energy: 6.200 where: short stacking energy: 6.200 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -387.136809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.136809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.136809 (E_RNA) where: Base-Base interactions energy: 6.200 where: short stacking energy: 6.200 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -387.136809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.136809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.136809 (E_RNA) where: Base-Base interactions energy: 6.200 where: short stacking energy: 6.200 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -387.136809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.136809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.136809 (E_RNA) where: Base-Base interactions energy: 6.200 where: short stacking energy: 6.200 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -387.136809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.136809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.136809 (E_RNA) where: Base-Base interactions energy: 6.200 where: short stacking energy: 6.200 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -387.136809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.136809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.136809 (E_RNA) where: Base-Base interactions energy: 6.200 where: short stacking energy: 6.200 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -387.136809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.136809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.136809 (E_RNA) where: Base-Base interactions energy: 6.200 where: short stacking energy: 6.200 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -387.136809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.136809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.136809 (E_RNA) where: Base-Base interactions energy: 6.200 where: short stacking energy: 6.200 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 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: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -387.136809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.136809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.136809 (E_RNA) where: Base-Base interactions energy: 6.200 where: short stacking energy: 6.200 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 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: 1 Temperature: 1.350000 Total energy: -387.136809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.136809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.136809 (E_RNA) where: Base-Base interactions energy: 6.200 where: short stacking energy: 6.200 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -593.053601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.053601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.053601 (E_RNA) where: Base-Base interactions energy: -271.875 where: short stacking energy: -256.698 Base-Backbone interact. energy: -0.341 local terms energy: -320.836861 where: bonds (distance) C4'-P energy: -65.319 bonds (distance) P-C4' energy: -69.291 flat angles C4'-P-C4' energy: -81.231 flat angles P-C4'-P energy: -49.029 tors. eta vs tors. theta energy: -55.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -542.935625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.935625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.935625 (E_RNA) where: Base-Base interactions energy: -262.538 where: short stacking energy: -243.714 Base-Backbone interact. energy: 0.796 local terms energy: -281.193552 where: bonds (distance) C4'-P energy: -58.017 bonds (distance) P-C4' energy: -59.639 flat angles C4'-P-C4' energy: -63.746 flat angles P-C4'-P energy: -50.466 tors. eta vs tors. theta energy: -49.325 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: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -486.608596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.608596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.608596 (E_RNA) where: Base-Base interactions energy: -216.430 where: short stacking energy: -216.430 Base-Backbone interact. energy: -0.043 local terms energy: -270.135128 where: bonds (distance) C4'-P energy: -67.698 bonds (distance) P-C4' energy: -51.090 flat angles C4'-P-C4' energy: -68.821 flat angles P-C4'-P energy: -35.427 tors. eta vs tors. theta energy: -47.100 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: 2 Temperature: 1.050000 Total energy: -482.669286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.669286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.669286 (E_RNA) where: Base-Base interactions energy: -228.809 where: short stacking energy: -209.828 Base-Backbone interact. energy: -1.553 local terms energy: -252.307219 where: bonds (distance) C4'-P energy: -67.140 bonds (distance) P-C4' energy: -58.286 flat angles C4'-P-C4' energy: -62.070 flat angles P-C4'-P energy: -25.922 tors. eta vs tors. theta energy: -38.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -395.704315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.704315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.704315 (E_RNA) where: Base-Base interactions energy: -155.580 where: short stacking energy: -148.706 Base-Backbone interact. energy: 0.587 local terms energy: -240.711335 where: bonds (distance) C4'-P energy: -58.208 bonds (distance) P-C4' energy: -63.982 flat angles C4'-P-C4' energy: -58.664 flat angles P-C4'-P energy: -35.570 tors. eta vs tors. theta energy: -24.288 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -404.243340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.243340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.243340 (E_RNA) where: Base-Base interactions energy: -121.192 where: short stacking energy: -121.192 Base-Backbone interact. energy: -0.001 local terms energy: -283.050878 where: bonds (distance) C4'-P energy: -56.638 bonds (distance) P-C4' energy: -64.591 flat angles C4'-P-C4' energy: -75.496 flat angles P-C4'-P energy: -49.298 tors. eta vs tors. theta energy: -37.028 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -392.324787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.324787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.324787 (E_RNA) where: Base-Base interactions energy: -26.387 where: short stacking energy: -26.387 Base-Backbone interact. energy: -0.000 local terms energy: -365.937187 where: bonds (distance) C4'-P energy: -86.385 bonds (distance) P-C4' energy: -77.813 flat angles C4'-P-C4' energy: -72.669 flat angles P-C4'-P energy: -80.791 tors. eta vs tors. theta energy: -48.279 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -388.921151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.921151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.921151 (E_RNA) where: Base-Base interactions energy: -1.142 where: short stacking energy: -1.142 Base-Backbone interact. energy: -0.000 local terms energy: -387.779282 where: bonds (distance) C4'-P energy: -95.696 bonds (distance) P-C4' energy: -89.405 flat angles C4'-P-C4' energy: -72.762 flat angles P-C4'-P energy: -84.304 tors. eta vs tors. theta energy: -45.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -388.782775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.782775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.782775 (E_RNA) where: Base-Base interactions energy: -1.142 where: short stacking energy: -1.142 Base-Backbone interact. energy: -0.000 local terms energy: -387.641108 where: bonds (distance) C4'-P energy: -95.696 bonds (distance) P-C4' energy: -89.405 flat angles C4'-P-C4' energy: -72.762 flat angles P-C4'-P energy: -84.304 tors. eta vs tors. theta energy: -45.474 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -388.432660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.432660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.432660 (E_RNA) where: Base-Base interactions energy: 0.564 where: short stacking energy: 0.564 Base-Backbone interact. energy: -0.000 local terms energy: -388.996980 where: bonds (distance) C4'-P energy: -96.545 bonds (distance) P-C4' energy: -88.887 flat angles C4'-P-C4' energy: -73.523 flat angles P-C4'-P energy: -84.426 tors. eta vs tors. theta energy: -45.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -634.963620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.963620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.963620 (E_RNA) where: Base-Base interactions energy: -320.191 where: short stacking energy: -278.386 Base-Backbone interact. energy: -1.340 local terms energy: -313.432703 where: bonds (distance) C4'-P energy: -69.892 bonds (distance) P-C4' energy: -62.903 flat angles C4'-P-C4' energy: -67.993 flat angles P-C4'-P energy: -47.433 tors. eta vs tors. theta energy: -65.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -652.453903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.453903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.453903 (E_RNA) where: Base-Base interactions energy: -332.318 where: short stacking energy: -263.221 Base-Backbone interact. energy: -0.276 local terms energy: -319.859776 where: bonds (distance) C4'-P energy: -63.869 bonds (distance) P-C4' energy: -69.188 flat angles C4'-P-C4' energy: -68.357 flat angles P-C4'-P energy: -47.197 tors. eta vs tors. theta energy: -71.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -524.730870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.730870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.730870 (E_RNA) where: Base-Base interactions energy: -243.308 where: short stacking energy: -218.152 Base-Backbone interact. energy: -0.235 local terms energy: -281.187141 where: bonds (distance) C4'-P energy: -59.090 bonds (distance) P-C4' energy: -62.096 flat angles C4'-P-C4' energy: -62.895 flat angles P-C4'-P energy: -38.823 tors. eta vs tors. theta energy: -58.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -539.740930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.740930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.740930 (E_RNA) where: Base-Base interactions energy: -265.846 where: short stacking energy: -222.083 Base-Backbone interact. energy: -0.913 local terms energy: -272.982166 where: bonds (distance) C4'-P energy: -56.762 bonds (distance) P-C4' energy: -62.308 flat angles C4'-P-C4' energy: -56.998 flat angles P-C4'-P energy: -50.219 tors. eta vs tors. theta energy: -46.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -500.154735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.154735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.154735 (E_RNA) where: Base-Base interactions energy: -266.222 where: short stacking energy: -169.949 Base-Backbone interact. energy: -0.847 local terms energy: -233.085911 where: bonds (distance) C4'-P energy: -57.981 bonds (distance) P-C4' energy: -58.146 flat angles C4'-P-C4' energy: -56.587 flat angles P-C4'-P energy: -32.638 tors. eta vs tors. theta energy: -27.734 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: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -437.531592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.531592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.531592 (E_RNA) where: Base-Base interactions energy: -220.063 where: short stacking energy: -127.433 Base-Backbone interact. energy: -0.624 local terms energy: -216.845238 where: bonds (distance) C4'-P energy: -54.592 bonds (distance) P-C4' energy: -63.754 flat angles C4'-P-C4' energy: -59.109 flat angles P-C4'-P energy: -29.408 tors. eta vs tors. theta energy: -9.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -396.053763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.053763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.053763 (E_RNA) where: Base-Base interactions energy: -204.634 where: short stacking energy: -127.030 Base-Backbone interact. energy: -0.940 local terms energy: -190.480464 where: bonds (distance) C4'-P energy: -43.282 bonds (distance) P-C4' energy: -56.957 flat angles C4'-P-C4' energy: -58.639 flat angles P-C4'-P energy: -27.541 tors. eta vs tors. theta energy: -4.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -391.552122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.552122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.552122 (E_RNA) where: Base-Base interactions energy: -176.846 where: short stacking energy: -106.509 Base-Backbone interact. energy: 5.152 local terms energy: -219.858411 where: bonds (distance) C4'-P energy: -58.024 bonds (distance) P-C4' energy: -60.936 flat angles C4'-P-C4' energy: -55.491 flat angles P-C4'-P energy: -37.514 tors. eta vs tors. theta energy: -7.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -322.098252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.098252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.098252 (E_RNA) where: Base-Base interactions energy: -119.768 where: short stacking energy: -107.124 Base-Backbone interact. energy: 1.677 local terms energy: -204.006859 where: bonds (distance) C4'-P energy: -57.340 bonds (distance) P-C4' energy: -54.826 flat angles C4'-P-C4' energy: -53.975 flat angles P-C4'-P energy: -37.245 tors. eta vs tors. theta energy: -0.621 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -298.386132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.386132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.386132 (E_RNA) where: Base-Base interactions energy: -108.072 where: short stacking energy: -89.319 Base-Backbone interact. energy: -2.126 local terms energy: -188.188190 where: bonds (distance) C4'-P energy: -51.650 bonds (distance) P-C4' energy: -51.287 flat angles C4'-P-C4' energy: -58.506 flat angles P-C4'-P energy: -20.623 tors. eta vs tors. theta energy: -6.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -676.903306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.903306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.903306 (E_RNA) where: Base-Base interactions energy: -342.643 where: short stacking energy: -261.536 Base-Backbone interact. energy: -0.947 local terms energy: -333.312951 where: bonds (distance) C4'-P energy: -75.544 bonds (distance) P-C4' energy: -73.389 flat angles C4'-P-C4' energy: -64.771 flat angles P-C4'-P energy: -43.338 tors. eta vs tors. theta energy: -76.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -654.977630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.977630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.977630 (E_RNA) where: Base-Base interactions energy: -345.913 where: short stacking energy: -261.884 Base-Backbone interact. energy: -0.839 local terms energy: -308.226294 where: bonds (distance) C4'-P energy: -65.442 bonds (distance) P-C4' energy: -62.742 flat angles C4'-P-C4' energy: -64.277 flat angles P-C4'-P energy: -48.157 tors. eta vs tors. theta energy: -67.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -596.138717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.138717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.138717 (E_RNA) where: Base-Base interactions energy: -305.362 where: short stacking energy: -256.180 Base-Backbone interact. energy: -0.353 local terms energy: -290.423276 where: bonds (distance) C4'-P energy: -52.659 bonds (distance) P-C4' energy: -62.076 flat angles C4'-P-C4' energy: -70.236 flat angles P-C4'-P energy: -43.727 tors. eta vs tors. theta energy: -61.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -516.446995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.446995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.446995 (E_RNA) where: Base-Base interactions energy: -259.253 where: short stacking energy: -203.057 Base-Backbone interact. energy: 0.164 local terms energy: -257.358742 where: bonds (distance) C4'-P energy: -56.217 bonds (distance) P-C4' energy: -54.530 flat angles C4'-P-C4' energy: -62.105 flat angles P-C4'-P energy: -37.805 tors. eta vs tors. theta energy: -46.702 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: 5, replica: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -576.632060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.632060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.632060 (E_RNA) where: Base-Base interactions energy: -330.357 where: short stacking energy: -190.754 Base-Backbone interact. energy: -0.668 local terms energy: -245.607477 where: bonds (distance) C4'-P energy: -56.204 bonds (distance) P-C4' energy: -61.654 flat angles C4'-P-C4' energy: -47.410 flat angles P-C4'-P energy: -38.839 tors. eta vs tors. theta energy: -41.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -459.369838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.369838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.369838 (E_RNA) where: Base-Base interactions energy: -247.237 where: short stacking energy: -152.872 Base-Backbone interact. energy: 0.455 local terms energy: -212.588354 where: bonds (distance) C4'-P energy: -56.164 bonds (distance) P-C4' energy: -59.404 flat angles C4'-P-C4' energy: -37.686 flat angles P-C4'-P energy: -40.250 tors. eta vs tors. theta energy: -19.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -435.021745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.021745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.021745 (E_RNA) where: Base-Base interactions energy: -222.475 where: short stacking energy: -154.973 Base-Backbone interact. energy: -1.324 local terms energy: -211.223198 where: bonds (distance) C4'-P energy: -55.714 bonds (distance) P-C4' energy: -53.906 flat angles C4'-P-C4' energy: -52.618 flat angles P-C4'-P energy: -26.309 tors. eta vs tors. theta energy: -22.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -345.447045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.447045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.447045 (E_RNA) where: Base-Base interactions energy: -148.556 where: short stacking energy: -98.163 Base-Backbone interact. energy: -3.622 local terms energy: -193.268948 where: bonds (distance) C4'-P energy: -47.023 bonds (distance) P-C4' energy: -63.070 flat angles C4'-P-C4' energy: -59.250 flat angles P-C4'-P energy: -23.304 tors. eta vs tors. theta energy: -0.622 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: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -319.784047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.784047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.784047 (E_RNA) where: Base-Base interactions energy: -147.959 where: short stacking energy: -133.825 Base-Backbone interact. energy: -1.016 local terms energy: -170.809011 where: bonds (distance) C4'-P energy: -44.154 bonds (distance) P-C4' energy: -45.941 flat angles C4'-P-C4' energy: -45.300 flat angles P-C4'-P energy: -27.503 tors. eta vs tors. theta energy: -7.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -277.641487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.641487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.641487 (E_RNA) where: Base-Base interactions energy: -119.912 where: short stacking energy: -105.034 Base-Backbone interact. energy: 2.323 local terms energy: -160.053111 where: bonds (distance) C4'-P energy: -31.909 bonds (distance) P-C4' energy: -55.871 flat angles C4'-P-C4' energy: -41.695 flat angles P-C4'-P energy: -25.376 tors. eta vs tors. theta energy: -5.202 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: 1, replica: 2 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -676.184528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.184528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.184528 (E_RNA) where: Base-Base interactions energy: -371.267 where: short stacking energy: -251.168 Base-Backbone interact. energy: -0.499 local terms energy: -304.417915 where: bonds (distance) C4'-P energy: -60.834 bonds (distance) P-C4' energy: -70.475 flat angles C4'-P-C4' energy: -65.606 flat angles P-C4'-P energy: -46.076 tors. eta vs tors. theta energy: -61.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -670.417978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.417978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.417978 (E_RNA) where: Base-Base interactions energy: -374.344 where: short stacking energy: -247.022 Base-Backbone interact. energy: -2.402 local terms energy: -293.671999 where: bonds (distance) C4'-P energy: -60.465 bonds (distance) P-C4' energy: -54.993 flat angles C4'-P-C4' energy: -68.494 flat angles P-C4'-P energy: -53.728 tors. eta vs tors. theta energy: -55.992 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: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -588.793804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.793804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.793804 (E_RNA) where: Base-Base interactions energy: -314.835 where: short stacking energy: -235.094 Base-Backbone interact. energy: -0.930 local terms energy: -273.028349 where: bonds (distance) C4'-P energy: -66.596 bonds (distance) P-C4' energy: -58.298 flat angles C4'-P-C4' energy: -64.045 flat angles P-C4'-P energy: -39.421 tors. eta vs tors. theta energy: -44.669 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: 4, replica: 7 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -648.552594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.552594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.552594 (E_RNA) where: Base-Base interactions energy: -379.735 where: short stacking energy: -241.045 Base-Backbone interact. energy: 0.259 local terms energy: -269.076925 where: bonds (distance) C4'-P energy: -50.848 bonds (distance) P-C4' energy: -60.982 flat angles C4'-P-C4' energy: -70.404 flat angles P-C4'-P energy: -34.695 tors. eta vs tors. theta energy: -52.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -516.440524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.440524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.440524 (E_RNA) where: Base-Base interactions energy: -265.885 where: short stacking energy: -182.516 Base-Backbone interact. energy: -0.598 local terms energy: -249.956904 where: bonds (distance) C4'-P energy: -58.049 bonds (distance) P-C4' energy: -62.495 flat angles C4'-P-C4' energy: -58.749 flat angles P-C4'-P energy: -38.971 tors. eta vs tors. theta energy: -31.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -458.514763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.514763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.514763 (E_RNA) where: Base-Base interactions energy: -235.109 where: short stacking energy: -172.919 Base-Backbone interact. energy: -1.851 local terms energy: -221.555291 where: bonds (distance) C4'-P energy: -51.955 bonds (distance) P-C4' energy: -61.780 flat angles C4'-P-C4' energy: -50.698 flat angles P-C4'-P energy: -27.250 tors. eta vs tors. theta energy: -29.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -453.168449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.168449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.168449 (E_RNA) where: Base-Base interactions energy: -230.553 where: short stacking energy: -159.553 Base-Backbone interact. energy: -1.320 local terms energy: -221.295804 where: bonds (distance) C4'-P energy: -55.547 bonds (distance) P-C4' energy: -56.134 flat angles C4'-P-C4' energy: -48.231 flat angles P-C4'-P energy: -30.436 tors. eta vs tors. theta energy: -30.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -341.891061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.891061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.891061 (E_RNA) where: Base-Base interactions energy: -149.400 where: short stacking energy: -112.587 Base-Backbone interact. energy: -0.503 local terms energy: -191.987784 where: bonds (distance) C4'-P energy: -44.043 bonds (distance) P-C4' energy: -61.944 flat angles C4'-P-C4' energy: -57.268 flat angles P-C4'-P energy: -27.258 tors. eta vs tors. theta energy: -1.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -327.042280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.042280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.042280 (E_RNA) where: Base-Base interactions energy: -131.034 where: short stacking energy: -115.640 Base-Backbone interact. energy: -0.157 local terms energy: -195.851696 where: bonds (distance) C4'-P energy: -49.370 bonds (distance) P-C4' energy: -52.428 flat angles C4'-P-C4' energy: -59.028 flat angles P-C4'-P energy: -29.120 tors. eta vs tors. theta energy: -5.906 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: 5 Temperature: 1.350000 Total energy: -342.642863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.642863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.642863 (E_RNA) where: Base-Base interactions energy: -175.506 where: short stacking energy: -80.689 Base-Backbone interact. energy: -3.677 local terms energy: -163.459757 where: bonds (distance) C4'-P energy: -46.725 bonds (distance) P-C4' energy: -64.777 flat angles C4'-P-C4' energy: -36.477 flat angles P-C4'-P energy: -28.829 tors. eta vs tors. theta energy: 13.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -780.364250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.364250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.364250 (E_RNA) where: Base-Base interactions energy: -481.889 where: short stacking energy: -255.552 Base-Backbone interact. energy: -1.317 local terms energy: -297.157927 where: bonds (distance) C4'-P energy: -64.645 bonds (distance) P-C4' energy: -62.107 flat angles C4'-P-C4' energy: -67.127 flat angles P-C4'-P energy: -45.936 tors. eta vs tors. theta energy: -57.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -688.748771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.748771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.748771 (E_RNA) where: Base-Base interactions energy: -392.509 where: short stacking energy: -274.945 Base-Backbone interact. energy: -1.042 local terms energy: -295.197779 where: bonds (distance) C4'-P energy: -61.992 bonds (distance) P-C4' energy: -67.557 flat angles C4'-P-C4' energy: -54.744 flat angles P-C4'-P energy: -45.769 tors. eta vs tors. theta energy: -65.136 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: 7 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -737.782735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.782735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.782735 (E_RNA) where: Base-Base interactions energy: -448.337 where: short stacking energy: -259.835 Base-Backbone interact. energy: -1.092 local terms energy: -288.353679 where: bonds (distance) C4'-P energy: -63.390 bonds (distance) P-C4' energy: -62.749 flat angles C4'-P-C4' energy: -65.542 flat angles P-C4'-P energy: -31.422 tors. eta vs tors. theta energy: -65.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -612.129603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.129603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.129603 (E_RNA) where: Base-Base interactions energy: -340.500 where: short stacking energy: -216.013 Base-Backbone interact. energy: -3.352 local terms energy: -268.278375 where: bonds (distance) C4'-P energy: -48.899 bonds (distance) P-C4' energy: -64.410 flat angles C4'-P-C4' energy: -63.532 flat angles P-C4'-P energy: -37.473 tors. eta vs tors. theta energy: -53.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -526.045613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.045613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.045613 (E_RNA) where: Base-Base interactions energy: -266.365 where: short stacking energy: -185.380 Base-Backbone interact. energy: -0.068 local terms energy: -259.613379 where: bonds (distance) C4'-P energy: -66.565 bonds (distance) P-C4' energy: -63.027 flat angles C4'-P-C4' energy: -56.375 flat angles P-C4'-P energy: -36.040 tors. eta vs tors. theta energy: -37.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -531.729353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.729353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.729353 (E_RNA) where: Base-Base interactions energy: -272.710 where: short stacking energy: -173.872 Base-Backbone interact. energy: -0.712 local terms energy: -258.307401 where: bonds (distance) C4'-P energy: -70.048 bonds (distance) P-C4' energy: -57.122 flat angles C4'-P-C4' energy: -68.034 flat angles P-C4'-P energy: -29.756 tors. eta vs tors. theta energy: -33.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -488.655001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.655001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.655001 (E_RNA) where: Base-Base interactions energy: -268.535 where: short stacking energy: -154.580 Base-Backbone interact. energy: -0.849 local terms energy: -219.271369 where: bonds (distance) C4'-P energy: -60.680 bonds (distance) P-C4' energy: -58.801 flat angles C4'-P-C4' energy: -46.605 flat angles P-C4'-P energy: -32.985 tors. eta vs tors. theta energy: -20.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -419.203062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.203062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.203062 (E_RNA) where: Base-Base interactions energy: -193.736 where: short stacking energy: -140.186 Base-Backbone interact. energy: -0.331 local terms energy: -225.135955 where: bonds (distance) C4'-P energy: -41.557 bonds (distance) P-C4' energy: -63.582 flat angles C4'-P-C4' energy: -57.092 flat angles P-C4'-P energy: -37.236 tors. eta vs tors. theta energy: -25.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -372.532458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.532458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.532458 (E_RNA) where: Base-Base interactions energy: -185.956 where: short stacking energy: -125.547 Base-Backbone interact. energy: -0.146 local terms energy: -186.430515 where: bonds (distance) C4'-P energy: -55.158 bonds (distance) P-C4' energy: -55.871 flat angles C4'-P-C4' energy: -37.457 flat angles P-C4'-P energy: -34.340 tors. eta vs tors. theta energy: -3.605 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: 6 Temperature: 1.350000 Total energy: -352.622956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.622956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.622956 (E_RNA) where: Base-Base interactions energy: -190.906 where: short stacking energy: -113.958 Base-Backbone interact. energy: 2.708 local terms energy: -164.425530 where: bonds (distance) C4'-P energy: -43.669 bonds (distance) P-C4' energy: -47.692 flat angles C4'-P-C4' energy: -49.311 flat angles P-C4'-P energy: -27.015 tors. eta vs tors. theta energy: 3.261 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: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -785.628583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.628583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.628583 (E_RNA) where: Base-Base interactions energy: -507.855 where: short stacking energy: -263.633 Base-Backbone interact. energy: 0.290 local terms energy: -278.063536 where: bonds (distance) C4'-P energy: -53.506 bonds (distance) P-C4' energy: -67.110 flat angles C4'-P-C4' energy: -61.271 flat angles P-C4'-P energy: -43.706 tors. eta vs tors. theta energy: -52.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -822.403635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.403635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.403635 (E_RNA) where: Base-Base interactions energy: -502.012 where: short stacking energy: -271.544 Base-Backbone interact. energy: -0.824 local terms energy: -319.567074 where: bonds (distance) C4'-P energy: -64.483 bonds (distance) P-C4' energy: -60.594 flat angles C4'-P-C4' energy: -66.111 flat angles P-C4'-P energy: -55.962 tors. eta vs tors. theta energy: -72.417 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: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -638.581105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.581105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.581105 (E_RNA) where: Base-Base interactions energy: -363.892 where: short stacking energy: -229.128 Base-Backbone interact. energy: 0.299 local terms energy: -274.987989 where: bonds (distance) C4'-P energy: -57.455 bonds (distance) P-C4' energy: -55.242 flat angles C4'-P-C4' energy: -71.007 flat angles P-C4'-P energy: -41.546 tors. eta vs tors. theta energy: -49.738 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: 3 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -616.583650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.583650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.583650 (E_RNA) where: Base-Base interactions energy: -362.041 where: short stacking energy: -180.564 Base-Backbone interact. energy: -1.162 local terms energy: -253.380832 where: bonds (distance) C4'-P energy: -59.133 bonds (distance) P-C4' energy: -59.893 flat angles C4'-P-C4' energy: -62.238 flat angles P-C4'-P energy: -39.240 tors. eta vs tors. theta energy: -32.877 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: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -522.404241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.404241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.404241 (E_RNA) where: Base-Base interactions energy: -283.820 where: short stacking energy: -189.611 Base-Backbone interact. energy: -0.404 local terms energy: -238.180822 where: bonds (distance) C4'-P energy: -43.525 bonds (distance) P-C4' energy: -65.195 flat angles C4'-P-C4' energy: -59.106 flat angles P-C4'-P energy: -40.043 tors. eta vs tors. theta energy: -30.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -534.655743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.655743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.655743 (E_RNA) where: Base-Base interactions energy: -297.921 where: short stacking energy: -158.347 Base-Backbone interact. energy: -0.290 local terms energy: -236.444889 where: bonds (distance) C4'-P energy: -59.896 bonds (distance) P-C4' energy: -53.164 flat angles C4'-P-C4' energy: -60.823 flat angles P-C4'-P energy: -33.112 tors. eta vs tors. theta energy: -29.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -478.648816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.648816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.648816 (E_RNA) where: Base-Base interactions energy: -258.245 where: short stacking energy: -151.444 Base-Backbone interact. energy: -0.945 local terms energy: -219.458343 where: bonds (distance) C4'-P energy: -53.245 bonds (distance) P-C4' energy: -66.408 flat angles C4'-P-C4' energy: -46.061 flat angles P-C4'-P energy: -32.813 tors. eta vs tors. theta energy: -20.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -381.100651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.100651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.100651 (E_RNA) where: Base-Base interactions energy: -167.225 where: short stacking energy: -115.000 Base-Backbone interact. energy: 1.985 local terms energy: -215.861335 where: bonds (distance) C4'-P energy: -60.043 bonds (distance) P-C4' energy: -55.620 flat angles C4'-P-C4' energy: -67.222 flat angles P-C4'-P energy: -37.394 tors. eta vs tors. theta energy: 4.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -384.920004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.920004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.920004 (E_RNA) where: Base-Base interactions energy: -199.066 where: short stacking energy: -140.961 Base-Backbone interact. energy: -1.107 local terms energy: -184.746919 where: bonds (distance) C4'-P energy: -50.091 bonds (distance) P-C4' energy: -51.125 flat angles C4'-P-C4' energy: -45.465 flat angles P-C4'-P energy: -25.873 tors. eta vs tors. theta energy: -12.193 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: 7 Temperature: 1.350000 Total energy: -350.692428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.692428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.692428 (E_RNA) where: Base-Base interactions energy: -165.008 where: short stacking energy: -120.702 Base-Backbone interact. energy: -0.294 local terms energy: -185.390483 where: bonds (distance) C4'-P energy: -55.918 bonds (distance) P-C4' energy: -44.499 flat angles C4'-P-C4' energy: -41.805 flat angles P-C4'-P energy: -40.073 tors. eta vs tors. theta energy: -3.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -891.231952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.231952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.231952 (E_RNA) where: Base-Base interactions energy: -569.954 where: short stacking energy: -308.604 Base-Backbone interact. energy: 1.353 local terms energy: -322.630775 where: bonds (distance) C4'-P energy: -66.018 bonds (distance) P-C4' energy: -57.561 flat angles C4'-P-C4' energy: -74.199 flat angles P-C4'-P energy: -44.875 tors. eta vs tors. theta energy: -79.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -779.649820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.649820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.649820 (E_RNA) where: Base-Base interactions energy: -488.814 where: short stacking energy: -259.164 Base-Backbone interact. energy: -0.201 local terms energy: -290.635539 where: bonds (distance) C4'-P energy: -58.490 bonds (distance) P-C4' energy: -63.693 flat angles C4'-P-C4' energy: -70.302 flat angles P-C4'-P energy: -43.818 tors. eta vs tors. theta energy: -54.332 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: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -829.617246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.617246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.617246 (E_RNA) where: Base-Base interactions energy: -539.174 where: short stacking energy: -268.118 Base-Backbone interact. energy: 0.467 local terms energy: -290.910357 where: bonds (distance) C4'-P energy: -65.565 bonds (distance) P-C4' energy: -57.222 flat angles C4'-P-C4' energy: -53.722 flat angles P-C4'-P energy: -45.858 tors. eta vs tors. theta energy: -68.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -601.338148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.338148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.338148 (E_RNA) where: Base-Base interactions energy: -334.903 where: short stacking energy: -203.769 Base-Backbone interact. energy: -0.596 local terms energy: -265.839145 where: bonds (distance) C4'-P energy: -55.211 bonds (distance) P-C4' energy: -50.767 flat angles C4'-P-C4' energy: -66.085 flat angles P-C4'-P energy: -44.797 tors. eta vs tors. theta energy: -48.980 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: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -623.620819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.620819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.620819 (E_RNA) where: Base-Base interactions energy: -404.478 where: short stacking energy: -188.024 Base-Backbone interact. energy: -1.508 local terms energy: -217.634957 where: bonds (distance) C4'-P energy: -49.879 bonds (distance) P-C4' energy: -59.167 flat angles C4'-P-C4' energy: -57.183 flat angles P-C4'-P energy: -36.120 tors. eta vs tors. theta energy: -15.287 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: 4 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -469.244968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.244968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.244968 (E_RNA) where: Base-Base interactions energy: -236.521 where: short stacking energy: -129.739 Base-Backbone interact. energy: -1.091 local terms energy: -231.633072 where: bonds (distance) C4'-P energy: -63.654 bonds (distance) P-C4' energy: -59.062 flat angles C4'-P-C4' energy: -63.156 flat angles P-C4'-P energy: -25.062 tors. eta vs tors. theta energy: -20.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -460.070371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.070371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.070371 (E_RNA) where: Base-Base interactions energy: -244.122 where: short stacking energy: -162.764 Base-Backbone interact. energy: -0.080 local terms energy: -215.868269 where: bonds (distance) C4'-P energy: -68.661 bonds (distance) P-C4' energy: -52.783 flat angles C4'-P-C4' energy: -52.792 flat angles P-C4'-P energy: -32.127 tors. eta vs tors. theta energy: -9.506 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: 5 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -440.002962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.002962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.002962 (E_RNA) where: Base-Base interactions energy: -233.918 where: short stacking energy: -124.596 Base-Backbone interact. energy: -1.410 local terms energy: -204.675228 where: bonds (distance) C4'-P energy: -60.480 bonds (distance) P-C4' energy: -50.512 flat angles C4'-P-C4' energy: -57.694 flat angles P-C4'-P energy: -35.838 tors. eta vs tors. theta energy: -0.151 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: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -390.593667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.593667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.593667 (E_RNA) where: Base-Base interactions energy: -210.495 where: short stacking energy: -118.092 Base-Backbone interact. energy: 0.679 local terms energy: -180.778106 where: bonds (distance) C4'-P energy: -42.110 bonds (distance) P-C4' energy: -57.901 flat angles C4'-P-C4' energy: -47.343 flat angles P-C4'-P energy: -31.643 tors. eta vs tors. theta energy: -1.781 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: 8 Temperature: 1.350000 Total energy: -380.944074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.944074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.944074 (E_RNA) where: Base-Base interactions energy: -189.246 where: short stacking energy: -99.687 Base-Backbone interact. energy: -2.452 local terms energy: -189.245933 where: bonds (distance) C4'-P energy: -52.981 bonds (distance) P-C4' energy: -50.062 flat angles C4'-P-C4' energy: -52.271 flat angles P-C4'-P energy: -35.114 tors. eta vs tors. theta energy: 1.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -899.120579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.120579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.120579 (E_RNA) where: Base-Base interactions energy: -565.631 where: short stacking energy: -290.310 Base-Backbone interact. energy: 0.889 local terms energy: -334.378039 where: bonds (distance) C4'-P energy: -67.655 bonds (distance) P-C4' energy: -70.328 flat angles C4'-P-C4' energy: -70.775 flat angles P-C4'-P energy: -46.430 tors. eta vs tors. theta energy: -79.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -850.142785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.142785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.142785 (E_RNA) where: Base-Base interactions energy: -542.697 where: short stacking energy: -281.886 Base-Backbone interact. energy: -2.414 local terms energy: -305.032248 where: bonds (distance) C4'-P energy: -58.011 bonds (distance) P-C4' energy: -67.653 flat angles C4'-P-C4' energy: -64.658 flat angles P-C4'-P energy: -44.187 tors. eta vs tors. theta energy: -70.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -777.387786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.387786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.387786 (E_RNA) where: Base-Base interactions energy: -512.028 where: short stacking energy: -222.796 Base-Backbone interact. energy: -2.225 local terms energy: -263.133952 where: bonds (distance) C4'-P energy: -58.163 bonds (distance) P-C4' energy: -56.326 flat angles C4'-P-C4' energy: -61.920 flat angles P-C4'-P energy: -42.894 tors. eta vs tors. theta energy: -43.831 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: 6 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -680.542386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.542386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.542386 (E_RNA) where: Base-Base interactions energy: -434.191 where: short stacking energy: -199.390 Base-Backbone interact. energy: -1.404 local terms energy: -244.947378 where: bonds (distance) C4'-P energy: -57.673 bonds (distance) P-C4' energy: -60.650 flat angles C4'-P-C4' energy: -55.565 flat angles P-C4'-P energy: -42.094 tors. eta vs tors. theta energy: -28.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -562.522970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.522970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.522970 (E_RNA) where: Base-Base interactions energy: -317.139 where: short stacking energy: -203.535 Base-Backbone interact. energy: 3.329 local terms energy: -248.713247 where: bonds (distance) C4'-P energy: -68.003 bonds (distance) P-C4' energy: -50.870 flat angles C4'-P-C4' energy: -57.228 flat angles P-C4'-P energy: -28.955 tors. eta vs tors. theta energy: -43.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -515.166940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.166940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.166940 (E_RNA) where: Base-Base interactions energy: -291.778 where: short stacking energy: -158.141 Base-Backbone interact. energy: -1.603 local terms energy: -221.785708 where: bonds (distance) C4'-P energy: -48.598 bonds (distance) P-C4' energy: -64.240 flat angles C4'-P-C4' energy: -57.103 flat angles P-C4'-P energy: -35.358 tors. eta vs tors. theta energy: -16.487 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: 9 Temperature: 1.200000 Total energy: -388.998924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.998924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.998924 (E_RNA) where: Base-Base interactions energy: -179.351 where: short stacking energy: -131.738 Base-Backbone interact. energy: -1.400 local terms energy: -208.247413 where: bonds (distance) C4'-P energy: -56.890 bonds (distance) P-C4' energy: -55.769 flat angles C4'-P-C4' energy: -56.665 flat angles P-C4'-P energy: -30.183 tors. eta vs tors. theta energy: -8.740 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: 5 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -534.101526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.101526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.101526 (E_RNA) where: Base-Base interactions energy: -305.345 where: short stacking energy: -164.356 Base-Backbone interact. energy: 2.007 local terms energy: -230.764092 where: bonds (distance) C4'-P energy: -56.812 bonds (distance) P-C4' energy: -52.514 flat angles C4'-P-C4' energy: -60.434 flat angles P-C4'-P energy: -36.279 tors. eta vs tors. theta energy: -24.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -374.064038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.064038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.064038 (E_RNA) where: Base-Base interactions energy: -179.870 where: short stacking energy: -124.895 Base-Backbone interact. energy: 2.564 local terms energy: -196.758007 where: bonds (distance) C4'-P energy: -46.571 bonds (distance) P-C4' energy: -60.067 flat angles C4'-P-C4' energy: -60.326 flat angles P-C4'-P energy: -17.562 tors. eta vs tors. theta energy: -12.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -376.243027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.243027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.243027 (E_RNA) where: Base-Base interactions energy: -190.635 where: short stacking energy: -107.328 Base-Backbone interact. energy: -0.723 local terms energy: -184.884839 where: bonds (distance) C4'-P energy: -61.854 bonds (distance) P-C4' energy: -51.024 flat angles C4'-P-C4' energy: -41.712 flat angles P-C4'-P energy: -34.357 tors. eta vs tors. theta energy: 4.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -928.306944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.306944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.306944 (E_RNA) where: Base-Base interactions energy: -610.950 where: short stacking energy: -312.052 Base-Backbone interact. energy: -1.872 local terms energy: -315.484830 where: bonds (distance) C4'-P energy: -55.263 bonds (distance) P-C4' energy: -54.772 flat angles C4'-P-C4' energy: -73.223 flat angles P-C4'-P energy: -48.683 tors. eta vs tors. theta energy: -83.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -850.435645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.435645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.435645 (E_RNA) where: Base-Base interactions energy: -552.452 where: short stacking energy: -283.532 Base-Backbone interact. energy: -0.567 local terms energy: -297.417192 where: bonds (distance) C4'-P energy: -56.322 bonds (distance) P-C4' energy: -59.164 flat angles C4'-P-C4' energy: -70.432 flat angles P-C4'-P energy: -44.139 tors. eta vs tors. theta energy: -67.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -753.989210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.989210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.989210 (E_RNA) where: Base-Base interactions energy: -482.400 where: short stacking energy: -210.538 Base-Backbone interact. energy: -1.995 local terms energy: -269.595137 where: bonds (distance) C4'-P energy: -57.987 bonds (distance) P-C4' energy: -62.695 flat angles C4'-P-C4' energy: -75.058 flat angles P-C4'-P energy: -40.633 tors. eta vs tors. theta energy: -33.221 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: 6 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -758.187006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.187006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.187006 (E_RNA) where: Base-Base interactions energy: -476.292 where: short stacking energy: -254.751 Base-Backbone interact. energy: -0.269 local terms energy: -281.626409 where: bonds (distance) C4'-P energy: -66.357 bonds (distance) P-C4' energy: -48.252 flat angles C4'-P-C4' energy: -62.837 flat angles P-C4'-P energy: -46.472 tors. eta vs tors. theta energy: -57.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -672.881334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.881334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.881334 (E_RNA) where: Base-Base interactions energy: -411.338 where: short stacking energy: -200.166 Base-Backbone interact. energy: -1.776 local terms energy: -259.768139 where: bonds (distance) C4'-P energy: -55.337 bonds (distance) P-C4' energy: -63.505 flat angles C4'-P-C4' energy: -64.849 flat angles P-C4'-P energy: -22.175 tors. eta vs tors. theta energy: -53.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -552.265705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.265705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.265705 (E_RNA) where: Base-Base interactions energy: -306.084 where: short stacking energy: -183.751 Base-Backbone interact. energy: -1.370 local terms energy: -244.811202 where: bonds (distance) C4'-P energy: -65.130 bonds (distance) P-C4' energy: -40.784 flat angles C4'-P-C4' energy: -57.227 flat angles P-C4'-P energy: -44.192 tors. eta vs tors. theta energy: -37.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -627.271935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.271935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.271935 (E_RNA) where: Base-Base interactions energy: -383.768 where: short stacking energy: -185.744 Base-Backbone interact. energy: -1.585 local terms energy: -241.919141 where: bonds (distance) C4'-P energy: -52.746 bonds (distance) P-C4' energy: -54.851 flat angles C4'-P-C4' energy: -65.216 flat angles P-C4'-P energy: -35.325 tors. eta vs tors. theta energy: -33.781 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: 4 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -348.422322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.422322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.422322 (E_RNA) where: Base-Base interactions energy: -153.756 where: short stacking energy: -125.576 Base-Backbone interact. energy: 0.992 local terms energy: -195.658825 where: bonds (distance) C4'-P energy: -56.093 bonds (distance) P-C4' energy: -55.057 flat angles C4'-P-C4' energy: -45.114 flat angles P-C4'-P energy: -24.956 tors. eta vs tors. theta energy: -14.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -425.545277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.545277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.545277 (E_RNA) where: Base-Base interactions energy: -230.319 where: short stacking energy: -132.217 Base-Backbone interact. energy: 0.553 local terms energy: -195.778935 where: bonds (distance) C4'-P energy: -53.971 bonds (distance) P-C4' energy: -47.823 flat angles C4'-P-C4' energy: -47.453 flat angles P-C4'-P energy: -34.853 tors. eta vs tors. theta energy: -11.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -378.543918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.543918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.543918 (E_RNA) where: Base-Base interactions energy: -211.520 where: short stacking energy: -119.770 Base-Backbone interact. energy: 1.412 local terms energy: -168.436324 where: bonds (distance) C4'-P energy: -48.733 bonds (distance) P-C4' energy: -45.604 flat angles C4'-P-C4' energy: -49.922 flat angles P-C4'-P energy: -25.254 tors. eta vs tors. theta energy: 1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -956.452153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.452153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.452153 (E_RNA) where: Base-Base interactions energy: -609.737 where: short stacking energy: -339.390 Base-Backbone interact. energy: -1.030 local terms energy: -345.684867 where: bonds (distance) C4'-P energy: -73.997 bonds (distance) P-C4' energy: -68.753 flat angles C4'-P-C4' energy: -62.760 flat angles P-C4'-P energy: -49.163 tors. eta vs tors. theta energy: -91.012 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: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -866.402236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.402236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.402236 (E_RNA) where: Base-Base interactions energy: -555.218 where: short stacking energy: -271.440 Base-Backbone interact. energy: -0.498 local terms energy: -310.686721 where: bonds (distance) C4'-P energy: -61.315 bonds (distance) P-C4' energy: -73.447 flat angles C4'-P-C4' energy: -61.474 flat angles P-C4'-P energy: -45.432 tors. eta vs tors. theta energy: -69.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -704.014058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.014058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.014058 (E_RNA) where: Base-Base interactions energy: -436.631 where: short stacking energy: -210.650 Base-Backbone interact. energy: -1.089 local terms energy: -266.293273 where: bonds (distance) C4'-P energy: -65.765 bonds (distance) P-C4' energy: -70.397 flat angles C4'-P-C4' energy: -64.868 flat angles P-C4'-P energy: -37.467 tors. eta vs tors. theta energy: -27.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -746.772918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.772918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.772918 (E_RNA) where: Base-Base interactions energy: -469.776 where: short stacking energy: -218.988 Base-Backbone interact. energy: -1.229 local terms energy: -275.768246 where: bonds (distance) C4'-P energy: -58.157 bonds (distance) P-C4' energy: -66.687 flat angles C4'-P-C4' energy: -61.118 flat angles P-C4'-P energy: -40.575 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: 5, replica: 9 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -665.090830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.090830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.090830 (E_RNA) where: Base-Base interactions energy: -396.649 where: short stacking energy: -221.814 Base-Backbone interact. energy: -0.180 local terms energy: -268.261801 where: bonds (distance) C4'-P energy: -64.289 bonds (distance) P-C4' energy: -61.410 flat angles C4'-P-C4' energy: -62.438 flat angles P-C4'-P energy: -36.321 tors. eta vs tors. theta energy: -43.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -677.532600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.532600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.532600 (E_RNA) where: Base-Base interactions energy: -406.358 where: short stacking energy: -213.310 Base-Backbone interact. energy: 1.130 local terms energy: -272.304317 where: bonds (distance) C4'-P energy: -55.839 bonds (distance) P-C4' energy: -56.868 flat angles C4'-P-C4' energy: -67.113 flat angles P-C4'-P energy: -47.996 tors. eta vs tors. theta energy: -44.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -492.536338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.536338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.536338 (E_RNA) where: Base-Base interactions energy: -279.795 where: short stacking energy: -155.962 Base-Backbone interact. energy: 2.176 local terms energy: -214.917730 where: bonds (distance) C4'-P energy: -63.319 bonds (distance) P-C4' energy: -57.565 flat angles C4'-P-C4' energy: -42.421 flat angles P-C4'-P energy: -39.050 tors. eta vs tors. theta energy: -12.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -460.661784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.661784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.661784 (E_RNA) where: Base-Base interactions energy: -255.989 where: short stacking energy: -128.737 Base-Backbone interact. energy: 0.513 local terms energy: -205.185775 where: bonds (distance) C4'-P energy: -62.458 bonds (distance) P-C4' energy: -62.516 flat angles C4'-P-C4' energy: -40.692 flat angles P-C4'-P energy: -32.028 tors. eta vs tors. theta energy: -7.491 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: 9, replica: 4 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -396.569281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.569281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.569281 (E_RNA) where: Base-Base interactions energy: -222.225 where: short stacking energy: -127.788 Base-Backbone interact. energy: 1.480 local terms energy: -175.824107 where: bonds (distance) C4'-P energy: -46.748 bonds (distance) P-C4' energy: -48.399 flat angles C4'-P-C4' energy: -52.588 flat angles P-C4'-P energy: -33.778 tors. eta vs tors. theta energy: 5.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -368.778925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.778925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.778925 (E_RNA) where: Base-Base interactions energy: -169.032 where: short stacking energy: -97.277 Base-Backbone interact. energy: -1.101 local terms energy: -198.645255 where: bonds (distance) C4'-P energy: -63.556 bonds (distance) P-C4' energy: -57.086 flat angles C4'-P-C4' energy: -48.502 flat angles P-C4'-P energy: -23.055 tors. eta vs tors. theta energy: -6.446 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: 7 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -944.214505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.214505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.214505 (E_RNA) where: Base-Base interactions energy: -604.401 where: short stacking energy: -315.102 Base-Backbone interact. energy: 0.649 local terms energy: -340.462303 where: bonds (distance) C4'-P energy: -66.677 bonds (distance) P-C4' energy: -76.585 flat angles C4'-P-C4' energy: -67.634 flat angles P-C4'-P energy: -50.231 tors. eta vs tors. theta energy: -79.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -915.009605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.009605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.009605 (E_RNA) where: Base-Base interactions energy: -599.622 where: short stacking energy: -282.189 Base-Backbone interact. energy: -0.905 local terms energy: -314.483055 where: bonds (distance) C4'-P energy: -68.146 bonds (distance) P-C4' energy: -66.316 flat angles C4'-P-C4' energy: -64.215 flat angles P-C4'-P energy: -39.870 tors. eta vs tors. theta energy: -75.935 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: 3, replica: 6 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -786.312940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.312940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.312940 (E_RNA) where: Base-Base interactions energy: -510.175 where: short stacking energy: -222.995 Base-Backbone interact. energy: -2.547 local terms energy: -273.590165 where: bonds (distance) C4'-P energy: -61.312 bonds (distance) P-C4' energy: -58.267 flat angles C4'-P-C4' energy: -65.630 flat angles P-C4'-P energy: -37.766 tors. eta vs tors. theta energy: -50.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -722.368981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.368981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.368981 (E_RNA) where: Base-Base interactions energy: -461.813 where: short stacking energy: -213.418 Base-Backbone interact. energy: -3.308 local terms energy: -257.247613 where: bonds (distance) C4'-P energy: -60.578 bonds (distance) P-C4' energy: -62.580 flat angles C4'-P-C4' energy: -65.190 flat angles P-C4'-P energy: -38.016 tors. eta vs tors. theta energy: -30.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -709.672208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.672208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.672208 (E_RNA) where: Base-Base interactions energy: -437.554 where: short stacking energy: -224.915 Base-Backbone interact. energy: -2.354 local terms energy: -269.764129 where: bonds (distance) C4'-P energy: -64.684 bonds (distance) P-C4' energy: -55.097 flat angles C4'-P-C4' energy: -56.428 flat angles P-C4'-P energy: -34.433 tors. eta vs tors. theta energy: -59.121 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: 6, replica: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -735.135819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.135819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.135819 (E_RNA) where: Base-Base interactions energy: -485.766 where: short stacking energy: -228.836 Base-Backbone interact. energy: -2.525 local terms energy: -246.844146 where: bonds (distance) C4'-P energy: -51.941 bonds (distance) P-C4' energy: -56.035 flat angles C4'-P-C4' energy: -58.557 flat angles P-C4'-P energy: -38.423 tors. eta vs tors. theta energy: -41.888 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: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -556.413955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.413955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.413955 (E_RNA) where: Base-Base interactions energy: -322.399 where: short stacking energy: -174.446 Base-Backbone interact. energy: -1.485 local terms energy: -232.529949 where: bonds (distance) C4'-P energy: -54.915 bonds (distance) P-C4' energy: -54.059 flat angles C4'-P-C4' energy: -55.194 flat angles P-C4'-P energy: -36.502 tors. eta vs tors. theta energy: -31.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -452.200285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.200285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.200285 (E_RNA) where: Base-Base interactions energy: -252.128 where: short stacking energy: -151.290 Base-Backbone interact. energy: -1.240 local terms energy: -198.832132 where: bonds (distance) C4'-P energy: -45.894 bonds (distance) P-C4' energy: -54.857 flat angles C4'-P-C4' energy: -50.185 flat angles P-C4'-P energy: -20.300 tors. eta vs tors. theta energy: -27.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -415.437691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.437691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.437691 (E_RNA) where: Base-Base interactions energy: -230.278 where: short stacking energy: -124.403 Base-Backbone interact. energy: -1.392 local terms energy: -183.768130 where: bonds (distance) C4'-P energy: -48.488 bonds (distance) P-C4' energy: -54.916 flat angles C4'-P-C4' energy: -51.337 flat angles P-C4'-P energy: -19.273 tors. eta vs tors. theta energy: -9.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -398.623095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.623095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.623095 (E_RNA) where: Base-Base interactions energy: -212.986 where: short stacking energy: -132.735 Base-Backbone interact. energy: -1.048 local terms energy: -184.589370 where: bonds (distance) C4'-P energy: -56.662 bonds (distance) P-C4' energy: -48.971 flat angles C4'-P-C4' energy: -48.943 flat angles P-C4'-P energy: -20.533 tors. eta vs tors. theta energy: -9.481 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: 1, replica: 7 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -971.735365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.735365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.735365 (E_RNA) where: Base-Base interactions energy: -604.810 where: short stacking energy: -335.606 Base-Backbone interact. energy: -0.885 local terms energy: -366.040282 where: bonds (distance) C4'-P energy: -67.229 bonds (distance) P-C4' energy: -72.103 flat angles C4'-P-C4' energy: -76.855 flat angles P-C4'-P energy: -53.908 tors. eta vs tors. theta energy: -95.945 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: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -926.095038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.095038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.095038 (E_RNA) where: Base-Base interactions energy: -603.262 where: short stacking energy: -289.561 Base-Backbone interact. energy: -0.765 local terms energy: -322.068732 where: bonds (distance) C4'-P energy: -55.461 bonds (distance) P-C4' energy: -71.013 flat angles C4'-P-C4' energy: -74.541 flat angles P-C4'-P energy: -50.764 tors. eta vs tors. theta energy: -70.289 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: 6 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -824.124500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.124500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.124500 (E_RNA) where: Base-Base interactions energy: -519.853 where: short stacking energy: -215.272 Base-Backbone interact. energy: -4.622 local terms energy: -299.649608 where: bonds (distance) C4'-P energy: -62.274 bonds (distance) P-C4' energy: -73.312 flat angles C4'-P-C4' energy: -67.283 flat angles P-C4'-P energy: -45.916 tors. eta vs tors. theta energy: -50.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -703.846332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.846332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.846332 (E_RNA) where: Base-Base interactions energy: -447.994 where: short stacking energy: -204.735 Base-Backbone interact. energy: -2.139 local terms energy: -253.713364 where: bonds (distance) C4'-P energy: -55.199 bonds (distance) P-C4' energy: -58.036 flat angles C4'-P-C4' energy: -59.381 flat angles P-C4'-P energy: -46.115 tors. eta vs tors. theta energy: -34.984 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: 9 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -716.120397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.120397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.120397 (E_RNA) where: Base-Base interactions energy: -469.390 where: short stacking energy: -231.726 Base-Backbone interact. energy: -2.129 local terms energy: -244.601050 where: bonds (distance) C4'-P energy: -34.949 bonds (distance) P-C4' energy: -71.972 flat angles C4'-P-C4' energy: -59.482 flat angles P-C4'-P energy: -36.496 tors. eta vs tors. theta energy: -41.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -735.423160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.423160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.423160 (E_RNA) where: Base-Base interactions energy: -495.396 where: short stacking energy: -232.822 Base-Backbone interact. energy: -3.501 local terms energy: -236.525794 where: bonds (distance) C4'-P energy: -53.898 bonds (distance) P-C4' energy: -53.997 flat angles C4'-P-C4' energy: -52.138 flat angles P-C4'-P energy: -27.973 tors. eta vs tors. theta energy: -48.520 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: 8 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -531.620566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.620566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.620566 (E_RNA) where: Base-Base interactions energy: -316.475 where: short stacking energy: -159.670 Base-Backbone interact. energy: -0.753 local terms energy: -214.392567 where: bonds (distance) C4'-P energy: -54.107 bonds (distance) P-C4' energy: -60.240 flat angles C4'-P-C4' energy: -56.360 flat angles P-C4'-P energy: -27.931 tors. eta vs tors. theta energy: -15.754 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: 4 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -442.795487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.795487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.795487 (E_RNA) where: Base-Base interactions energy: -231.750 where: short stacking energy: -126.979 Base-Backbone interact. energy: 2.740 local terms energy: -213.785329 where: bonds (distance) C4'-P energy: -53.060 bonds (distance) P-C4' energy: -61.322 flat angles C4'-P-C4' energy: -45.095 flat angles P-C4'-P energy: -38.204 tors. eta vs tors. theta energy: -16.104 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: 2 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -442.531057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.531057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.531057 (E_RNA) where: Base-Base interactions energy: -234.174 where: short stacking energy: -120.920 Base-Backbone interact. energy: -1.519 local terms energy: -206.838602 where: bonds (distance) C4'-P energy: -61.931 bonds (distance) P-C4' energy: -55.067 flat angles C4'-P-C4' energy: -48.847 flat angles P-C4'-P energy: -32.013 tors. eta vs tors. theta energy: -8.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -400.997768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.997768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.997768 (E_RNA) where: Base-Base interactions energy: -224.630 where: short stacking energy: -131.333 Base-Backbone interact. energy: 0.885 local terms energy: -177.252571 where: bonds (distance) C4'-P energy: -32.946 bonds (distance) P-C4' energy: -52.412 flat angles C4'-P-C4' energy: -53.704 flat angles P-C4'-P energy: -24.665 tors. eta vs tors. theta energy: -13.525 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: 1, replica: 7 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -995.823725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.823725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.823725 (E_RNA) where: Base-Base interactions energy: -650.440 where: short stacking energy: -342.142 Base-Backbone interact. energy: 0.796 local terms energy: -346.179719 where: bonds (distance) C4'-P energy: -66.577 bonds (distance) P-C4' energy: -66.682 flat angles C4'-P-C4' energy: -72.747 flat angles P-C4'-P energy: -45.300 tors. eta vs tors. theta energy: -94.873 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: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -961.089161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.089161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.089161 (E_RNA) where: Base-Base interactions energy: -642.583 where: short stacking energy: -292.008 Base-Backbone interact. energy: -1.222 local terms energy: -317.284855 where: bonds (distance) C4'-P energy: -61.815 bonds (distance) P-C4' energy: -60.158 flat angles C4'-P-C4' energy: -70.036 flat angles P-C4'-P energy: -49.821 tors. eta vs tors. theta energy: -75.456 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: 6 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -803.992514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.992514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.992514 (E_RNA) where: Base-Base interactions energy: -524.218 where: short stacking energy: -250.246 Base-Backbone interact. energy: -0.261 local terms energy: -279.513780 where: bonds (distance) C4'-P energy: -55.938 bonds (distance) P-C4' energy: -64.134 flat angles C4'-P-C4' energy: -63.226 flat angles P-C4'-P energy: -51.635 tors. eta vs tors. theta energy: -44.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -736.573298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.573298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.573298 (E_RNA) where: Base-Base interactions energy: -470.441 where: short stacking energy: -216.300 Base-Backbone interact. energy: -4.622 local terms energy: -261.510457 where: bonds (distance) C4'-P energy: -58.947 bonds (distance) P-C4' energy: -62.331 flat angles C4'-P-C4' energy: -56.253 flat angles P-C4'-P energy: -40.042 tors. eta vs tors. theta energy: -43.937 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: 5 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -796.678824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.678824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.678824 (E_RNA) where: Base-Base interactions energy: -519.520 where: short stacking energy: -239.721 Base-Backbone interact. energy: 0.803 local terms energy: -277.961836 where: bonds (distance) C4'-P energy: -53.293 bonds (distance) P-C4' energy: -59.813 flat angles C4'-P-C4' energy: -63.355 flat angles P-C4'-P energy: -40.637 tors. eta vs tors. theta energy: -60.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -661.986545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.986545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.986545 (E_RNA) where: Base-Base interactions energy: -424.115 where: short stacking energy: -208.808 Base-Backbone interact. energy: -0.247 local terms energy: -237.624138 where: bonds (distance) C4'-P energy: -54.521 bonds (distance) P-C4' energy: -59.173 flat angles C4'-P-C4' energy: -63.391 flat angles P-C4'-P energy: -27.669 tors. eta vs tors. theta energy: -32.871 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: 8 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -550.881937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.881937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.881937 (E_RNA) where: Base-Base interactions energy: -326.463 where: short stacking energy: -177.251 Base-Backbone interact. energy: 1.029 local terms energy: -225.447848 where: bonds (distance) C4'-P energy: -58.223 bonds (distance) P-C4' energy: -61.110 flat angles C4'-P-C4' energy: -46.855 flat angles P-C4'-P energy: -32.223 tors. eta vs tors. theta energy: -27.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -457.160907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.160907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.160907 (E_RNA) where: Base-Base interactions energy: -251.056 where: short stacking energy: -159.800 Base-Backbone interact. energy: -1.772 local terms energy: -204.332515 where: bonds (distance) C4'-P energy: -53.658 bonds (distance) P-C4' energy: -55.410 flat angles C4'-P-C4' energy: -46.291 flat angles P-C4'-P energy: -33.856 tors. eta vs tors. theta energy: -15.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -460.835526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.835526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.835526 (E_RNA) where: Base-Base interactions energy: -254.390 where: short stacking energy: -128.479 Base-Backbone interact. energy: -1.071 local terms energy: -205.374177 where: bonds (distance) C4'-P energy: -55.076 bonds (distance) P-C4' energy: -50.277 flat angles C4'-P-C4' energy: -57.778 flat angles P-C4'-P energy: -40.765 tors. eta vs tors. theta energy: -1.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -423.773390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.773390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.773390 (E_RNA) where: Base-Base interactions energy: -218.949 where: short stacking energy: -115.738 Base-Backbone interact. energy: -1.995 local terms energy: -202.829115 where: bonds (distance) C4'-P energy: -53.130 bonds (distance) P-C4' energy: -53.413 flat angles C4'-P-C4' energy: -52.732 flat angles P-C4'-P energy: -29.919 tors. eta vs tors. theta energy: -13.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -980.528151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.528151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.528151 (E_RNA) where: Base-Base interactions energy: -637.269 where: short stacking energy: -333.311 Base-Backbone interact. energy: -0.766 local terms energy: -342.492912 where: bonds (distance) C4'-P energy: -71.685 bonds (distance) P-C4' energy: -58.075 flat angles C4'-P-C4' energy: -73.800 flat angles P-C4'-P energy: -48.404 tors. eta vs tors. theta energy: -90.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -918.050070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.050070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.050070 (E_RNA) where: Base-Base interactions energy: -614.757 where: short stacking energy: -306.305 Base-Backbone interact. energy: 1.356 local terms energy: -304.648324 where: bonds (distance) C4'-P energy: -61.365 bonds (distance) P-C4' energy: -57.940 flat angles C4'-P-C4' energy: -68.043 flat angles P-C4'-P energy: -39.476 tors. eta vs tors. theta energy: -77.823 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: 6 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -818.039980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.039980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.039980 (E_RNA) where: Base-Base interactions energy: -527.079 where: short stacking energy: -245.858 Base-Backbone interact. energy: -1.268 local terms energy: -289.693222 where: bonds (distance) C4'-P energy: -57.266 bonds (distance) P-C4' energy: -71.710 flat angles C4'-P-C4' energy: -57.676 flat angles P-C4'-P energy: -47.421 tors. eta vs tors. theta energy: -55.621 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: 1 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -764.497554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.497554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.497554 (E_RNA) where: Base-Base interactions energy: -487.450 where: short stacking energy: -230.199 Base-Backbone interact. energy: -1.690 local terms energy: -275.358098 where: bonds (distance) C4'-P energy: -60.938 bonds (distance) P-C4' energy: -61.856 flat angles C4'-P-C4' energy: -63.169 flat angles P-C4'-P energy: -34.629 tors. eta vs tors. theta energy: -54.766 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: 5 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -775.061573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.061573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.061573 (E_RNA) where: Base-Base interactions energy: -523.649 where: short stacking energy: -250.262 Base-Backbone interact. energy: -1.220 local terms energy: -250.192738 where: bonds (distance) C4'-P energy: -50.523 bonds (distance) P-C4' energy: -54.732 flat angles C4'-P-C4' energy: -61.943 flat angles P-C4'-P energy: -37.650 tors. eta vs tors. theta energy: -45.345 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: 15 Temperature: 1.150000 Total energy: -689.866143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.866143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.866143 (E_RNA) where: Base-Base interactions energy: -453.554 where: short stacking energy: -240.765 Base-Backbone interact. energy: 0.431 local terms energy: -236.743281 where: bonds (distance) C4'-P energy: -48.618 bonds (distance) P-C4' energy: -56.514 flat angles C4'-P-C4' energy: -58.828 flat angles P-C4'-P energy: -21.823 tors. eta vs tors. theta energy: -50.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -567.758468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.758468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.758468 (E_RNA) where: Base-Base interactions energy: -341.053 where: short stacking energy: -184.064 Base-Backbone interact. energy: 0.174 local terms energy: -226.879205 where: bonds (distance) C4'-P energy: -58.236 bonds (distance) P-C4' energy: -55.214 flat angles C4'-P-C4' energy: -41.109 flat angles P-C4'-P energy: -38.018 tors. eta vs tors. theta energy: -34.302 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: 15 Temperature: 1.250000 Total energy: -518.655247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.655247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.655247 (E_RNA) where: Base-Base interactions energy: -304.777 where: short stacking energy: -148.651 Base-Backbone interact. energy: -0.302 local terms energy: -213.575684 where: bonds (distance) C4'-P energy: -61.068 bonds (distance) P-C4' energy: -52.586 flat angles C4'-P-C4' energy: -55.371 flat angles P-C4'-P energy: -31.884 tors. eta vs tors. theta energy: -12.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -495.901875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.901875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.901875 (E_RNA) where: Base-Base interactions energy: -299.683 where: short stacking energy: -121.570 Base-Backbone interact. energy: 0.772 local terms energy: -196.990914 where: bonds (distance) C4'-P energy: -44.265 bonds (distance) P-C4' energy: -60.721 flat angles C4'-P-C4' energy: -46.976 flat angles P-C4'-P energy: -30.209 tors. eta vs tors. theta energy: -14.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -406.322961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.322961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.322961 (E_RNA) where: Base-Base interactions energy: -219.662 where: short stacking energy: -137.363 Base-Backbone interact. energy: 6.605 local terms energy: -193.265101 where: bonds (distance) C4'-P energy: -49.579 bonds (distance) P-C4' energy: -59.730 flat angles C4'-P-C4' energy: -36.205 flat angles P-C4'-P energy: -30.643 tors. eta vs tors. theta energy: -17.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -958.143112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.143112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.143112 (E_RNA) where: Base-Base interactions energy: -622.393 where: short stacking energy: -294.756 Base-Backbone interact. energy: -0.979 local terms energy: -334.771227 where: bonds (distance) C4'-P energy: -72.264 bonds (distance) P-C4' energy: -61.853 flat angles C4'-P-C4' energy: -70.414 flat angles P-C4'-P energy: -47.997 tors. eta vs tors. theta energy: -82.244 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: 7 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -964.225469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.225469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.225469 (E_RNA) where: Base-Base interactions energy: -628.443 where: short stacking energy: -325.444 Base-Backbone interact. energy: 0.185 local terms energy: -335.967396 where: bonds (distance) C4'-P energy: -62.421 bonds (distance) P-C4' energy: -58.056 flat angles C4'-P-C4' energy: -71.837 flat angles P-C4'-P energy: -48.065 tors. eta vs tors. theta energy: -95.588 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: 6 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -847.714463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.714463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.714463 (E_RNA) where: Base-Base interactions energy: -549.356 where: short stacking energy: -256.159 Base-Backbone interact. energy: -2.124 local terms energy: -296.234884 where: bonds (distance) C4'-P energy: -58.684 bonds (distance) P-C4' energy: -67.106 flat angles C4'-P-C4' energy: -61.311 flat angles P-C4'-P energy: -51.689 tors. eta vs tors. theta energy: -57.445 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: 4, replica: 1 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -785.284969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.284969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.284969 (E_RNA) where: Base-Base interactions energy: -513.742 where: short stacking energy: -220.973 Base-Backbone interact. energy: -2.295 local terms energy: -269.247765 where: bonds (distance) C4'-P energy: -51.739 bonds (distance) P-C4' energy: -54.568 flat angles C4'-P-C4' energy: -68.334 flat angles P-C4'-P energy: -45.546 tors. eta vs tors. theta energy: -49.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -797.561005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.561005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.561005 (E_RNA) where: Base-Base interactions energy: -512.896 where: short stacking energy: -251.725 Base-Backbone interact. energy: -1.265 local terms energy: -283.400178 where: bonds (distance) C4'-P energy: -56.697 bonds (distance) P-C4' energy: -54.891 flat angles C4'-P-C4' energy: -70.668 flat angles P-C4'-P energy: -36.214 tors. eta vs tors. theta energy: -64.930 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: 9 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -652.556279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.556279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.556279 (E_RNA) where: Base-Base interactions energy: -402.601 where: short stacking energy: -194.150 Base-Backbone interact. energy: 1.531 local terms energy: -251.487213 where: bonds (distance) C4'-P energy: -56.443 bonds (distance) P-C4' energy: -57.669 flat angles C4'-P-C4' energy: -58.854 flat angles P-C4'-P energy: -43.899 tors. eta vs tors. theta energy: -34.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -559.643196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.643196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.643196 (E_RNA) where: Base-Base interactions energy: -329.074 where: short stacking energy: -179.050 Base-Backbone interact. energy: 1.664 local terms energy: -232.233337 where: bonds (distance) C4'-P energy: -59.191 bonds (distance) P-C4' energy: -52.011 flat angles C4'-P-C4' energy: -50.210 flat angles P-C4'-P energy: -40.678 tors. eta vs tors. theta energy: -30.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -567.869604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.869604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.869604 (E_RNA) where: Base-Base interactions energy: -365.432 where: short stacking energy: -184.512 Base-Backbone interact. energy: 0.012 local terms energy: -202.449127 where: bonds (distance) C4'-P energy: -55.701 bonds (distance) P-C4' energy: -37.326 flat angles C4'-P-C4' energy: -48.948 flat angles P-C4'-P energy: -31.418 tors. eta vs tors. theta energy: -29.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -507.167599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.167599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.167599 (E_RNA) where: Base-Base interactions energy: -320.248 where: short stacking energy: -132.937 Base-Backbone interact. energy: -1.596 local terms energy: -185.323469 where: bonds (distance) C4'-P energy: -49.838 bonds (distance) P-C4' energy: -44.797 flat angles C4'-P-C4' energy: -55.917 flat angles P-C4'-P energy: -23.442 tors. eta vs tors. theta energy: -11.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -423.816420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.816420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.816420 (E_RNA) where: Base-Base interactions energy: -267.611 where: short stacking energy: -129.493 Base-Backbone interact. energy: 0.691 local terms energy: -156.896601 where: bonds (distance) C4'-P energy: -32.599 bonds (distance) P-C4' energy: -42.550 flat angles C4'-P-C4' energy: -55.096 flat angles P-C4'-P energy: -18.285 tors. eta vs tors. theta energy: -8.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -958.840335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.840335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.840335 (E_RNA) where: Base-Base interactions energy: -620.971 where: short stacking energy: -312.087 Base-Backbone interact. energy: -3.027 local terms energy: -334.842286 where: bonds (distance) C4'-P energy: -70.734 bonds (distance) P-C4' energy: -67.953 flat angles C4'-P-C4' energy: -70.753 flat angles P-C4'-P energy: -47.391 tors. eta vs tors. theta energy: -78.012 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: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -965.043546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.043546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.043546 (E_RNA) where: Base-Base interactions energy: -620.131 where: short stacking energy: -328.261 Base-Backbone interact. energy: -1.072 local terms energy: -343.840145 where: bonds (distance) C4'-P energy: -58.684 bonds (distance) P-C4' energy: -73.889 flat angles C4'-P-C4' energy: -73.002 flat angles P-C4'-P energy: -48.399 tors. eta vs tors. theta energy: -89.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -841.662717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.662717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.662717 (E_RNA) where: Base-Base interactions energy: -544.083 where: short stacking energy: -230.792 Base-Backbone interact. energy: -0.523 local terms energy: -297.056387 where: bonds (distance) C4'-P energy: -63.757 bonds (distance) P-C4' energy: -68.643 flat angles C4'-P-C4' energy: -72.072 flat angles P-C4'-P energy: -41.470 tors. eta vs tors. theta energy: -51.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -846.535017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.535017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.535017 (E_RNA) where: Base-Base interactions energy: -556.042 where: short stacking energy: -268.915 Base-Backbone interact. energy: 2.677 local terms energy: -293.170164 where: bonds (distance) C4'-P energy: -45.376 bonds (distance) P-C4' energy: -64.499 flat angles C4'-P-C4' energy: -66.488 flat angles P-C4'-P energy: -47.812 tors. eta vs tors. theta energy: -68.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -803.381804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.381804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.381804 (E_RNA) where: Base-Base interactions energy: -521.705 where: short stacking energy: -253.349 Base-Backbone interact. energy: 3.705 local terms energy: -285.382442 where: bonds (distance) C4'-P energy: -62.785 bonds (distance) P-C4' energy: -55.218 flat angles C4'-P-C4' energy: -53.861 flat angles P-C4'-P energy: -45.637 tors. eta vs tors. theta energy: -67.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -682.309743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.309743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.309743 (E_RNA) where: Base-Base interactions energy: -436.459 where: short stacking energy: -212.567 Base-Backbone interact. energy: 0.047 local terms energy: -245.898280 where: bonds (distance) C4'-P energy: -52.683 bonds (distance) P-C4' energy: -63.692 flat angles C4'-P-C4' energy: -56.885 flat angles P-C4'-P energy: -33.630 tors. eta vs tors. theta energy: -39.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -549.957243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.957243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.957243 (E_RNA) where: Base-Base interactions energy: -309.796 where: short stacking energy: -186.879 Base-Backbone interact. energy: -1.081 local terms energy: -239.080170 where: bonds (distance) C4'-P energy: -57.194 bonds (distance) P-C4' energy: -45.002 flat angles C4'-P-C4' energy: -62.259 flat angles P-C4'-P energy: -37.011 tors. eta vs tors. theta energy: -37.614 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: 2 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -651.253634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.253634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.253634 (E_RNA) where: Base-Base interactions energy: -415.829 where: short stacking energy: -193.107 Base-Backbone interact. energy: -0.234 local terms energy: -235.190578 where: bonds (distance) C4'-P energy: -38.448 bonds (distance) P-C4' energy: -57.656 flat angles C4'-P-C4' energy: -56.088 flat angles P-C4'-P energy: -36.422 tors. eta vs tors. theta energy: -46.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -536.931339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.931339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.931339 (E_RNA) where: Base-Base interactions energy: -342.464 where: short stacking energy: -183.594 Base-Backbone interact. energy: 2.378 local terms energy: -196.844952 where: bonds (distance) C4'-P energy: -59.212 bonds (distance) P-C4' energy: -47.127 flat angles C4'-P-C4' energy: -45.720 flat angles P-C4'-P energy: -20.592 tors. eta vs tors. theta energy: -24.194 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: 17 Temperature: 1.350000 Total energy: -478.751698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.751698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.751698 (E_RNA) where: Base-Base interactions energy: -264.349 where: short stacking energy: -153.020 Base-Backbone interact. energy: -0.475 local terms energy: -213.927175 where: bonds (distance) C4'-P energy: -42.197 bonds (distance) P-C4' energy: -54.027 flat angles C4'-P-C4' energy: -52.500 flat angles P-C4'-P energy: -34.573 tors. eta vs tors. theta energy: -30.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -965.918297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.918297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.918297 (E_RNA) where: Base-Base interactions energy: -631.117 where: short stacking energy: -310.796 Base-Backbone interact. energy: -2.890 local terms energy: -331.911169 where: bonds (distance) C4'-P energy: -66.505 bonds (distance) P-C4' energy: -65.919 flat angles C4'-P-C4' energy: -69.813 flat angles P-C4'-P energy: -55.345 tors. eta vs tors. theta energy: -74.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -930.122513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.122513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.122513 (E_RNA) where: Base-Base interactions energy: -592.229 where: short stacking energy: -294.030 Base-Backbone interact. energy: 0.787 local terms energy: -338.680833 where: bonds (distance) C4'-P energy: -69.943 bonds (distance) P-C4' energy: -68.500 flat angles C4'-P-C4' energy: -78.249 flat angles P-C4'-P energy: -40.890 tors. eta vs tors. theta energy: -81.098 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: 18 Temperature: 1.000000 Total energy: -897.761286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.761286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.761286 (E_RNA) where: Base-Base interactions energy: -600.672 where: short stacking energy: -264.075 Base-Backbone interact. energy: -0.550 local terms energy: -296.538740 where: bonds (distance) C4'-P energy: -70.278 bonds (distance) P-C4' energy: -60.080 flat angles C4'-P-C4' energy: -64.774 flat angles P-C4'-P energy: -37.503 tors. eta vs tors. theta energy: -63.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -806.596574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.596574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.596574 (E_RNA) where: Base-Base interactions energy: -538.989 where: short stacking energy: -252.207 Base-Backbone interact. energy: -1.364 local terms energy: -266.244075 where: bonds (distance) C4'-P energy: -55.375 bonds (distance) P-C4' energy: -54.868 flat angles C4'-P-C4' energy: -64.754 flat angles P-C4'-P energy: -38.095 tors. eta vs tors. theta energy: -53.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -781.818179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.818179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.818179 (E_RNA) where: Base-Base interactions energy: -517.261 where: short stacking energy: -224.567 Base-Backbone interact. energy: -0.698 local terms energy: -263.859238 where: bonds (distance) C4'-P energy: -50.811 bonds (distance) P-C4' energy: -61.237 flat angles C4'-P-C4' energy: -59.589 flat angles P-C4'-P energy: -39.172 tors. eta vs tors. theta energy: -53.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -656.718677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.718677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.718677 (E_RNA) where: Base-Base interactions energy: -400.877 where: short stacking energy: -209.685 Base-Backbone interact. energy: 0.772 local terms energy: -256.613752 where: bonds (distance) C4'-P energy: -52.434 bonds (distance) P-C4' energy: -68.016 flat angles C4'-P-C4' energy: -59.522 flat angles P-C4'-P energy: -36.100 tors. eta vs tors. theta energy: -40.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -673.366215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.366215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.366215 (E_RNA) where: Base-Base interactions energy: -443.848 where: short stacking energy: -218.248 Base-Backbone interact. energy: -1.502 local terms energy: -228.015818 where: bonds (distance) C4'-P energy: -40.251 bonds (distance) P-C4' energy: -65.589 flat angles C4'-P-C4' energy: -43.186 flat angles P-C4'-P energy: -39.435 tors. eta vs tors. theta energy: -39.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -561.603191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.603191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.603191 (E_RNA) where: Base-Base interactions energy: -340.359 where: short stacking energy: -174.748 Base-Backbone interact. energy: -0.742 local terms energy: -220.501676 where: bonds (distance) C4'-P energy: -48.400 bonds (distance) P-C4' energy: -57.640 flat angles C4'-P-C4' energy: -46.000 flat angles P-C4'-P energy: -38.031 tors. eta vs tors. theta energy: -30.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -511.876534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.876534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.876534 (E_RNA) where: Base-Base interactions energy: -319.861 where: short stacking energy: -164.979 Base-Backbone interact. energy: 1.863 local terms energy: -193.879333 where: bonds (distance) C4'-P energy: -47.827 bonds (distance) P-C4' energy: -47.136 flat angles C4'-P-C4' energy: -49.444 flat angles P-C4'-P energy: -29.366 tors. eta vs tors. theta energy: -20.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -467.235181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.235181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.235181 (E_RNA) where: Base-Base interactions energy: -276.413 where: short stacking energy: -153.113 Base-Backbone interact. energy: -2.396 local terms energy: -188.426748 where: bonds (distance) C4'-P energy: -45.262 bonds (distance) P-C4' energy: -49.957 flat angles C4'-P-C4' energy: -54.914 flat angles P-C4'-P energy: -33.066 tors. eta vs tors. theta energy: -5.229 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: 7 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -965.484328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.484328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.484328 (E_RNA) where: Base-Base interactions energy: -629.002 where: short stacking energy: -330.580 Base-Backbone interact. energy: 0.522 local terms energy: -337.004420 where: bonds (distance) C4'-P energy: -64.913 bonds (distance) P-C4' energy: -61.184 flat angles C4'-P-C4' energy: -73.834 flat angles P-C4'-P energy: -45.001 tors. eta vs tors. theta energy: -92.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -940.762300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.762300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.762300 (E_RNA) where: Base-Base interactions energy: -618.122 where: short stacking energy: -293.675 Base-Backbone interact. energy: -1.014 local terms energy: -321.626312 where: bonds (distance) C4'-P energy: -62.806 bonds (distance) P-C4' energy: -66.702 flat angles C4'-P-C4' energy: -71.733 flat angles P-C4'-P energy: -47.203 tors. eta vs tors. theta energy: -73.183 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: 19 Temperature: 1.000000 Total energy: -906.145085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.145085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.145085 (E_RNA) where: Base-Base interactions energy: -614.395 where: short stacking energy: -252.429 Base-Backbone interact. energy: -1.197 local terms energy: -290.553215 where: bonds (distance) C4'-P energy: -50.239 bonds (distance) P-C4' energy: -67.434 flat angles C4'-P-C4' energy: -62.305 flat angles P-C4'-P energy: -46.944 tors. eta vs tors. theta energy: -63.632 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: 5 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -800.625879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.625879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.625879 (E_RNA) where: Base-Base interactions energy: -527.004 where: short stacking energy: -238.430 Base-Backbone interact. energy: -1.700 local terms energy: -271.921095 where: bonds (distance) C4'-P energy: -55.671 bonds (distance) P-C4' energy: -55.814 flat angles C4'-P-C4' energy: -71.512 flat angles P-C4'-P energy: -40.759 tors. eta vs tors. theta energy: -48.164 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: 5, replica: 1 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -724.969204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.969204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.969204 (E_RNA) where: Base-Base interactions energy: -456.954 where: short stacking energy: -220.553 Base-Backbone interact. energy: -0.422 local terms energy: -267.593293 where: bonds (distance) C4'-P energy: -59.199 bonds (distance) P-C4' energy: -55.163 flat angles C4'-P-C4' energy: -63.936 flat angles P-C4'-P energy: -42.023 tors. eta vs tors. theta energy: -47.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -741.289522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.289522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.289522 (E_RNA) where: Base-Base interactions energy: -497.405 where: short stacking energy: -223.307 Base-Backbone interact. energy: -1.105 local terms energy: -242.779389 where: bonds (distance) C4'-P energy: -50.362 bonds (distance) P-C4' energy: -55.579 flat angles C4'-P-C4' energy: -57.077 flat angles P-C4'-P energy: -39.505 tors. eta vs tors. theta energy: -40.256 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: 19 Temperature: 1.200000 Total energy: -641.566259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.566259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.566259 (E_RNA) where: Base-Base interactions energy: -383.565 where: short stacking energy: -210.680 Base-Backbone interact. energy: 0.181 local terms energy: -258.182393 where: bonds (distance) C4'-P energy: -47.656 bonds (distance) P-C4' energy: -64.867 flat angles C4'-P-C4' energy: -64.961 flat angles P-C4'-P energy: -41.831 tors. eta vs tors. theta energy: -38.867 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: 8, replica: 8 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -568.751507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.751507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.751507 (E_RNA) where: Base-Base interactions energy: -334.904 where: short stacking energy: -152.843 Base-Backbone interact. energy: 1.298 local terms energy: -235.146102 where: bonds (distance) C4'-P energy: -53.219 bonds (distance) P-C4' energy: -60.330 flat angles C4'-P-C4' energy: -62.296 flat angles P-C4'-P energy: -33.934 tors. eta vs tors. theta energy: -25.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -555.055317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.055317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.055317 (E_RNA) where: Base-Base interactions energy: -350.566 where: short stacking energy: -157.769 Base-Backbone interact. energy: 4.703 local terms energy: -209.192081 where: bonds (distance) C4'-P energy: -45.172 bonds (distance) P-C4' energy: -53.679 flat angles C4'-P-C4' energy: -52.622 flat angles P-C4'-P energy: -30.438 tors. eta vs tors. theta energy: -27.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -456.054266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.054266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.054266 (E_RNA) where: Base-Base interactions energy: -274.804 where: short stacking energy: -139.133 Base-Backbone interact. energy: 3.707 local terms energy: -184.957316 where: bonds (distance) C4'-P energy: -46.756 bonds (distance) P-C4' energy: -58.240 flat angles C4'-P-C4' energy: -43.710 flat angles P-C4'-P energy: -27.875 tors. eta vs tors. theta energy: -8.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -988.703134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.703134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.703134 (E_RNA) where: Base-Base interactions energy: -648.706 where: short stacking energy: -309.338 Base-Backbone interact. energy: -1.792 local terms energy: -338.205510 where: bonds (distance) C4'-P energy: -64.000 bonds (distance) P-C4' energy: -70.507 flat angles C4'-P-C4' energy: -72.072 flat angles P-C4'-P energy: -45.037 tors. eta vs tors. theta energy: -86.589 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: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -927.243717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.243717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.243717 (E_RNA) where: Base-Base interactions energy: -620.109 where: short stacking energy: -303.420 Base-Backbone interact. energy: -1.378 local terms energy: -305.757038 where: bonds (distance) C4'-P energy: -52.652 bonds (distance) P-C4' energy: -68.582 flat angles C4'-P-C4' energy: -71.357 flat angles P-C4'-P energy: -40.818 tors. eta vs tors. theta energy: -72.348 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: 6 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -869.246539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.246539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.246539 (E_RNA) where: Base-Base interactions energy: -564.951 where: short stacking energy: -257.302 Base-Backbone interact. energy: -1.697 local terms energy: -302.598581 where: bonds (distance) C4'-P energy: -61.741 bonds (distance) P-C4' energy: -71.194 flat angles C4'-P-C4' energy: -61.968 flat angles P-C4'-P energy: -47.747 tors. eta vs tors. theta energy: -59.949 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: 20 Temperature: 1.050000 Total energy: -861.155884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.155884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.155884 (E_RNA) where: Base-Base interactions energy: -588.413 where: short stacking energy: -268.317 Base-Backbone interact. energy: -1.711 local terms energy: -271.031343 where: bonds (distance) C4'-P energy: -55.619 bonds (distance) P-C4' energy: -63.919 flat angles C4'-P-C4' energy: -55.206 flat angles P-C4'-P energy: -30.687 tors. eta vs tors. theta energy: -65.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -732.511030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.511030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.511030 (E_RNA) where: Base-Base interactions energy: -471.310 where: short stacking energy: -223.558 Base-Backbone interact. energy: -0.719 local terms energy: -260.482104 where: bonds (distance) C4'-P energy: -54.725 bonds (distance) P-C4' energy: -56.419 flat angles C4'-P-C4' energy: -65.112 flat angles P-C4'-P energy: -37.251 tors. eta vs tors. theta energy: -46.976 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: 20 Temperature: 1.150000 Total energy: -739.571360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.571360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.571360 (E_RNA) where: Base-Base interactions energy: -477.737 where: short stacking energy: -203.473 Base-Backbone interact. energy: 0.417 local terms energy: -262.251578 where: bonds (distance) C4'-P energy: -47.259 bonds (distance) P-C4' energy: -55.328 flat angles C4'-P-C4' energy: -69.747 flat angles P-C4'-P energy: -39.304 tors. eta vs tors. theta energy: -50.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -621.257562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.257562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.257562 (E_RNA) where: Base-Base interactions energy: -390.372 where: short stacking energy: -194.204 Base-Backbone interact. energy: 0.033 local terms energy: -230.918484 where: bonds (distance) C4'-P energy: -55.418 bonds (distance) P-C4' energy: -44.397 flat angles C4'-P-C4' energy: -54.245 flat angles P-C4'-P energy: -31.204 tors. eta vs tors. theta energy: -45.653 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: 20 Temperature: 1.250000 Total energy: -548.420959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.420959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.420959 (E_RNA) where: Base-Base interactions energy: -324.373 where: short stacking energy: -154.634 Base-Backbone interact. energy: 2.972 local terms energy: -227.019719 where: bonds (distance) C4'-P energy: -56.033 bonds (distance) P-C4' energy: -55.037 flat angles C4'-P-C4' energy: -56.628 flat angles P-C4'-P energy: -38.408 tors. eta vs tors. theta energy: -20.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -561.785012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.785012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.785012 (E_RNA) where: Base-Base interactions energy: -344.041 where: short stacking energy: -155.799 Base-Backbone interact. energy: 3.946 local terms energy: -221.690479 where: bonds (distance) C4'-P energy: -49.992 bonds (distance) P-C4' energy: -61.256 flat angles C4'-P-C4' energy: -46.098 flat angles P-C4'-P energy: -34.185 tors. eta vs tors. theta energy: -30.160 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: 20 Temperature: 1.350000 Total energy: -464.357250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.357250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.357250 (E_RNA) where: Base-Base interactions energy: -281.225 where: short stacking energy: -147.936 Base-Backbone interact. energy: -1.095 local terms energy: -182.037381 where: bonds (distance) C4'-P energy: -54.503 bonds (distance) P-C4' energy: -52.474 flat angles C4'-P-C4' energy: -50.076 flat angles P-C4'-P energy: -16.813 tors. eta vs tors. theta energy: -8.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -997.027446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.027446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.027446 (E_RNA) where: Base-Base interactions energy: -658.131 where: short stacking energy: -322.456 Base-Backbone interact. energy: -1.799 local terms energy: -337.097430 where: bonds (distance) C4'-P energy: -65.453 bonds (distance) P-C4' energy: -69.352 flat angles C4'-P-C4' energy: -73.179 flat angles P-C4'-P energy: -42.219 tors. eta vs tors. theta energy: -86.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -948.618765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.618765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.618765 (E_RNA) where: Base-Base interactions energy: -638.297 where: short stacking energy: -309.813 Base-Backbone interact. energy: -0.748 local terms energy: -309.574012 where: bonds (distance) C4'-P energy: -53.258 bonds (distance) P-C4' energy: -57.431 flat angles C4'-P-C4' energy: -67.413 flat angles P-C4'-P energy: -46.670 tors. eta vs tors. theta energy: -84.802 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: 3, replica: 6 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -853.910024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.910024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.910024 (E_RNA) where: Base-Base interactions energy: -560.667 where: short stacking energy: -274.673 Base-Backbone interact. energy: -1.185 local terms energy: -292.057970 where: bonds (distance) C4'-P energy: -55.700 bonds (distance) P-C4' energy: -59.332 flat angles C4'-P-C4' energy: -64.393 flat angles P-C4'-P energy: -49.171 tors. eta vs tors. theta energy: -63.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -864.432799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.432799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.432799 (E_RNA) where: Base-Base interactions energy: -582.306 where: short stacking energy: -260.356 Base-Backbone interact. energy: -0.761 local terms energy: -281.365479 where: bonds (distance) C4'-P energy: -48.488 bonds (distance) P-C4' energy: -67.443 flat angles C4'-P-C4' energy: -63.086 flat angles P-C4'-P energy: -46.578 tors. eta vs tors. theta energy: -55.769 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: 2 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -719.879775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.879775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.879775 (E_RNA) where: Base-Base interactions energy: -469.182 where: short stacking energy: -220.907 Base-Backbone interact. energy: -0.565 local terms energy: -250.132908 where: bonds (distance) C4'-P energy: -47.981 bonds (distance) P-C4' energy: -56.486 flat angles C4'-P-C4' energy: -66.038 flat angles P-C4'-P energy: -42.396 tors. eta vs tors. theta energy: -37.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -688.789168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.789168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.789168 (E_RNA) where: Base-Base interactions energy: -442.055 where: short stacking energy: -191.052 Base-Backbone interact. energy: -1.734 local terms energy: -245.000093 where: bonds (distance) C4'-P energy: -57.081 bonds (distance) P-C4' energy: -60.724 flat angles C4'-P-C4' energy: -61.694 flat angles P-C4'-P energy: -37.389 tors. eta vs tors. theta energy: -28.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -579.270888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.270888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.270888 (E_RNA) where: Base-Base interactions energy: -345.069 where: short stacking energy: -189.427 Base-Backbone interact. energy: -0.769 local terms energy: -233.432231 where: bonds (distance) C4'-P energy: -51.946 bonds (distance) P-C4' energy: -67.617 flat angles C4'-P-C4' energy: -64.345 flat angles P-C4'-P energy: -27.692 tors. eta vs tors. theta energy: -21.831 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: 4 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -579.727395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.727395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.727395 (E_RNA) where: Base-Base interactions energy: -372.175 where: short stacking energy: -179.053 Base-Backbone interact. energy: 1.973 local terms energy: -209.525085 where: bonds (distance) C4'-P energy: -49.151 bonds (distance) P-C4' energy: -68.441 flat angles C4'-P-C4' energy: -39.262 flat angles P-C4'-P energy: -23.560 tors. eta vs tors. theta energy: -29.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -494.891103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.891103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.891103 (E_RNA) where: Base-Base interactions energy: -260.813 where: short stacking energy: -140.133 Base-Backbone interact. energy: 0.507 local terms energy: -234.584977 where: bonds (distance) C4'-P energy: -58.320 bonds (distance) P-C4' energy: -59.563 flat angles C4'-P-C4' energy: -52.320 flat angles P-C4'-P energy: -37.244 tors. eta vs tors. theta energy: -27.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -462.907751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.907751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.907751 (E_RNA) where: Base-Base interactions energy: -273.883 where: short stacking energy: -135.867 Base-Backbone interact. energy: -1.396 local terms energy: -187.629391 where: bonds (distance) C4'-P energy: -41.105 bonds (distance) P-C4' energy: -53.265 flat angles C4'-P-C4' energy: -44.163 flat angles P-C4'-P energy: -33.846 tors. eta vs tors. theta energy: -15.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -983.375679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.375679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.375679 (E_RNA) where: Base-Base interactions energy: -649.396 where: short stacking energy: -300.280 Base-Backbone interact. energy: -1.253 local terms energy: -332.726497 where: bonds (distance) C4'-P energy: -65.259 bonds (distance) P-C4' energy: -70.954 flat angles C4'-P-C4' energy: -65.751 flat angles P-C4'-P energy: -49.859 tors. eta vs tors. theta energy: -80.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -981.634917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.634917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.634917 (E_RNA) where: Base-Base interactions energy: -653.409 where: short stacking energy: -319.190 Base-Backbone interact. energy: -0.190 local terms energy: -328.035722 where: bonds (distance) C4'-P energy: -60.744 bonds (distance) P-C4' energy: -65.197 flat angles C4'-P-C4' energy: -66.950 flat angles P-C4'-P energy: -51.474 tors. eta vs tors. theta energy: -83.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -895.989805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.989805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.989805 (E_RNA) where: Base-Base interactions energy: -611.859 where: short stacking energy: -274.844 Base-Backbone interact. energy: 1.744 local terms energy: -285.875105 where: bonds (distance) C4'-P energy: -57.726 bonds (distance) P-C4' energy: -59.499 flat angles C4'-P-C4' energy: -63.334 flat angles P-C4'-P energy: -40.626 tors. eta vs tors. theta energy: -64.689 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: 6 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -837.144903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.144903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.144903 (E_RNA) where: Base-Base interactions energy: -567.583 where: short stacking energy: -274.492 Base-Backbone interact. energy: -1.799 local terms energy: -267.763055 where: bonds (distance) C4'-P energy: -58.866 bonds (distance) P-C4' energy: -50.531 flat angles C4'-P-C4' energy: -52.847 flat angles P-C4'-P energy: -36.429 tors. eta vs tors. theta energy: -69.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -752.069456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.069456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.069456 (E_RNA) where: Base-Base interactions energy: -488.478 where: short stacking energy: -235.000 Base-Backbone interact. energy: -0.933 local terms energy: -262.658906 where: bonds (distance) C4'-P energy: -61.111 bonds (distance) P-C4' energy: -59.625 flat angles C4'-P-C4' energy: -62.165 flat angles P-C4'-P energy: -28.534 tors. eta vs tors. theta energy: -51.224 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: 6, replica: 2 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -671.215652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.215652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.215652 (E_RNA) where: Base-Base interactions energy: -425.806 where: short stacking energy: -194.930 Base-Backbone interact. energy: -3.050 local terms energy: -242.360217 where: bonds (distance) C4'-P energy: -57.149 bonds (distance) P-C4' energy: -55.212 flat angles C4'-P-C4' energy: -54.243 flat angles P-C4'-P energy: -40.058 tors. eta vs tors. theta energy: -35.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -587.510263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.510263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.510263 (E_RNA) where: Base-Base interactions energy: -365.745 where: short stacking energy: -181.192 Base-Backbone interact. energy: -0.253 local terms energy: -221.511471 where: bonds (distance) C4'-P energy: -51.112 bonds (distance) P-C4' energy: -59.584 flat angles C4'-P-C4' energy: -58.450 flat angles P-C4'-P energy: -26.047 tors. eta vs tors. theta energy: -26.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -603.165796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.165796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.165796 (E_RNA) where: Base-Base interactions energy: -376.557 where: short stacking energy: -192.113 Base-Backbone interact. energy: -0.869 local terms energy: -225.739797 where: bonds (distance) C4'-P energy: -43.353 bonds (distance) P-C4' energy: -52.081 flat angles C4'-P-C4' energy: -62.464 flat angles P-C4'-P energy: -34.419 tors. eta vs tors. theta energy: -33.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -451.997411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.997411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.997411 (E_RNA) where: Base-Base interactions energy: -280.595 where: short stacking energy: -147.898 Base-Backbone interact. energy: -0.346 local terms energy: -171.056574 where: bonds (distance) C4'-P energy: -45.023 bonds (distance) P-C4' energy: -40.119 flat angles C4'-P-C4' energy: -43.002 flat angles P-C4'-P energy: -31.545 tors. eta vs tors. theta energy: -11.368 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: 22 Temperature: 1.350000 Total energy: -514.194929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.194929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.194929 (E_RNA) where: Base-Base interactions energy: -301.639 where: short stacking energy: -147.421 Base-Backbone interact. energy: -2.842 local terms energy: -209.714742 where: bonds (distance) C4'-P energy: -56.267 bonds (distance) P-C4' energy: -60.110 flat angles C4'-P-C4' energy: -50.038 flat angles P-C4'-P energy: -37.361 tors. eta vs tors. theta energy: -5.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -982.254527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.254527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.254527 (E_RNA) where: Base-Base interactions energy: -642.735 where: short stacking energy: -303.243 Base-Backbone interact. energy: -0.673 local terms energy: -338.846073 where: bonds (distance) C4'-P energy: -70.867 bonds (distance) P-C4' energy: -63.095 flat angles C4'-P-C4' energy: -74.309 flat angles P-C4'-P energy: -48.387 tors. eta vs tors. theta energy: -82.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -973.106995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.106995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.106995 (E_RNA) where: Base-Base interactions energy: -663.794 where: short stacking energy: -316.699 Base-Backbone interact. energy: -0.395 local terms energy: -308.917925 where: bonds (distance) C4'-P energy: -57.120 bonds (distance) P-C4' energy: -61.293 flat angles C4'-P-C4' energy: -61.846 flat angles P-C4'-P energy: -46.173 tors. eta vs tors. theta energy: -82.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -935.160938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.160938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.160938 (E_RNA) where: Base-Base interactions energy: -623.786 where: short stacking energy: -268.032 Base-Backbone interact. energy: -1.450 local terms energy: -309.924372 where: bonds (distance) C4'-P energy: -60.410 bonds (distance) P-C4' energy: -65.190 flat angles C4'-P-C4' energy: -68.329 flat angles P-C4'-P energy: -49.470 tors. eta vs tors. theta energy: -66.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -884.550241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.550241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.550241 (E_RNA) where: Base-Base interactions energy: -620.359 where: short stacking energy: -281.591 Base-Backbone interact. energy: -0.408 local terms energy: -263.783537 where: bonds (distance) C4'-P energy: -52.955 bonds (distance) P-C4' energy: -55.901 flat angles C4'-P-C4' energy: -56.312 flat angles P-C4'-P energy: -37.982 tors. eta vs tors. theta energy: -60.633 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: 1 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -766.786789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.786789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.786789 (E_RNA) where: Base-Base interactions energy: -498.932 where: short stacking energy: -239.394 Base-Backbone interact. energy: -2.341 local terms energy: -265.513698 where: bonds (distance) C4'-P energy: -57.751 bonds (distance) P-C4' energy: -58.625 flat angles C4'-P-C4' energy: -62.391 flat angles P-C4'-P energy: -36.507 tors. eta vs tors. theta energy: -50.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -734.837852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.837852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.837852 (E_RNA) where: Base-Base interactions energy: -493.606 where: short stacking energy: -214.201 Base-Backbone interact. energy: 0.415 local terms energy: -241.646862 where: bonds (distance) C4'-P energy: -59.458 bonds (distance) P-C4' energy: -57.929 flat angles C4'-P-C4' energy: -44.291 flat angles P-C4'-P energy: -42.377 tors. eta vs tors. theta energy: -37.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -590.417995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.417995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.417995 (E_RNA) where: Base-Base interactions energy: -366.585 where: short stacking energy: -174.949 Base-Backbone interact. energy: -0.922 local terms energy: -222.911324 where: bonds (distance) C4'-P energy: -43.736 bonds (distance) P-C4' energy: -50.166 flat angles C4'-P-C4' energy: -60.889 flat angles P-C4'-P energy: -41.478 tors. eta vs tors. theta energy: -26.642 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: 4 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -594.575550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.575550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.575550 (E_RNA) where: Base-Base interactions energy: -357.634 where: short stacking energy: -159.853 Base-Backbone interact. energy: -0.700 local terms energy: -236.241264 where: bonds (distance) C4'-P energy: -53.197 bonds (distance) P-C4' energy: -49.031 flat angles C4'-P-C4' energy: -57.135 flat angles P-C4'-P energy: -46.151 tors. eta vs tors. theta energy: -30.728 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: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -509.357539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.357539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.357539 (E_RNA) where: Base-Base interactions energy: -294.832 where: short stacking energy: -169.693 Base-Backbone interact. energy: -1.869 local terms energy: -212.656649 where: bonds (distance) C4'-P energy: -60.171 bonds (distance) P-C4' energy: -53.781 flat angles C4'-P-C4' energy: -48.152 flat angles P-C4'-P energy: -25.850 tors. eta vs tors. theta energy: -24.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -489.798711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.798711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.798711 (E_RNA) where: Base-Base interactions energy: -316.391 where: short stacking energy: -170.663 Base-Backbone interact. energy: 0.687 local terms energy: -174.094527 where: bonds (distance) C4'-P energy: -41.731 bonds (distance) P-C4' energy: -51.000 flat angles C4'-P-C4' energy: -43.754 flat angles P-C4'-P energy: -28.956 tors. eta vs tors. theta energy: -8.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -976.146808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.146808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.146808 (E_RNA) where: Base-Base interactions energy: -657.162 where: short stacking energy: -307.924 Base-Backbone interact. energy: -2.064 local terms energy: -316.921684 where: bonds (distance) C4'-P energy: -56.335 bonds (distance) P-C4' energy: -61.307 flat angles C4'-P-C4' energy: -66.933 flat angles P-C4'-P energy: -44.631 tors. eta vs tors. theta energy: -87.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1027.637148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.637148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.637148 (E_RNA) where: Base-Base interactions energy: -670.669 where: short stacking energy: -300.218 Base-Backbone interact. energy: -3.350 local terms energy: -353.617969 where: bonds (distance) C4'-P energy: -67.863 bonds (distance) P-C4' energy: -72.816 flat angles C4'-P-C4' energy: -71.572 flat angles P-C4'-P energy: -56.521 tors. eta vs tors. theta energy: -84.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -933.326142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.326142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.326142 (E_RNA) where: Base-Base interactions energy: -641.641 where: short stacking energy: -273.601 Base-Backbone interact. energy: -1.140 local terms energy: -290.544937 where: bonds (distance) C4'-P energy: -59.242 bonds (distance) P-C4' energy: -54.683 flat angles C4'-P-C4' energy: -68.359 flat angles P-C4'-P energy: -48.887 tors. eta vs tors. theta energy: -59.374 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: 6 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -921.713155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.713155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.713155 (E_RNA) where: Base-Base interactions energy: -618.962 where: short stacking energy: -265.556 Base-Backbone interact. energy: -1.647 local terms energy: -301.103284 where: bonds (distance) C4'-P energy: -65.318 bonds (distance) P-C4' energy: -61.588 flat angles C4'-P-C4' energy: -62.261 flat angles P-C4'-P energy: -41.992 tors. eta vs tors. theta energy: -69.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -766.099449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.099449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.099449 (E_RNA) where: Base-Base interactions energy: -518.686 where: short stacking energy: -228.408 Base-Backbone interact. energy: -1.457 local terms energy: -245.955830 where: bonds (distance) C4'-P energy: -53.491 bonds (distance) P-C4' energy: -59.842 flat angles C4'-P-C4' energy: -54.402 flat angles P-C4'-P energy: -35.483 tors. eta vs tors. theta energy: -42.738 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: 1 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -760.990721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.990721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.990721 (E_RNA) where: Base-Base interactions energy: -487.397 where: short stacking energy: -220.727 Base-Backbone interact. energy: 1.573 local terms energy: -275.167151 where: bonds (distance) C4'-P energy: -63.574 bonds (distance) P-C4' energy: -61.576 flat angles C4'-P-C4' energy: -59.110 flat angles P-C4'-P energy: -46.074 tors. eta vs tors. theta energy: -44.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -669.135293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.135293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.135293 (E_RNA) where: Base-Base interactions energy: -438.010 where: short stacking energy: -185.358 Base-Backbone interact. energy: -2.899 local terms energy: -228.226287 where: bonds (distance) C4'-P energy: -50.164 bonds (distance) P-C4' energy: -65.272 flat angles C4'-P-C4' energy: -57.476 flat angles P-C4'-P energy: -27.835 tors. eta vs tors. theta energy: -27.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -582.997181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.997181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.997181 (E_RNA) where: Base-Base interactions energy: -379.655 where: short stacking energy: -187.945 Base-Backbone interact. energy: 1.001 local terms energy: -204.343550 where: bonds (distance) C4'-P energy: -48.258 bonds (distance) P-C4' energy: -45.208 flat angles C4'-P-C4' energy: -52.943 flat angles P-C4'-P energy: -25.760 tors. eta vs tors. theta energy: -32.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -503.515338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.515338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.515338 (E_RNA) where: Base-Base interactions energy: -288.605 where: short stacking energy: -152.700 Base-Backbone interact. energy: 1.137 local terms energy: -216.047232 where: bonds (distance) C4'-P energy: -63.993 bonds (distance) P-C4' energy: -52.283 flat angles C4'-P-C4' energy: -46.513 flat angles P-C4'-P energy: -36.455 tors. eta vs tors. theta energy: -16.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -439.765617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.765617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.765617 (E_RNA) where: Base-Base interactions energy: -237.451 where: short stacking energy: -112.216 Base-Backbone interact. energy: 3.671 local terms energy: -205.984916 where: bonds (distance) C4'-P energy: -43.170 bonds (distance) P-C4' energy: -59.014 flat angles C4'-P-C4' energy: -57.269 flat angles P-C4'-P energy: -40.358 tors. eta vs tors. theta energy: -6.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -986.163265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.163265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.163265 (E_RNA) where: Base-Base interactions energy: -665.705 where: short stacking energy: -322.412 Base-Backbone interact. energy: -1.744 local terms energy: -318.713322 where: bonds (distance) C4'-P energy: -63.216 bonds (distance) P-C4' energy: -69.988 flat angles C4'-P-C4' energy: -62.666 flat angles P-C4'-P energy: -38.367 tors. eta vs tors. theta energy: -84.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1029.921492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.921492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.921492 (E_RNA) where: Base-Base interactions energy: -710.454 where: short stacking energy: -331.090 Base-Backbone interact. energy: -0.402 local terms energy: -319.065113 where: bonds (distance) C4'-P energy: -53.899 bonds (distance) P-C4' energy: -66.849 flat angles C4'-P-C4' energy: -65.802 flat angles P-C4'-P energy: -43.090 tors. eta vs tors. theta energy: -89.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -929.422496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.422496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.422496 (E_RNA) where: Base-Base interactions energy: -642.592 where: short stacking energy: -270.607 Base-Backbone interact. energy: -1.719 local terms energy: -285.110997 where: bonds (distance) C4'-P energy: -55.962 bonds (distance) P-C4' energy: -67.784 flat angles C4'-P-C4' energy: -62.018 flat angles P-C4'-P energy: -34.818 tors. eta vs tors. theta energy: -64.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -933.200366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.200366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.200366 (E_RNA) where: Base-Base interactions energy: -642.099 where: short stacking energy: -292.336 Base-Backbone interact. energy: -2.091 local terms energy: -289.009872 where: bonds (distance) C4'-P energy: -48.651 bonds (distance) P-C4' energy: -62.130 flat angles C4'-P-C4' energy: -62.677 flat angles P-C4'-P energy: -45.689 tors. eta vs tors. theta energy: -69.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -774.880613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.880613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.880613 (E_RNA) where: Base-Base interactions energy: -503.453 where: short stacking energy: -240.813 Base-Backbone interact. energy: -0.764 local terms energy: -270.663304 where: bonds (distance) C4'-P energy: -50.606 bonds (distance) P-C4' energy: -67.172 flat angles C4'-P-C4' energy: -60.581 flat angles P-C4'-P energy: -42.926 tors. eta vs tors. theta energy: -49.378 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: 25 Temperature: 1.150000 Total energy: -771.546558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.546558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.546558 (E_RNA) where: Base-Base interactions energy: -509.902 where: short stacking energy: -231.745 Base-Backbone interact. energy: -0.930 local terms energy: -260.713994 where: bonds (distance) C4'-P energy: -57.154 bonds (distance) P-C4' energy: -47.298 flat angles C4'-P-C4' energy: -65.648 flat angles P-C4'-P energy: -37.139 tors. eta vs tors. theta energy: -53.475 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: 4 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -735.220097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.220097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.220097 (E_RNA) where: Base-Base interactions energy: -501.202 where: short stacking energy: -209.098 Base-Backbone interact. energy: 1.903 local terms energy: -235.921244 where: bonds (distance) C4'-P energy: -62.580 bonds (distance) P-C4' energy: -54.242 flat angles C4'-P-C4' energy: -58.012 flat angles P-C4'-P energy: -24.513 tors. eta vs tors. theta energy: -36.575 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: 9 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -551.814335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.814335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.814335 (E_RNA) where: Base-Base interactions energy: -354.698 where: short stacking energy: -177.265 Base-Backbone interact. energy: -3.334 local terms energy: -193.782601 where: bonds (distance) C4'-P energy: -42.976 bonds (distance) P-C4' energy: -58.785 flat angles C4'-P-C4' energy: -42.694 flat angles P-C4'-P energy: -28.589 tors. eta vs tors. theta energy: -20.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -531.184067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.184067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.184067 (E_RNA) where: Base-Base interactions energy: -333.207 where: short stacking energy: -161.681 Base-Backbone interact. energy: -0.523 local terms energy: -197.453788 where: bonds (distance) C4'-P energy: -55.398 bonds (distance) P-C4' energy: -45.045 flat angles C4'-P-C4' energy: -44.797 flat angles P-C4'-P energy: -31.563 tors. eta vs tors. theta energy: -20.651 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: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -443.521965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.521965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.521965 (E_RNA) where: Base-Base interactions energy: -262.888 where: short stacking energy: -148.462 Base-Backbone interact. energy: 2.897 local terms energy: -183.530330 where: bonds (distance) C4'-P energy: -36.204 bonds (distance) P-C4' energy: -52.803 flat angles C4'-P-C4' energy: -61.796 flat angles P-C4'-P energy: -20.863 tors. eta vs tors. theta energy: -11.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1035.919837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.919837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.919837 (E_RNA) where: Base-Base interactions energy: -699.511 where: short stacking energy: -335.508 Base-Backbone interact. energy: -1.529 local terms energy: -334.880415 where: bonds (distance) C4'-P energy: -67.410 bonds (distance) P-C4' energy: -62.029 flat angles C4'-P-C4' energy: -67.877 flat angles P-C4'-P energy: -50.157 tors. eta vs tors. theta energy: -87.407 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: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -968.739112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.739112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.739112 (E_RNA) where: Base-Base interactions energy: -638.661 where: short stacking energy: -306.229 Base-Backbone interact. energy: -0.089 local terms energy: -329.988268 where: bonds (distance) C4'-P energy: -58.554 bonds (distance) P-C4' energy: -64.042 flat angles C4'-P-C4' energy: -75.024 flat angles P-C4'-P energy: -49.091 tors. eta vs tors. theta energy: -83.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -928.135868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.135868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.135868 (E_RNA) where: Base-Base interactions energy: -620.832 where: short stacking energy: -264.178 Base-Backbone interact. energy: -2.185 local terms energy: -305.119733 where: bonds (distance) C4'-P energy: -65.941 bonds (distance) P-C4' energy: -62.466 flat angles C4'-P-C4' energy: -62.700 flat angles P-C4'-P energy: -48.224 tors. eta vs tors. theta energy: -65.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -947.563650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.563650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.563650 (E_RNA) where: Base-Base interactions energy: -637.990 where: short stacking energy: -305.278 Base-Backbone interact. energy: -0.992 local terms energy: -308.581351 where: bonds (distance) C4'-P energy: -53.405 bonds (distance) P-C4' energy: -59.270 flat angles C4'-P-C4' energy: -64.464 flat angles P-C4'-P energy: -49.179 tors. eta vs tors. theta energy: -82.263 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: 1 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -840.411113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.411113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.411113 (E_RNA) where: Base-Base interactions energy: -566.444 where: short stacking energy: -218.990 Base-Backbone interact. energy: -1.462 local terms energy: -272.505146 where: bonds (distance) C4'-P energy: -61.658 bonds (distance) P-C4' energy: -65.918 flat angles C4'-P-C4' energy: -68.059 flat angles P-C4'-P energy: -35.749 tors. eta vs tors. theta energy: -41.121 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: 6, replica: 2 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -740.286890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.286890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.286890 (E_RNA) where: Base-Base interactions energy: -483.074 where: short stacking energy: -232.393 Base-Backbone interact. energy: 0.496 local terms energy: -257.708739 where: bonds (distance) C4'-P energy: -43.600 bonds (distance) P-C4' energy: -59.030 flat angles C4'-P-C4' energy: -63.912 flat angles P-C4'-P energy: -37.986 tors. eta vs tors. theta energy: -53.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -723.556510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.556510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.556510 (E_RNA) where: Base-Base interactions energy: -508.400 where: short stacking energy: -214.626 Base-Backbone interact. energy: 1.621 local terms energy: -216.777392 where: bonds (distance) C4'-P energy: -51.957 bonds (distance) P-C4' energy: -57.463 flat angles C4'-P-C4' energy: -40.936 flat angles P-C4'-P energy: -36.252 tors. eta vs tors. theta energy: -30.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -567.842350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.842350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.842350 (E_RNA) where: Base-Base interactions energy: -342.273 where: short stacking energy: -189.797 Base-Backbone interact. energy: -0.308 local terms energy: -225.261248 where: bonds (distance) C4'-P energy: -57.156 bonds (distance) P-C4' energy: -45.457 flat angles C4'-P-C4' energy: -58.152 flat angles P-C4'-P energy: -29.914 tors. eta vs tors. theta energy: -34.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -543.322051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.322051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.322051 (E_RNA) where: Base-Base interactions energy: -333.065 where: short stacking energy: -160.662 Base-Backbone interact. energy: -2.457 local terms energy: -207.799708 where: bonds (distance) C4'-P energy: -43.264 bonds (distance) P-C4' energy: -58.907 flat angles C4'-P-C4' energy: -39.852 flat angles P-C4'-P energy: -34.042 tors. eta vs tors. theta energy: -31.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -401.765057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.765057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.765057 (E_RNA) where: Base-Base interactions energy: -219.368 where: short stacking energy: -132.275 Base-Backbone interact. energy: 1.942 local terms energy: -184.339656 where: bonds (distance) C4'-P energy: -53.954 bonds (distance) P-C4' energy: -56.508 flat angles C4'-P-C4' energy: -32.298 flat angles P-C4'-P energy: -26.779 tors. eta vs tors. theta energy: -14.801 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: 7 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1055.244013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.244013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.244013 (E_RNA) where: Base-Base interactions energy: -708.501 where: short stacking energy: -331.422 Base-Backbone interact. energy: -0.969 local terms energy: -345.774682 where: bonds (distance) C4'-P energy: -60.694 bonds (distance) P-C4' energy: -72.730 flat angles C4'-P-C4' energy: -75.325 flat angles P-C4'-P energy: -45.045 tors. eta vs tors. theta energy: -91.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -974.437599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.437599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.437599 (E_RNA) where: Base-Base interactions energy: -638.484 where: short stacking energy: -298.246 Base-Backbone interact. energy: -0.823 local terms energy: -335.130478 where: bonds (distance) C4'-P energy: -57.764 bonds (distance) P-C4' energy: -72.564 flat angles C4'-P-C4' energy: -70.430 flat angles P-C4'-P energy: -50.101 tors. eta vs tors. theta energy: -84.272 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: 5 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -930.314233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.314233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.314233 (E_RNA) where: Base-Base interactions energy: -632.104 where: short stacking energy: -257.549 Base-Backbone interact. energy: 1.011 local terms energy: -299.221100 where: bonds (distance) C4'-P energy: -64.566 bonds (distance) P-C4' energy: -60.175 flat angles C4'-P-C4' energy: -65.472 flat angles P-C4'-P energy: -40.302 tors. eta vs tors. theta energy: -68.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -935.491247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.491247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.491247 (E_RNA) where: Base-Base interactions energy: -617.190 where: short stacking energy: -291.057 Base-Backbone interact. energy: -3.288 local terms energy: -315.013279 where: bonds (distance) C4'-P energy: -70.834 bonds (distance) P-C4' energy: -61.336 flat angles C4'-P-C4' energy: -63.614 flat angles P-C4'-P energy: -41.173 tors. eta vs tors. theta energy: -78.056 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: 27 Temperature: 1.100000 Total energy: -910.132676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.132676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.132676 (E_RNA) where: Base-Base interactions energy: -632.496 where: short stacking energy: -274.867 Base-Backbone interact. energy: -0.656 local terms energy: -276.980233 where: bonds (distance) C4'-P energy: -49.483 bonds (distance) P-C4' energy: -62.527 flat angles C4'-P-C4' energy: -54.541 flat angles P-C4'-P energy: -39.359 tors. eta vs tors. theta energy: -71.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -769.304847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.304847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.304847 (E_RNA) where: Base-Base interactions energy: -513.313 where: short stacking energy: -242.515 Base-Backbone interact. energy: 1.170 local terms energy: -257.162288 where: bonds (distance) C4'-P energy: -52.815 bonds (distance) P-C4' energy: -65.308 flat angles C4'-P-C4' energy: -55.246 flat angles P-C4'-P energy: -26.409 tors. eta vs tors. theta energy: -57.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -755.131749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.131749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.131749 (E_RNA) where: Base-Base interactions energy: -512.186 where: short stacking energy: -220.171 Base-Backbone interact. energy: -0.827 local terms energy: -242.119273 where: bonds (distance) C4'-P energy: -48.105 bonds (distance) P-C4' energy: -56.881 flat angles C4'-P-C4' energy: -53.270 flat angles P-C4'-P energy: -39.750 tors. eta vs tors. theta energy: -44.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -557.230701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.230701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.230701 (E_RNA) where: Base-Base interactions energy: -328.624 where: short stacking energy: -171.229 Base-Backbone interact. energy: 0.510 local terms energy: -229.116187 where: bonds (distance) C4'-P energy: -57.950 bonds (distance) P-C4' energy: -58.853 flat angles C4'-P-C4' energy: -54.268 flat angles P-C4'-P energy: -35.301 tors. eta vs tors. theta energy: -22.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -508.325246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.325246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.325246 (E_RNA) where: Base-Base interactions energy: -292.266 where: short stacking energy: -139.058 Base-Backbone interact. energy: 1.184 local terms energy: -217.242931 where: bonds (distance) C4'-P energy: -58.246 bonds (distance) P-C4' energy: -59.235 flat angles C4'-P-C4' energy: -55.764 flat angles P-C4'-P energy: -29.721 tors. eta vs tors. theta energy: -14.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -363.739625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.739625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.739625 (E_RNA) where: Base-Base interactions energy: -173.162 where: short stacking energy: -122.652 Base-Backbone interact. energy: -0.404 local terms energy: -190.173959 where: bonds (distance) C4'-P energy: -54.971 bonds (distance) P-C4' energy: -50.240 flat angles C4'-P-C4' energy: -51.919 flat angles P-C4'-P energy: -14.760 tors. eta vs tors. theta energy: -18.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1062.647820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.647820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.647820 (E_RNA) where: Base-Base interactions energy: -709.529 where: short stacking energy: -311.886 Base-Backbone interact. energy: -2.078 local terms energy: -351.040794 where: bonds (distance) C4'-P energy: -66.596 bonds (distance) P-C4' energy: -69.992 flat angles C4'-P-C4' energy: -75.661 flat angles P-C4'-P energy: -48.075 tors. eta vs tors. theta energy: -90.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1001.178466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.178466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.178466 (E_RNA) where: Base-Base interactions energy: -680.761 where: short stacking energy: -319.228 Base-Backbone interact. energy: -0.310 local terms energy: -320.107438 where: bonds (distance) C4'-P energy: -59.778 bonds (distance) P-C4' energy: -68.663 flat angles C4'-P-C4' energy: -70.924 flat angles P-C4'-P energy: -36.813 tors. eta vs tors. theta energy: -83.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -970.694970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.694970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.694970 (E_RNA) where: Base-Base interactions energy: -663.494 where: short stacking energy: -284.381 Base-Backbone interact. energy: -2.776 local terms energy: -304.424785 where: bonds (distance) C4'-P energy: -61.117 bonds (distance) P-C4' energy: -66.690 flat angles C4'-P-C4' energy: -55.648 flat angles P-C4'-P energy: -38.901 tors. eta vs tors. theta energy: -82.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -922.514929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.514929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.514929 (E_RNA) where: Base-Base interactions energy: -642.216 where: short stacking energy: -266.916 Base-Backbone interact. energy: 2.582 local terms energy: -282.880915 where: bonds (distance) C4'-P energy: -58.651 bonds (distance) P-C4' energy: -45.250 flat angles C4'-P-C4' energy: -66.329 flat angles P-C4'-P energy: -47.704 tors. eta vs tors. theta energy: -64.948 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: 5, replica: 1 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -855.870220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.870220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.870220 (E_RNA) where: Base-Base interactions energy: -571.662 where: short stacking energy: -251.856 Base-Backbone interact. energy: -1.400 local terms energy: -282.808310 where: bonds (distance) C4'-P energy: -60.741 bonds (distance) P-C4' energy: -63.478 flat angles C4'-P-C4' energy: -59.440 flat angles P-C4'-P energy: -36.165 tors. eta vs tors. theta energy: -62.983 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: 28 Temperature: 1.150000 Total energy: -765.444564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.444564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.444564 (E_RNA) where: Base-Base interactions energy: -516.876 where: short stacking energy: -241.971 Base-Backbone interact. energy: -1.501 local terms energy: -247.067465 where: bonds (distance) C4'-P energy: -38.796 bonds (distance) P-C4' energy: -63.433 flat angles C4'-P-C4' energy: -62.869 flat angles P-C4'-P energy: -37.974 tors. eta vs tors. theta energy: -43.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -734.433123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.433123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.433123 (E_RNA) where: Base-Base interactions energy: -507.270 where: short stacking energy: -202.955 Base-Backbone interact. energy: -0.363 local terms energy: -226.800654 where: bonds (distance) C4'-P energy: -47.737 bonds (distance) P-C4' energy: -53.001 flat angles C4'-P-C4' energy: -53.412 flat angles P-C4'-P energy: -28.428 tors. eta vs tors. theta energy: -44.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -511.364497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.364497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.364497 (E_RNA) where: Base-Base interactions energy: -299.835 where: short stacking energy: -158.944 Base-Backbone interact. energy: -2.286 local terms energy: -209.243064 where: bonds (distance) C4'-P energy: -58.029 bonds (distance) P-C4' energy: -63.648 flat angles C4'-P-C4' energy: -49.801 flat angles P-C4'-P energy: -28.115 tors. eta vs tors. theta energy: -9.651 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: 10 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -593.843884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.843884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.843884 (E_RNA) where: Base-Base interactions energy: -366.589 where: short stacking energy: -182.714 Base-Backbone interact. energy: -0.778 local terms energy: -226.477209 where: bonds (distance) C4'-P energy: -56.581 bonds (distance) P-C4' energy: -51.168 flat angles C4'-P-C4' energy: -54.159 flat angles P-C4'-P energy: -40.875 tors. eta vs tors. theta energy: -23.694 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: 8 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -370.963984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.963984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.963984 (E_RNA) where: Base-Base interactions energy: -184.513 where: short stacking energy: -107.956 Base-Backbone interact. energy: -0.837 local terms energy: -185.614067 where: bonds (distance) C4'-P energy: -56.972 bonds (distance) P-C4' energy: -61.652 flat angles C4'-P-C4' energy: -46.718 flat angles P-C4'-P energy: -16.811 tors. eta vs tors. theta energy: -3.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1059.221149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.221149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.221149 (E_RNA) where: Base-Base interactions energy: -723.264 where: short stacking energy: -324.092 Base-Backbone interact. energy: 0.580 local terms energy: -336.537609 where: bonds (distance) C4'-P energy: -65.782 bonds (distance) P-C4' energy: -72.149 flat angles C4'-P-C4' energy: -73.151 flat angles P-C4'-P energy: -43.791 tors. eta vs tors. theta energy: -81.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1004.583576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.583576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.583576 (E_RNA) where: Base-Base interactions energy: -667.984 where: short stacking energy: -305.706 Base-Backbone interact. energy: -1.298 local terms energy: -335.301380 where: bonds (distance) C4'-P energy: -64.457 bonds (distance) P-C4' energy: -57.101 flat angles C4'-P-C4' energy: -69.972 flat angles P-C4'-P energy: -53.939 tors. eta vs tors. theta energy: -89.833 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: 6 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1054.869055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.869055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.869055 (E_RNA) where: Base-Base interactions energy: -742.189 where: short stacking energy: -303.403 Base-Backbone interact. energy: -1.707 local terms energy: -310.973056 where: bonds (distance) C4'-P energy: -61.548 bonds (distance) P-C4' energy: -64.112 flat angles C4'-P-C4' energy: -59.822 flat angles P-C4'-P energy: -35.967 tors. eta vs tors. theta energy: -89.524 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: 5 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -929.581505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.581505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.581505 (E_RNA) where: Base-Base interactions energy: -640.582 where: short stacking energy: -284.260 Base-Backbone interact. energy: -1.458 local terms energy: -287.542200 where: bonds (distance) C4'-P energy: -57.121 bonds (distance) P-C4' energy: -63.671 flat angles C4'-P-C4' energy: -61.654 flat angles P-C4'-P energy: -35.066 tors. eta vs tors. theta energy: -70.031 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: 29 Temperature: 1.100000 Total energy: -852.140333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.140333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.140333 (E_RNA) where: Base-Base interactions energy: -541.075 where: short stacking energy: -273.958 Base-Backbone interact. energy: -3.415 local terms energy: -307.650618 where: bonds (distance) C4'-P energy: -64.353 bonds (distance) P-C4' energy: -50.802 flat angles C4'-P-C4' energy: -68.030 flat angles P-C4'-P energy: -47.738 tors. eta vs tors. theta energy: -76.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -767.518786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.518786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.518786 (E_RNA) where: Base-Base interactions energy: -518.823 where: short stacking energy: -229.169 Base-Backbone interact. energy: -1.375 local terms energy: -247.320368 where: bonds (distance) C4'-P energy: -57.762 bonds (distance) P-C4' energy: -55.440 flat angles C4'-P-C4' energy: -56.381 flat angles P-C4'-P energy: -37.287 tors. eta vs tors. theta energy: -40.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -798.303099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.303099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.303099 (E_RNA) where: Base-Base interactions energy: -526.988 where: short stacking energy: -236.642 Base-Backbone interact. energy: -1.555 local terms energy: -269.759354 where: bonds (distance) C4'-P energy: -52.573 bonds (distance) P-C4' energy: -63.752 flat angles C4'-P-C4' energy: -64.630 flat angles P-C4'-P energy: -39.569 tors. eta vs tors. theta energy: -49.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -536.206763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.206763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.206763 (E_RNA) where: Base-Base interactions energy: -316.177 where: short stacking energy: -178.448 Base-Backbone interact. energy: 0.004 local terms energy: -220.033375 where: bonds (distance) C4'-P energy: -50.066 bonds (distance) P-C4' energy: -58.470 flat angles C4'-P-C4' energy: -55.449 flat angles P-C4'-P energy: -34.107 tors. eta vs tors. theta energy: -21.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -631.328717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.328717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.328717 (E_RNA) where: Base-Base interactions energy: -425.349 where: short stacking energy: -192.699 Base-Backbone interact. energy: 6.071 local terms energy: -212.051110 where: bonds (distance) C4'-P energy: -49.534 bonds (distance) P-C4' energy: -56.818 flat angles C4'-P-C4' energy: -40.684 flat angles P-C4'-P energy: -28.946 tors. eta vs tors. theta energy: -36.069 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: 8 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -429.819629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.819629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.819629 (E_RNA) where: Base-Base interactions energy: -239.705 where: short stacking energy: -132.024 Base-Backbone interact. energy: 0.671 local terms energy: -190.785845 where: bonds (distance) C4'-P energy: -37.716 bonds (distance) P-C4' energy: -63.051 flat angles C4'-P-C4' energy: -50.015 flat angles P-C4'-P energy: -32.368 tors. eta vs tors. theta energy: -7.637 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: 1, replica: 7 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1059.441082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.441082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.441082 (E_RNA) where: Base-Base interactions energy: -721.700 where: short stacking energy: -329.792 Base-Backbone interact. energy: -1.266 local terms energy: -336.475556 where: bonds (distance) C4'-P energy: -68.446 bonds (distance) P-C4' energy: -65.935 flat angles C4'-P-C4' energy: -69.944 flat angles P-C4'-P energy: -41.225 tors. eta vs tors. theta energy: -90.925 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: 3 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -992.196011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.196011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.196011 (E_RNA) where: Base-Base interactions energy: -664.941 where: short stacking energy: -308.859 Base-Backbone interact. energy: 1.231 local terms energy: -328.485685 where: bonds (distance) C4'-P energy: -57.650 bonds (distance) P-C4' energy: -64.285 flat angles C4'-P-C4' energy: -70.611 flat angles P-C4'-P energy: -52.055 tors. eta vs tors. theta energy: -83.884 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: 6 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1058.340814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.340814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.340814 (E_RNA) where: Base-Base interactions energy: -727.354 where: short stacking energy: -304.286 Base-Backbone interact. energy: -2.669 local terms energy: -328.318185 where: bonds (distance) C4'-P energy: -72.966 bonds (distance) P-C4' energy: -55.243 flat angles C4'-P-C4' energy: -69.480 flat angles P-C4'-P energy: -42.237 tors. eta vs tors. theta energy: -88.393 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: 5 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -923.371572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.371572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.371572 (E_RNA) where: Base-Base interactions energy: -645.995 where: short stacking energy: -268.299 Base-Backbone interact. energy: 0.729 local terms energy: -278.105859 where: bonds (distance) C4'-P energy: -57.990 bonds (distance) P-C4' energy: -51.524 flat angles C4'-P-C4' energy: -67.005 flat angles P-C4'-P energy: -36.970 tors. eta vs tors. theta energy: -64.617 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: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -880.224921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.224921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.224921 (E_RNA) where: Base-Base interactions energy: -604.223 where: short stacking energy: -282.763 Base-Backbone interact. energy: 0.306 local terms energy: -276.307859 where: bonds (distance) C4'-P energy: -59.840 bonds (distance) P-C4' energy: -56.024 flat angles C4'-P-C4' energy: -55.144 flat angles P-C4'-P energy: -39.211 tors. eta vs tors. theta energy: -66.089 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: 2 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -755.606048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.606048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.606048 (E_RNA) where: Base-Base interactions energy: -493.443 where: short stacking energy: -214.286 Base-Backbone interact. energy: -1.267 local terms energy: -260.895897 where: bonds (distance) C4'-P energy: -51.697 bonds (distance) P-C4' energy: -67.216 flat angles C4'-P-C4' energy: -66.046 flat angles P-C4'-P energy: -35.965 tors. eta vs tors. theta energy: -39.971 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: 4 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -812.205062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.205062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.205062 (E_RNA) where: Base-Base interactions energy: -539.314 where: short stacking energy: -231.413 Base-Backbone interact. energy: -2.043 local terms energy: -270.848594 where: bonds (distance) C4'-P energy: -60.352 bonds (distance) P-C4' energy: -63.038 flat angles C4'-P-C4' energy: -57.768 flat angles P-C4'-P energy: -42.617 tors. eta vs tors. theta energy: -47.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -571.396218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.396218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.396218 (E_RNA) where: Base-Base interactions energy: -358.749 where: short stacking energy: -184.343 Base-Backbone interact. energy: 0.882 local terms energy: -213.529361 where: bonds (distance) C4'-P energy: -52.396 bonds (distance) P-C4' energy: -48.313 flat angles C4'-P-C4' energy: -54.687 flat angles P-C4'-P energy: -29.147 tors. eta vs tors. theta energy: -28.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -642.209315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.209315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.209315 (E_RNA) where: Base-Base interactions energy: -417.797 where: short stacking energy: -190.333 Base-Backbone interact. energy: -0.556 local terms energy: -223.855738 where: bonds (distance) C4'-P energy: -45.755 bonds (distance) P-C4' energy: -52.647 flat angles C4'-P-C4' energy: -48.346 flat angles P-C4'-P energy: -44.187 tors. eta vs tors. theta energy: -32.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -396.705718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.705718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.705718 (E_RNA) where: Base-Base interactions energy: -235.445 where: short stacking energy: -134.293 Base-Backbone interact. energy: 1.154 local terms energy: -162.415365 where: bonds (distance) C4'-P energy: -47.288 bonds (distance) P-C4' energy: -51.376 flat angles C4'-P-C4' energy: -42.650 flat angles P-C4'-P energy: -19.652 tors. eta vs tors. theta energy: -1.449 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: 7 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1064.019965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.019965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.019965 (E_RNA) where: Base-Base interactions energy: -726.439 where: short stacking energy: -324.109 Base-Backbone interact. energy: -2.691 local terms energy: -334.890368 where: bonds (distance) C4'-P energy: -64.435 bonds (distance) P-C4' energy: -70.476 flat angles C4'-P-C4' energy: -64.500 flat angles P-C4'-P energy: -47.342 tors. eta vs tors. theta energy: -88.138 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: 6 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1076.747736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.747736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.747736 (E_RNA) where: Base-Base interactions energy: -748.542 where: short stacking energy: -318.613 Base-Backbone interact. energy: -1.857 local terms energy: -326.348212 where: bonds (distance) C4'-P energy: -64.575 bonds (distance) P-C4' energy: -68.104 flat angles C4'-P-C4' energy: -64.665 flat angles P-C4'-P energy: -46.861 tors. eta vs tors. theta energy: -82.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1012.012551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.012551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.012551 (E_RNA) where: Base-Base interactions energy: -683.713 where: short stacking energy: -326.574 Base-Backbone interact. energy: -2.023 local terms energy: -326.276168 where: bonds (distance) C4'-P energy: -54.256 bonds (distance) P-C4' energy: -60.025 flat angles C4'-P-C4' energy: -71.747 flat angles P-C4'-P energy: -48.331 tors. eta vs tors. theta energy: -91.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -938.324249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.324249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.324249 (E_RNA) where: Base-Base interactions energy: -617.514 where: short stacking energy: -287.554 Base-Backbone interact. energy: -1.249 local terms energy: -319.561302 where: bonds (distance) C4'-P energy: -65.728 bonds (distance) P-C4' energy: -69.886 flat angles C4'-P-C4' energy: -68.888 flat angles P-C4'-P energy: -40.836 tors. eta vs tors. theta energy: -74.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -841.381279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.381279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.381279 (E_RNA) where: Base-Base interactions energy: -573.197 where: short stacking energy: -234.822 Base-Backbone interact. energy: -2.180 local terms energy: -266.004445 where: bonds (distance) C4'-P energy: -44.082 bonds (distance) P-C4' energy: -61.825 flat angles C4'-P-C4' energy: -63.393 flat angles P-C4'-P energy: -39.636 tors. eta vs tors. theta energy: -57.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -772.615401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.615401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.615401 (E_RNA) where: Base-Base interactions energy: -521.241 where: short stacking energy: -242.797 Base-Backbone interact. energy: -2.293 local terms energy: -249.081769 where: bonds (distance) C4'-P energy: -51.806 bonds (distance) P-C4' energy: -61.300 flat angles C4'-P-C4' energy: -59.214 flat angles P-C4'-P energy: -28.191 tors. eta vs tors. theta energy: -48.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -733.713165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.713165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.713165 (E_RNA) where: Base-Base interactions energy: -494.357 where: short stacking energy: -216.064 Base-Backbone interact. energy: -2.957 local terms energy: -236.399217 where: bonds (distance) C4'-P energy: -46.613 bonds (distance) P-C4' energy: -53.385 flat angles C4'-P-C4' energy: -50.778 flat angles P-C4'-P energy: -43.975 tors. eta vs tors. theta energy: -41.648 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: 31 Temperature: 1.250000 Total energy: -672.181564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.181564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.181564 (E_RNA) where: Base-Base interactions energy: -432.139 where: short stacking energy: -194.554 Base-Backbone interact. energy: -0.591 local terms energy: -239.451608 where: bonds (distance) C4'-P energy: -53.217 bonds (distance) P-C4' energy: -65.077 flat angles C4'-P-C4' energy: -49.839 flat angles P-C4'-P energy: -29.437 tors. eta vs tors. theta energy: -41.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -542.624057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.624057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.624057 (E_RNA) where: Base-Base interactions energy: -343.541 where: short stacking energy: -182.531 Base-Backbone interact. energy: -1.738 local terms energy: -197.344292 where: bonds (distance) C4'-P energy: -49.934 bonds (distance) P-C4' energy: -43.563 flat angles C4'-P-C4' energy: -39.984 flat angles P-C4'-P energy: -41.041 tors. eta vs tors. theta energy: -22.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -374.871131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.871131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.871131 (E_RNA) where: Base-Base interactions energy: -187.626 where: short stacking energy: -107.104 Base-Backbone interact. energy: 1.787 local terms energy: -189.032027 where: bonds (distance) C4'-P energy: -56.139 bonds (distance) P-C4' energy: -58.488 flat angles C4'-P-C4' energy: -41.803 flat angles P-C4'-P energy: -21.086 tors. eta vs tors. theta energy: -11.516 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: 6 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1116.937774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.937774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.937774 (E_RNA) where: Base-Base interactions energy: -779.373 where: short stacking energy: -330.153 Base-Backbone interact. energy: -1.367 local terms energy: -336.197266 where: bonds (distance) C4'-P energy: -56.608 bonds (distance) P-C4' energy: -64.236 flat angles C4'-P-C4' energy: -68.722 flat angles P-C4'-P energy: -54.435 tors. eta vs tors. theta energy: -92.196 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: 7 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1025.705505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.705505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.705505 (E_RNA) where: Base-Base interactions energy: -685.356 where: short stacking energy: -309.940 Base-Backbone interact. energy: -0.951 local terms energy: -339.398389 where: bonds (distance) C4'-P energy: -66.175 bonds (distance) P-C4' energy: -60.731 flat angles C4'-P-C4' energy: -77.929 flat angles P-C4'-P energy: -44.472 tors. eta vs tors. theta energy: -90.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -977.899022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.899022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.899022 (E_RNA) where: Base-Base interactions energy: -660.867 where: short stacking energy: -305.248 Base-Backbone interact. energy: -1.903 local terms energy: -315.128894 where: bonds (distance) C4'-P energy: -54.969 bonds (distance) P-C4' energy: -65.634 flat angles C4'-P-C4' energy: -70.570 flat angles P-C4'-P energy: -43.826 tors. eta vs tors. theta energy: -80.131 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: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -954.441400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.441400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.441400 (E_RNA) where: Base-Base interactions energy: -644.867 where: short stacking energy: -274.896 Base-Backbone interact. energy: -4.035 local terms energy: -305.539927 where: bonds (distance) C4'-P energy: -60.591 bonds (distance) P-C4' energy: -67.878 flat angles C4'-P-C4' energy: -68.753 flat angles P-C4'-P energy: -40.913 tors. eta vs tors. theta energy: -67.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -853.705819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.705819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.705819 (E_RNA) where: Base-Base interactions energy: -579.528 where: short stacking energy: -259.541 Base-Backbone interact. energy: -3.418 local terms energy: -270.760040 where: bonds (distance) C4'-P energy: -56.466 bonds (distance) P-C4' energy: -55.612 flat angles C4'-P-C4' energy: -56.416 flat angles P-C4'-P energy: -40.093 tors. eta vs tors. theta energy: -62.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -747.009614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.009614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.009614 (E_RNA) where: Base-Base interactions energy: -508.624 where: short stacking energy: -213.000 Base-Backbone interact. energy: 2.628 local terms energy: -241.012998 where: bonds (distance) C4'-P energy: -49.626 bonds (distance) P-C4' energy: -57.493 flat angles C4'-P-C4' energy: -60.461 flat angles P-C4'-P energy: -34.488 tors. eta vs tors. theta energy: -38.945 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: 2 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -755.871632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.871632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.871632 (E_RNA) where: Base-Base interactions energy: -506.488 where: short stacking energy: -211.763 Base-Backbone interact. energy: -1.249 local terms energy: -248.134428 where: bonds (distance) C4'-P energy: -58.593 bonds (distance) P-C4' energy: -56.427 flat angles C4'-P-C4' energy: -54.973 flat angles P-C4'-P energy: -43.492 tors. eta vs tors. theta energy: -34.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -643.912764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.912764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.912764 (E_RNA) where: Base-Base interactions energy: -415.128 where: short stacking energy: -186.063 Base-Backbone interact. energy: 0.775 local terms energy: -229.560451 where: bonds (distance) C4'-P energy: -41.758 bonds (distance) P-C4' energy: -57.420 flat angles C4'-P-C4' energy: -51.720 flat angles P-C4'-P energy: -44.619 tors. eta vs tors. theta energy: -34.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -532.835625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.835625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.835625 (E_RNA) where: Base-Base interactions energy: -332.446 where: short stacking energy: -162.334 Base-Backbone interact. energy: -1.112 local terms energy: -199.277745 where: bonds (distance) C4'-P energy: -51.472 bonds (distance) P-C4' energy: -50.208 flat angles C4'-P-C4' energy: -54.534 flat angles P-C4'-P energy: -25.618 tors. eta vs tors. theta energy: -17.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -377.467252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.467252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.467252 (E_RNA) where: Base-Base interactions energy: -191.431 where: short stacking energy: -115.970 Base-Backbone interact. energy: -1.388 local terms energy: -184.648954 where: bonds (distance) C4'-P energy: -52.064 bonds (distance) P-C4' energy: -56.020 flat angles C4'-P-C4' energy: -49.933 flat angles P-C4'-P energy: -12.553 tors. eta vs tors. theta energy: -14.079 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: 6 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1110.790113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.790113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.790113 (E_RNA) where: Base-Base interactions energy: -783.726 where: short stacking energy: -331.146 Base-Backbone interact. energy: -2.940 local terms energy: -324.123468 where: bonds (distance) C4'-P energy: -68.148 bonds (distance) P-C4' energy: -54.133 flat angles C4'-P-C4' energy: -75.778 flat angles P-C4'-P energy: -36.142 tors. eta vs tors. theta energy: -89.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1035.879209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.879209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.879209 (E_RNA) where: Base-Base interactions energy: -698.373 where: short stacking energy: -330.313 Base-Backbone interact. energy: -1.561 local terms energy: -335.945261 where: bonds (distance) C4'-P energy: -60.514 bonds (distance) P-C4' energy: -64.400 flat angles C4'-P-C4' energy: -70.698 flat angles P-C4'-P energy: -50.603 tors. eta vs tors. theta energy: -89.730 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: 3 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -969.279906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.279906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.279906 (E_RNA) where: Base-Base interactions energy: -660.091 where: short stacking energy: -305.978 Base-Backbone interact. energy: -2.402 local terms energy: -306.787427 where: bonds (distance) C4'-P energy: -60.556 bonds (distance) P-C4' energy: -60.018 flat angles C4'-P-C4' energy: -67.161 flat angles P-C4'-P energy: -41.733 tors. eta vs tors. theta energy: -77.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -897.627744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.627744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.627744 (E_RNA) where: Base-Base interactions energy: -605.370 where: short stacking energy: -261.860 Base-Backbone interact. energy: -3.340 local terms energy: -288.918094 where: bonds (distance) C4'-P energy: -55.083 bonds (distance) P-C4' energy: -57.087 flat angles C4'-P-C4' energy: -66.840 flat angles P-C4'-P energy: -40.295 tors. eta vs tors. theta energy: -69.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -902.081791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.081791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.081791 (E_RNA) where: Base-Base interactions energy: -609.905 where: short stacking energy: -283.310 Base-Backbone interact. energy: 0.253 local terms energy: -292.429869 where: bonds (distance) C4'-P energy: -56.331 bonds (distance) P-C4' energy: -60.909 flat angles C4'-P-C4' energy: -64.921 flat angles P-C4'-P energy: -41.093 tors. eta vs tors. theta energy: -69.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -766.224256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.224256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.224256 (E_RNA) where: Base-Base interactions energy: -507.342 where: short stacking energy: -227.120 Base-Backbone interact. energy: -0.679 local terms energy: -258.203707 where: bonds (distance) C4'-P energy: -53.021 bonds (distance) P-C4' energy: -47.815 flat angles C4'-P-C4' energy: -62.788 flat angles P-C4'-P energy: -44.914 tors. eta vs tors. theta energy: -49.665 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: 4 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -683.642184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.642184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.642184 (E_RNA) where: Base-Base interactions energy: -428.977 where: short stacking energy: -189.958 Base-Backbone interact. energy: -2.017 local terms energy: -252.648241 where: bonds (distance) C4'-P energy: -52.579 bonds (distance) P-C4' energy: -59.858 flat angles C4'-P-C4' energy: -58.270 flat angles P-C4'-P energy: -45.598 tors. eta vs tors. theta energy: -36.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -695.852855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.852855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.852855 (E_RNA) where: Base-Base interactions energy: -455.072 where: short stacking energy: -207.635 Base-Backbone interact. energy: -0.807 local terms energy: -239.974649 where: bonds (distance) C4'-P energy: -57.611 bonds (distance) P-C4' energy: -59.933 flat angles C4'-P-C4' energy: -47.229 flat angles P-C4'-P energy: -29.918 tors. eta vs tors. theta energy: -45.284 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: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -563.902456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.902456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.902456 (E_RNA) where: Base-Base interactions energy: -341.367 where: short stacking energy: -159.276 Base-Backbone interact. energy: 0.441 local terms energy: -222.977136 where: bonds (distance) C4'-P energy: -54.635 bonds (distance) P-C4' energy: -56.729 flat angles C4'-P-C4' energy: -61.733 flat angles P-C4'-P energy: -27.096 tors. eta vs tors. theta energy: -22.785 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: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -394.170296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.170296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.170296 (E_RNA) where: Base-Base interactions energy: -226.878 where: short stacking energy: -120.617 Base-Backbone interact. energy: 2.366 local terms energy: -169.658086 where: bonds (distance) C4'-P energy: -55.107 bonds (distance) P-C4' energy: -34.230 flat angles C4'-P-C4' energy: -40.893 flat angles P-C4'-P energy: -30.034 tors. eta vs tors. theta energy: -9.395 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: 1, replica: 6 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1122.756014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.756014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.756014 (E_RNA) where: Base-Base interactions energy: -787.879 where: short stacking energy: -348.450 Base-Backbone interact. energy: -1.114 local terms energy: -333.763181 where: bonds (distance) C4'-P energy: -59.575 bonds (distance) P-C4' energy: -62.372 flat angles C4'-P-C4' energy: -71.082 flat angles P-C4'-P energy: -51.592 tors. eta vs tors. theta energy: -89.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1021.612381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.612381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.612381 (E_RNA) where: Base-Base interactions energy: -688.719 where: short stacking energy: -318.009 Base-Backbone interact. energy: -4.439 local terms energy: -328.454665 where: bonds (distance) C4'-P energy: -69.033 bonds (distance) P-C4' energy: -55.042 flat angles C4'-P-C4' energy: -75.051 flat angles P-C4'-P energy: -44.841 tors. eta vs tors. theta energy: -84.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -978.328819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.328819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.328819 (E_RNA) where: Base-Base interactions energy: -672.144 where: short stacking energy: -292.084 Base-Backbone interact. energy: -0.479 local terms energy: -305.706389 where: bonds (distance) C4'-P energy: -41.153 bonds (distance) P-C4' energy: -63.073 flat angles C4'-P-C4' energy: -63.775 flat angles P-C4'-P energy: -55.293 tors. eta vs tors. theta energy: -82.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -879.669689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.669689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.669689 (E_RNA) where: Base-Base interactions energy: -588.213 where: short stacking energy: -274.972 Base-Backbone interact. energy: -1.981 local terms energy: -289.475306 where: bonds (distance) C4'-P energy: -53.795 bonds (distance) P-C4' energy: -65.080 flat angles C4'-P-C4' energy: -69.123 flat angles P-C4'-P energy: -30.439 tors. eta vs tors. theta energy: -71.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -868.885952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.885952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.885952 (E_RNA) where: Base-Base interactions energy: -585.129 where: short stacking energy: -263.304 Base-Backbone interact. energy: -0.617 local terms energy: -283.139375 where: bonds (distance) C4'-P energy: -58.965 bonds (distance) P-C4' energy: -52.377 flat angles C4'-P-C4' energy: -69.835 flat angles P-C4'-P energy: -39.893 tors. eta vs tors. theta energy: -62.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -786.016907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.016907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.016907 (E_RNA) where: Base-Base interactions energy: -526.151 where: short stacking energy: -222.369 Base-Backbone interact. energy: -1.340 local terms energy: -258.525133 where: bonds (distance) C4'-P energy: -48.114 bonds (distance) P-C4' energy: -69.849 flat angles C4'-P-C4' energy: -62.464 flat angles P-C4'-P energy: -35.478 tors. eta vs tors. theta energy: -42.620 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: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -723.263136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.263136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.263136 (E_RNA) where: Base-Base interactions energy: -462.139 where: short stacking energy: -225.598 Base-Backbone interact. energy: -0.160 local terms energy: -260.963732 where: bonds (distance) C4'-P energy: -49.901 bonds (distance) P-C4' energy: -50.025 flat angles C4'-P-C4' energy: -64.533 flat angles P-C4'-P energy: -38.701 tors. eta vs tors. theta energy: -57.803 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: 8, replica: 4 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -671.371436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.371436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.371436 (E_RNA) where: Base-Base interactions energy: -440.354 where: short stacking energy: -205.197 Base-Backbone interact. energy: -1.485 local terms energy: -229.533058 where: bonds (distance) C4'-P energy: -49.521 bonds (distance) P-C4' energy: -62.452 flat angles C4'-P-C4' energy: -48.094 flat angles P-C4'-P energy: -29.959 tors. eta vs tors. theta energy: -39.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -561.853221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.853221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.853221 (E_RNA) where: Base-Base interactions energy: -338.715 where: short stacking energy: -162.556 Base-Backbone interact. energy: -0.773 local terms energy: -222.365492 where: bonds (distance) C4'-P energy: -39.494 bonds (distance) P-C4' energy: -55.290 flat angles C4'-P-C4' energy: -66.661 flat angles P-C4'-P energy: -34.889 tors. eta vs tors. theta energy: -26.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -417.206472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.206472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.206472 (E_RNA) where: Base-Base interactions energy: -242.716 where: short stacking energy: -133.564 Base-Backbone interact. energy: -1.122 local terms energy: -173.368906 where: bonds (distance) C4'-P energy: -47.001 bonds (distance) P-C4' energy: -54.449 flat angles C4'-P-C4' energy: -46.894 flat angles P-C4'-P energy: -21.680 tors. eta vs tors. theta energy: -3.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1150.541827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.541827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.541827 (E_RNA) where: Base-Base interactions energy: -791.216 where: short stacking energy: -338.924 Base-Backbone interact. energy: -1.702 local terms energy: -357.623933 where: bonds (distance) C4'-P energy: -71.183 bonds (distance) P-C4' energy: -65.214 flat angles C4'-P-C4' energy: -72.075 flat angles P-C4'-P energy: -51.733 tors. eta vs tors. theta energy: -97.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1026.567632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.567632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.567632 (E_RNA) where: Base-Base interactions energy: -698.828 where: short stacking energy: -309.278 Base-Backbone interact. energy: -0.670 local terms energy: -327.069723 where: bonds (distance) C4'-P energy: -62.833 bonds (distance) P-C4' energy: -69.403 flat angles C4'-P-C4' energy: -73.651 flat angles P-C4'-P energy: -41.185 tors. eta vs tors. theta energy: -79.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -935.058809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.058809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.058809 (E_RNA) where: Base-Base interactions energy: -630.623 where: short stacking energy: -265.062 Base-Backbone interact. energy: -3.803 local terms energy: -300.632580 where: bonds (distance) C4'-P energy: -61.471 bonds (distance) P-C4' energy: -61.415 flat angles C4'-P-C4' energy: -68.543 flat angles P-C4'-P energy: -43.528 tors. eta vs tors. theta energy: -65.676 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: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -914.425976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.425976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.425976 (E_RNA) where: Base-Base interactions energy: -624.085 where: short stacking energy: -282.472 Base-Backbone interact. energy: 0.853 local terms energy: -291.193724 where: bonds (distance) C4'-P energy: -56.406 bonds (distance) P-C4' energy: -58.894 flat angles C4'-P-C4' energy: -66.135 flat angles P-C4'-P energy: -45.557 tors. eta vs tors. theta energy: -64.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -862.519185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.519185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.519185 (E_RNA) where: Base-Base interactions energy: -583.890 where: short stacking energy: -277.391 Base-Backbone interact. energy: -1.127 local terms energy: -277.501988 where: bonds (distance) C4'-P energy: -54.336 bonds (distance) P-C4' energy: -62.947 flat angles C4'-P-C4' energy: -59.461 flat angles P-C4'-P energy: -36.145 tors. eta vs tors. theta energy: -64.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -779.395357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.395357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.395357 (E_RNA) where: Base-Base interactions energy: -529.511 where: short stacking energy: -219.637 Base-Backbone interact. energy: -2.504 local terms energy: -247.380143 where: bonds (distance) C4'-P energy: -53.653 bonds (distance) P-C4' energy: -62.968 flat angles C4'-P-C4' energy: -62.774 flat angles P-C4'-P energy: -25.699 tors. eta vs tors. theta energy: -42.287 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: 35 Temperature: 1.200000 Total energy: -706.634330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.634330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.634330 (E_RNA) where: Base-Base interactions energy: -458.545 where: short stacking energy: -216.752 Base-Backbone interact. energy: -0.460 local terms energy: -247.629001 where: bonds (distance) C4'-P energy: -51.969 bonds (distance) P-C4' energy: -60.621 flat angles C4'-P-C4' energy: -53.701 flat angles P-C4'-P energy: -43.207 tors. eta vs tors. theta energy: -38.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -671.755752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.755752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.755752 (E_RNA) where: Base-Base interactions energy: -423.338 where: short stacking energy: -177.596 Base-Backbone interact. energy: -2.475 local terms energy: -245.942603 where: bonds (distance) C4'-P energy: -52.843 bonds (distance) P-C4' energy: -60.512 flat angles C4'-P-C4' energy: -60.231 flat angles P-C4'-P energy: -38.676 tors. eta vs tors. theta energy: -33.680 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: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -548.421155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.421155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.421155 (E_RNA) where: Base-Base interactions energy: -323.426 where: short stacking energy: -164.936 Base-Backbone interact. energy: -2.262 local terms energy: -222.732841 where: bonds (distance) C4'-P energy: -62.306 bonds (distance) P-C4' energy: -40.954 flat angles C4'-P-C4' energy: -54.318 flat angles P-C4'-P energy: -27.699 tors. eta vs tors. theta energy: -37.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -433.911266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.911266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.911266 (E_RNA) where: Base-Base interactions energy: -246.142 where: short stacking energy: -126.082 Base-Backbone interact. energy: 1.949 local terms energy: -189.717640 where: bonds (distance) C4'-P energy: -43.736 bonds (distance) P-C4' energy: -50.991 flat angles C4'-P-C4' energy: -56.090 flat angles P-C4'-P energy: -27.504 tors. eta vs tors. theta energy: -11.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1163.000956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.000956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.000956 (E_RNA) where: Base-Base interactions energy: -812.467 where: short stacking energy: -344.187 Base-Backbone interact. energy: -3.347 local terms energy: -347.186884 where: bonds (distance) C4'-P energy: -62.760 bonds (distance) P-C4' energy: -60.063 flat angles C4'-P-C4' energy: -76.284 flat angles P-C4'-P energy: -49.266 tors. eta vs tors. theta energy: -98.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1061.436669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.436669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.436669 (E_RNA) where: Base-Base interactions energy: -726.098 where: short stacking energy: -342.227 Base-Backbone interact. energy: -2.322 local terms energy: -333.017204 where: bonds (distance) C4'-P energy: -66.035 bonds (distance) P-C4' energy: -68.941 flat angles C4'-P-C4' energy: -70.891 flat angles P-C4'-P energy: -43.529 tors. eta vs tors. theta energy: -83.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -941.819497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.819497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.819497 (E_RNA) where: Base-Base interactions energy: -623.953 where: short stacking energy: -296.255 Base-Backbone interact. energy: -3.321 local terms energy: -314.544620 where: bonds (distance) C4'-P energy: -56.296 bonds (distance) P-C4' energy: -68.151 flat angles C4'-P-C4' energy: -67.428 flat angles P-C4'-P energy: -48.091 tors. eta vs tors. theta energy: -74.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -921.454644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.454644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.454644 (E_RNA) where: Base-Base interactions energy: -645.332 where: short stacking energy: -265.069 Base-Backbone interact. energy: -1.324 local terms energy: -274.798770 where: bonds (distance) C4'-P energy: -49.647 bonds (distance) P-C4' energy: -60.941 flat angles C4'-P-C4' energy: -58.478 flat angles P-C4'-P energy: -35.040 tors. eta vs tors. theta energy: -70.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -818.247910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.247910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.247910 (E_RNA) where: Base-Base interactions energy: -554.163 where: short stacking energy: -235.795 Base-Backbone interact. energy: -0.913 local terms energy: -263.171662 where: bonds (distance) C4'-P energy: -61.234 bonds (distance) P-C4' energy: -50.874 flat angles C4'-P-C4' energy: -69.305 flat angles P-C4'-P energy: -37.929 tors. eta vs tors. theta energy: -43.829 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: 36 Temperature: 1.150000 Total energy: -811.435684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.435684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.435684 (E_RNA) where: Base-Base interactions energy: -568.339 where: short stacking energy: -234.477 Base-Backbone interact. energy: 0.620 local terms energy: -243.716461 where: bonds (distance) C4'-P energy: -44.116 bonds (distance) P-C4' energy: -61.184 flat angles C4'-P-C4' energy: -51.880 flat angles P-C4'-P energy: -44.297 tors. eta vs tors. theta energy: -42.239 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: 36 Temperature: 1.200000 Total energy: -698.018735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.018735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.018735 (E_RNA) where: Base-Base interactions energy: -435.454 where: short stacking energy: -215.950 Base-Backbone interact. energy: -1.484 local terms energy: -261.081136 where: bonds (distance) C4'-P energy: -55.246 bonds (distance) P-C4' energy: -61.211 flat angles C4'-P-C4' energy: -60.493 flat angles P-C4'-P energy: -31.715 tors. eta vs tors. theta energy: -52.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -680.162597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.162597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.162597 (E_RNA) where: Base-Base interactions energy: -431.575 where: short stacking energy: -204.770 Base-Backbone interact. energy: 0.240 local terms energy: -248.827673 where: bonds (distance) C4'-P energy: -47.365 bonds (distance) P-C4' energy: -59.693 flat angles C4'-P-C4' energy: -56.156 flat angles P-C4'-P energy: -37.172 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: 9, replica: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -565.338872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.338872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.338872 (E_RNA) where: Base-Base interactions energy: -370.038 where: short stacking energy: -155.951 Base-Backbone interact. energy: 0.383 local terms energy: -195.683134 where: bonds (distance) C4'-P energy: -50.813 bonds (distance) P-C4' energy: -56.090 flat angles C4'-P-C4' energy: -44.180 flat angles P-C4'-P energy: -25.290 tors. eta vs tors. theta energy: -19.310 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: 8 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -479.874603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.874603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.874603 (E_RNA) where: Base-Base interactions energy: -279.958 where: short stacking energy: -153.757 Base-Backbone interact. energy: -2.435 local terms energy: -197.482151 where: bonds (distance) C4'-P energy: -54.444 bonds (distance) P-C4' energy: -44.487 flat angles C4'-P-C4' energy: -47.663 flat angles P-C4'-P energy: -26.731 tors. eta vs tors. theta energy: -24.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1137.551482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.551482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.551482 (E_RNA) where: Base-Base interactions energy: -793.602 where: short stacking energy: -335.536 Base-Backbone interact. energy: -2.992 local terms energy: -340.957584 where: bonds (distance) C4'-P energy: -63.670 bonds (distance) P-C4' energy: -60.458 flat angles C4'-P-C4' energy: -76.717 flat angles P-C4'-P energy: -48.526 tors. eta vs tors. theta energy: -91.587 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: 7 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1062.065037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.065037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.065037 (E_RNA) where: Base-Base interactions energy: -724.838 where: short stacking energy: -337.443 Base-Backbone interact. energy: 1.355 local terms energy: -338.582433 where: bonds (distance) C4'-P energy: -67.585 bonds (distance) P-C4' energy: -59.634 flat angles C4'-P-C4' energy: -68.036 flat angles P-C4'-P energy: -48.741 tors. eta vs tors. theta energy: -94.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -959.879255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.879255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.879255 (E_RNA) where: Base-Base interactions energy: -630.633 where: short stacking energy: -302.265 Base-Backbone interact. energy: 0.027 local terms energy: -329.272686 where: bonds (distance) C4'-P energy: -69.694 bonds (distance) P-C4' energy: -63.585 flat angles C4'-P-C4' energy: -65.504 flat angles P-C4'-P energy: -49.715 tors. eta vs tors. theta energy: -80.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -934.949416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.949416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.949416 (E_RNA) where: Base-Base interactions energy: -635.309 where: short stacking energy: -270.800 Base-Backbone interact. energy: -2.190 local terms energy: -297.451105 where: bonds (distance) C4'-P energy: -57.099 bonds (distance) P-C4' energy: -64.984 flat angles C4'-P-C4' energy: -64.556 flat angles P-C4'-P energy: -39.240 tors. eta vs tors. theta energy: -71.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -844.572484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.572484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.572484 (E_RNA) where: Base-Base interactions energy: -557.592 where: short stacking energy: -266.393 Base-Backbone interact. energy: -1.178 local terms energy: -285.802561 where: bonds (distance) C4'-P energy: -55.274 bonds (distance) P-C4' energy: -61.252 flat angles C4'-P-C4' energy: -64.220 flat angles P-C4'-P energy: -38.408 tors. eta vs tors. theta energy: -66.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -789.640011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.640011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.640011 (E_RNA) where: Base-Base interactions energy: -532.118 where: short stacking energy: -213.897 Base-Backbone interact. energy: -1.767 local terms energy: -255.754889 where: bonds (distance) C4'-P energy: -53.848 bonds (distance) P-C4' energy: -58.326 flat angles C4'-P-C4' energy: -59.077 flat angles P-C4'-P energy: -39.133 tors. eta vs tors. theta energy: -45.372 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: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -705.168038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.168038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.168038 (E_RNA) where: Base-Base interactions energy: -449.688 where: short stacking energy: -228.743 Base-Backbone interact. energy: 0.632 local terms energy: -256.112771 where: bonds (distance) C4'-P energy: -58.285 bonds (distance) P-C4' energy: -50.060 flat angles C4'-P-C4' energy: -58.045 flat angles P-C4'-P energy: -35.182 tors. eta vs tors. theta energy: -54.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -702.022196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.022196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.022196 (E_RNA) where: Base-Base interactions energy: -450.663 where: short stacking energy: -194.041 Base-Backbone interact. energy: -3.624 local terms energy: -247.735154 where: bonds (distance) C4'-P energy: -54.667 bonds (distance) P-C4' energy: -49.108 flat angles C4'-P-C4' energy: -60.755 flat angles P-C4'-P energy: -38.970 tors. eta vs tors. theta energy: -44.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -601.851679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.851679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.851679 (E_RNA) where: Base-Base interactions energy: -378.932 where: short stacking energy: -172.150 Base-Backbone interact. energy: -1.531 local terms energy: -221.388169 where: bonds (distance) C4'-P energy: -51.031 bonds (distance) P-C4' energy: -51.687 flat angles C4'-P-C4' energy: -57.516 flat angles P-C4'-P energy: -35.830 tors. eta vs tors. theta energy: -25.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -468.458491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.458491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.458491 (E_RNA) where: Base-Base interactions energy: -267.051 where: short stacking energy: -127.356 Base-Backbone interact. energy: -2.399 local terms energy: -199.008842 where: bonds (distance) C4'-P energy: -44.946 bonds (distance) P-C4' energy: -57.620 flat angles C4'-P-C4' energy: -54.489 flat angles P-C4'-P energy: -33.527 tors. eta vs tors. theta energy: -8.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1147.148005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.148005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.148005 (E_RNA) where: Base-Base interactions energy: -806.223 where: short stacking energy: -351.177 Base-Backbone interact. energy: -2.630 local terms energy: -338.295008 where: bonds (distance) C4'-P energy: -60.796 bonds (distance) P-C4' energy: -60.565 flat angles C4'-P-C4' energy: -74.726 flat angles P-C4'-P energy: -47.597 tors. eta vs tors. theta energy: -94.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1068.000531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.000531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.000531 (E_RNA) where: Base-Base interactions energy: -748.178 where: short stacking energy: -321.574 Base-Backbone interact. energy: 0.256 local terms energy: -320.077931 where: bonds (distance) C4'-P energy: -58.990 bonds (distance) P-C4' energy: -61.818 flat angles C4'-P-C4' energy: -70.792 flat angles P-C4'-P energy: -41.486 tors. eta vs tors. theta energy: -86.992 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: 3 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -962.656571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.656571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.656571 (E_RNA) where: Base-Base interactions energy: -632.059 where: short stacking energy: -295.987 Base-Backbone interact. energy: 0.107 local terms energy: -330.705004 where: bonds (distance) C4'-P energy: -55.610 bonds (distance) P-C4' energy: -63.042 flat angles C4'-P-C4' energy: -76.968 flat angles P-C4'-P energy: -54.527 tors. eta vs tors. theta energy: -80.558 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: 1 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -963.224298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.224298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.224298 (E_RNA) where: Base-Base interactions energy: -660.560 where: short stacking energy: -299.260 Base-Backbone interact. energy: -3.096 local terms energy: -299.567843 where: bonds (distance) C4'-P energy: -60.543 bonds (distance) P-C4' energy: -59.557 flat angles C4'-P-C4' energy: -61.378 flat angles P-C4'-P energy: -45.786 tors. eta vs tors. theta energy: -72.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -869.180655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.180655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.180655 (E_RNA) where: Base-Base interactions energy: -596.922 where: short stacking energy: -262.505 Base-Backbone interact. energy: -1.310 local terms energy: -270.948726 where: bonds (distance) C4'-P energy: -58.226 bonds (distance) P-C4' energy: -54.991 flat angles C4'-P-C4' energy: -68.616 flat angles P-C4'-P energy: -35.761 tors. eta vs tors. theta energy: -53.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -797.409896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.409896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.409896 (E_RNA) where: Base-Base interactions energy: -540.672 where: short stacking energy: -222.624 Base-Backbone interact. energy: -1.018 local terms energy: -255.719736 where: bonds (distance) C4'-P energy: -54.585 bonds (distance) P-C4' energy: -68.367 flat angles C4'-P-C4' energy: -61.043 flat angles P-C4'-P energy: -35.504 tors. eta vs tors. theta energy: -36.221 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: 7, replica: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -687.384422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.384422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.384422 (E_RNA) where: Base-Base interactions energy: -445.378 where: short stacking energy: -188.662 Base-Backbone interact. energy: -0.831 local terms energy: -241.176135 where: bonds (distance) C4'-P energy: -55.412 bonds (distance) P-C4' energy: -56.674 flat angles C4'-P-C4' energy: -59.511 flat angles P-C4'-P energy: -35.602 tors. eta vs tors. theta energy: -33.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -646.413268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.413268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.413268 (E_RNA) where: Base-Base interactions energy: -423.353 where: short stacking energy: -191.631 Base-Backbone interact. energy: 0.126 local terms energy: -223.186164 where: bonds (distance) C4'-P energy: -45.164 bonds (distance) P-C4' energy: -47.563 flat angles C4'-P-C4' energy: -65.143 flat angles P-C4'-P energy: -35.282 tors. eta vs tors. theta energy: -30.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -629.377378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.377378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.377378 (E_RNA) where: Base-Base interactions energy: -424.465 where: short stacking energy: -192.947 Base-Backbone interact. energy: 2.250 local terms energy: -207.162531 where: bonds (distance) C4'-P energy: -47.290 bonds (distance) P-C4' energy: -57.576 flat angles C4'-P-C4' energy: -48.183 flat angles P-C4'-P energy: -36.632 tors. eta vs tors. theta energy: -17.481 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: 8 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -488.904687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.904687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.904687 (E_RNA) where: Base-Base interactions energy: -276.846 where: short stacking energy: -144.567 Base-Backbone interact. energy: -1.170 local terms energy: -210.888562 where: bonds (distance) C4'-P energy: -56.217 bonds (distance) P-C4' energy: -52.805 flat angles C4'-P-C4' energy: -60.803 flat angles P-C4'-P energy: -33.219 tors. eta vs tors. theta energy: -7.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1152.893784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.893784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.893784 (E_RNA) where: Base-Base interactions energy: -808.636 where: short stacking energy: -343.237 Base-Backbone interact. energy: -1.682 local terms energy: -342.576614 where: bonds (distance) C4'-P energy: -60.882 bonds (distance) P-C4' energy: -63.627 flat angles C4'-P-C4' energy: -76.640 flat angles P-C4'-P energy: -49.626 tors. eta vs tors. theta energy: -91.802 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: 2, replica: 7 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1086.210601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.210601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.210601 (E_RNA) where: Base-Base interactions energy: -751.349 where: short stacking energy: -332.942 Base-Backbone interact. energy: -1.150 local terms energy: -333.711104 where: bonds (distance) C4'-P energy: -64.168 bonds (distance) P-C4' energy: -66.560 flat angles C4'-P-C4' energy: -71.721 flat angles P-C4'-P energy: -45.139 tors. eta vs tors. theta energy: -86.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -951.183163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.183163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.183163 (E_RNA) where: Base-Base interactions energy: -629.870 where: short stacking energy: -319.130 Base-Backbone interact. energy: -1.148 local terms energy: -320.164972 where: bonds (distance) C4'-P energy: -61.668 bonds (distance) P-C4' energy: -61.631 flat angles C4'-P-C4' energy: -66.880 flat angles P-C4'-P energy: -38.352 tors. eta vs tors. theta energy: -91.634 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: 39 Temperature: 1.050000 Total energy: -955.041720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.041720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.041720 (E_RNA) where: Base-Base interactions energy: -648.861 where: short stacking energy: -282.974 Base-Backbone interact. energy: -1.202 local terms energy: -304.979104 where: bonds (distance) C4'-P energy: -60.366 bonds (distance) P-C4' energy: -58.114 flat angles C4'-P-C4' energy: -64.775 flat angles P-C4'-P energy: -46.873 tors. eta vs tors. theta energy: -74.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -813.280532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.280532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.280532 (E_RNA) where: Base-Base interactions energy: -524.978 where: short stacking energy: -245.497 Base-Backbone interact. energy: -1.940 local terms energy: -286.362740 where: bonds (distance) C4'-P energy: -58.274 bonds (distance) P-C4' energy: -60.121 flat angles C4'-P-C4' energy: -63.119 flat angles P-C4'-P energy: -43.585 tors. eta vs tors. theta energy: -61.264 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: 2 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -801.625100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.625100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.625100 (E_RNA) where: Base-Base interactions energy: -552.903 where: short stacking energy: -238.380 Base-Backbone interact. energy: 0.843 local terms energy: -249.565235 where: bonds (distance) C4'-P energy: -57.921 bonds (distance) P-C4' energy: -56.331 flat angles C4'-P-C4' energy: -60.016 flat angles P-C4'-P energy: -40.994 tors. eta vs tors. theta energy: -34.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -751.445145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.445145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.445145 (E_RNA) where: Base-Base interactions energy: -475.545 where: short stacking energy: -232.144 Base-Backbone interact. energy: 0.618 local terms energy: -276.518190 where: bonds (distance) C4'-P energy: -66.772 bonds (distance) P-C4' energy: -50.132 flat angles C4'-P-C4' energy: -63.980 flat angles P-C4'-P energy: -40.266 tors. eta vs tors. theta energy: -55.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -693.465877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.465877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.465877 (E_RNA) where: Base-Base interactions energy: -450.662 where: short stacking energy: -198.786 Base-Backbone interact. energy: 1.930 local terms energy: -244.734177 where: bonds (distance) C4'-P energy: -59.873 bonds (distance) P-C4' energy: -64.637 flat angles C4'-P-C4' energy: -56.745 flat angles P-C4'-P energy: -24.920 tors. eta vs tors. theta energy: -38.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -626.913969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.913969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.913969 (E_RNA) where: Base-Base interactions energy: -405.303 where: short stacking energy: -185.444 Base-Backbone interact. energy: -2.755 local terms energy: -218.856013 where: bonds (distance) C4'-P energy: -48.461 bonds (distance) P-C4' energy: -53.357 flat angles C4'-P-C4' energy: -55.708 flat angles P-C4'-P energy: -35.538 tors. eta vs tors. theta energy: -25.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -549.670523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.670523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.670523 (E_RNA) where: Base-Base interactions energy: -334.152 where: short stacking energy: -147.677 Base-Backbone interact. energy: -0.430 local terms energy: -215.088153 where: bonds (distance) C4'-P energy: -53.655 bonds (distance) P-C4' energy: -60.471 flat angles C4'-P-C4' energy: -52.208 flat angles P-C4'-P energy: -31.818 tors. eta vs tors. theta energy: -16.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1143.759431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.759431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.759431 (E_RNA) where: Base-Base interactions energy: -792.045 where: short stacking energy: -337.428 Base-Backbone interact. energy: -4.421 local terms energy: -347.293664 where: bonds (distance) C4'-P energy: -67.447 bonds (distance) P-C4' energy: -69.352 flat angles C4'-P-C4' energy: -74.613 flat angles P-C4'-P energy: -46.210 tors. eta vs tors. theta energy: -89.672 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: 2, replica: 7 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1045.685618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.685618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.685618 (E_RNA) where: Base-Base interactions energy: -719.930 where: short stacking energy: -307.971 Base-Backbone interact. energy: -1.000 local terms energy: -324.756120 where: bonds (distance) C4'-P energy: -67.382 bonds (distance) P-C4' energy: -63.653 flat angles C4'-P-C4' energy: -74.210 flat angles P-C4'-P energy: -38.885 tors. eta vs tors. theta energy: -80.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -953.675187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.675187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.675187 (E_RNA) where: Base-Base interactions energy: -650.248 where: short stacking energy: -294.556 Base-Backbone interact. energy: -0.062 local terms energy: -303.365795 where: bonds (distance) C4'-P energy: -49.830 bonds (distance) P-C4' energy: -68.691 flat angles C4'-P-C4' energy: -67.183 flat angles P-C4'-P energy: -49.762 tors. eta vs tors. theta energy: -67.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -941.178999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.178999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.178999 (E_RNA) where: Base-Base interactions energy: -621.365 where: short stacking energy: -305.348 Base-Backbone interact. energy: -1.697 local terms energy: -318.116829 where: bonds (distance) C4'-P energy: -55.903 bonds (distance) P-C4' energy: -64.515 flat angles C4'-P-C4' energy: -68.392 flat angles P-C4'-P energy: -48.414 tors. eta vs tors. theta energy: -80.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -819.421011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.421011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.421011 (E_RNA) where: Base-Base interactions energy: -539.712 where: short stacking energy: -235.272 Base-Backbone interact. energy: 0.001 local terms energy: -279.710147 where: bonds (distance) C4'-P energy: -53.544 bonds (distance) P-C4' energy: -60.737 flat angles C4'-P-C4' energy: -64.109 flat angles P-C4'-P energy: -40.979 tors. eta vs tors. theta energy: -60.341 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: 2 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -806.635206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.635206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.635206 (E_RNA) where: Base-Base interactions energy: -546.840 where: short stacking energy: -227.718 Base-Backbone interact. energy: -1.448 local terms energy: -258.346808 where: bonds (distance) C4'-P energy: -52.561 bonds (distance) P-C4' energy: -54.836 flat angles C4'-P-C4' energy: -62.588 flat angles P-C4'-P energy: -38.608 tors. eta vs tors. theta energy: -49.753 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: 40 Temperature: 1.200000 Total energy: -759.126155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.126155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.126155 (E_RNA) where: Base-Base interactions energy: -499.728 where: short stacking energy: -262.603 Base-Backbone interact. energy: 1.127 local terms energy: -260.525180 where: bonds (distance) C4'-P energy: -45.090 bonds (distance) P-C4' energy: -54.199 flat angles C4'-P-C4' energy: -64.407 flat angles P-C4'-P energy: -25.885 tors. eta vs tors. theta energy: -70.943 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: 8, replica: 9 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -674.308248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.308248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.308248 (E_RNA) where: Base-Base interactions energy: -443.330 where: short stacking energy: -193.084 Base-Backbone interact. energy: 1.046 local terms energy: -232.023948 where: bonds (distance) C4'-P energy: -46.087 bonds (distance) P-C4' energy: -63.522 flat angles C4'-P-C4' energy: -56.379 flat angles P-C4'-P energy: -30.288 tors. eta vs tors. theta energy: -35.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -648.787592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.787592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.787592 (E_RNA) where: Base-Base interactions energy: -420.548 where: short stacking energy: -207.198 Base-Backbone interact. energy: 1.814 local terms energy: -230.053594 where: bonds (distance) C4'-P energy: -52.111 bonds (distance) P-C4' energy: -45.670 flat angles C4'-P-C4' energy: -61.082 flat angles P-C4'-P energy: -32.542 tors. eta vs tors. theta energy: -38.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -625.459821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.459821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.459821 (E_RNA) where: Base-Base interactions energy: -393.383 where: short stacking energy: -163.851 Base-Backbone interact. energy: 0.826 local terms energy: -232.903191 where: bonds (distance) C4'-P energy: -46.663 bonds (distance) P-C4' energy: -60.820 flat angles C4'-P-C4' energy: -50.460 flat angles P-C4'-P energy: -38.227 tors. eta vs tors. theta energy: -36.732 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: 6 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1117.325064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.325064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.325064 (E_RNA) where: Base-Base interactions energy: -781.890 where: short stacking energy: -324.706 Base-Backbone interact. energy: -3.108 local terms energy: -332.327592 where: bonds (distance) C4'-P energy: -50.250 bonds (distance) P-C4' energy: -63.762 flat angles C4'-P-C4' energy: -72.875 flat angles P-C4'-P energy: -49.561 tors. eta vs tors. theta energy: -95.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1049.768043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.768043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.768043 (E_RNA) where: Base-Base interactions energy: -725.500 where: short stacking energy: -306.850 Base-Backbone interact. energy: 3.513 local terms energy: -327.781055 where: bonds (distance) C4'-P energy: -62.235 bonds (distance) P-C4' energy: -66.233 flat angles C4'-P-C4' energy: -78.246 flat angles P-C4'-P energy: -38.915 tors. eta vs tors. theta energy: -82.151 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: 3, replica: 1 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -990.491687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.491687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.491687 (E_RNA) where: Base-Base interactions energy: -680.321 where: short stacking energy: -303.682 Base-Backbone interact. energy: -1.908 local terms energy: -308.262226 where: bonds (distance) C4'-P energy: -52.672 bonds (distance) P-C4' energy: -62.935 flat angles C4'-P-C4' energy: -63.224 flat angles P-C4'-P energy: -43.313 tors. eta vs tors. theta energy: -86.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -912.786556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.786556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.786556 (E_RNA) where: Base-Base interactions energy: -601.725 where: short stacking energy: -288.520 Base-Backbone interact. energy: -0.687 local terms energy: -310.374042 where: bonds (distance) C4'-P energy: -61.444 bonds (distance) P-C4' energy: -62.051 flat angles C4'-P-C4' energy: -72.970 flat angles P-C4'-P energy: -40.488 tors. eta vs tors. theta energy: -73.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -845.595798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.595798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.595798 (E_RNA) where: Base-Base interactions energy: -548.993 where: short stacking energy: -235.100 Base-Backbone interact. energy: -2.878 local terms energy: -293.725553 where: bonds (distance) C4'-P energy: -63.825 bonds (distance) P-C4' energy: -56.562 flat angles C4'-P-C4' energy: -68.184 flat angles P-C4'-P energy: -40.245 tors. eta vs tors. theta energy: -64.909 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: 10 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -805.912887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.912887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.912887 (E_RNA) where: Base-Base interactions energy: -545.254 where: short stacking energy: -263.643 Base-Backbone interact. energy: -1.015 local terms energy: -259.643976 where: bonds (distance) C4'-P energy: -54.650 bonds (distance) P-C4' energy: -59.276 flat angles C4'-P-C4' energy: -52.649 flat angles P-C4'-P energy: -33.404 tors. eta vs tors. theta energy: -59.665 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: 41 Temperature: 1.200000 Total energy: -772.841319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.841319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.841319 (E_RNA) where: Base-Base interactions energy: -527.278 where: short stacking energy: -205.996 Base-Backbone interact. energy: -2.334 local terms energy: -243.229195 where: bonds (distance) C4'-P energy: -54.320 bonds (distance) P-C4' energy: -62.199 flat angles C4'-P-C4' energy: -49.307 flat angles P-C4'-P energy: -34.386 tors. eta vs tors. theta energy: -43.018 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: 9 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -686.527804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.527804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.527804 (E_RNA) where: Base-Base interactions energy: -456.482 where: short stacking energy: -201.312 Base-Backbone interact. energy: -1.908 local terms energy: -228.138585 where: bonds (distance) C4'-P energy: -39.704 bonds (distance) P-C4' energy: -53.487 flat angles C4'-P-C4' energy: -50.269 flat angles P-C4'-P energy: -41.007 tors. eta vs tors. theta energy: -43.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -636.183375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.183375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.183375 (E_RNA) where: Base-Base interactions energy: -421.748 where: short stacking energy: -204.715 Base-Backbone interact. energy: 0.159 local terms energy: -214.594429 where: bonds (distance) C4'-P energy: -51.797 bonds (distance) P-C4' energy: -39.019 flat angles C4'-P-C4' energy: -44.171 flat angles P-C4'-P energy: -31.810 tors. eta vs tors. theta energy: -47.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -587.459401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.459401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.459401 (E_RNA) where: Base-Base interactions energy: -394.030 where: short stacking energy: -147.323 Base-Backbone interact. energy: -1.848 local terms energy: -191.581233 where: bonds (distance) C4'-P energy: -35.910 bonds (distance) P-C4' energy: -44.124 flat angles C4'-P-C4' energy: -58.580 flat angles P-C4'-P energy: -28.647 tors. eta vs tors. theta energy: -24.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1143.914097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.914097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.914097 (E_RNA) where: Base-Base interactions energy: -807.166 where: short stacking energy: -327.478 Base-Backbone interact. energy: 1.333 local terms energy: -338.081405 where: bonds (distance) C4'-P energy: -60.454 bonds (distance) P-C4' energy: -70.030 flat angles C4'-P-C4' energy: -73.348 flat angles P-C4'-P energy: -43.507 tors. eta vs tors. theta energy: -90.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1077.615194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.615194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.615194 (E_RNA) where: Base-Base interactions energy: -746.904 where: short stacking energy: -324.023 Base-Backbone interact. energy: -1.630 local terms energy: -329.081853 where: bonds (distance) C4'-P energy: -60.212 bonds (distance) P-C4' energy: -64.465 flat angles C4'-P-C4' energy: -72.523 flat angles P-C4'-P energy: -45.120 tors. eta vs tors. theta energy: -86.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -990.771619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.771619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.771619 (E_RNA) where: Base-Base interactions energy: -685.015 where: short stacking energy: -316.980 Base-Backbone interact. energy: -0.544 local terms energy: -305.212290 where: bonds (distance) C4'-P energy: -55.178 bonds (distance) P-C4' energy: -57.896 flat angles C4'-P-C4' energy: -67.414 flat angles P-C4'-P energy: -42.250 tors. eta vs tors. theta energy: -82.475 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: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -865.584308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.584308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.584308 (E_RNA) where: Base-Base interactions energy: -558.240 where: short stacking energy: -268.890 Base-Backbone interact. energy: -0.928 local terms energy: -306.416250 where: bonds (distance) C4'-P energy: -60.382 bonds (distance) P-C4' energy: -68.699 flat angles C4'-P-C4' energy: -64.558 flat angles P-C4'-P energy: -45.808 tors. eta vs tors. theta energy: -66.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -870.899739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.899739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.899739 (E_RNA) where: Base-Base interactions energy: -593.166 where: short stacking energy: -265.021 Base-Backbone interact. energy: -2.054 local terms energy: -275.679348 where: bonds (distance) C4'-P energy: -49.335 bonds (distance) P-C4' energy: -53.537 flat angles C4'-P-C4' energy: -63.648 flat angles P-C4'-P energy: -43.610 tors. eta vs tors. theta energy: -65.550 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: 10 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -798.355812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.355812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.355812 (E_RNA) where: Base-Base interactions energy: -534.913 where: short stacking energy: -253.176 Base-Backbone interact. energy: -0.737 local terms energy: -262.705704 where: bonds (distance) C4'-P energy: -42.417 bonds (distance) P-C4' energy: -51.478 flat angles C4'-P-C4' energy: -72.113 flat angles P-C4'-P energy: -42.241 tors. eta vs tors. theta energy: -54.456 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: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -771.926637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.926637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.926637 (E_RNA) where: Base-Base interactions energy: -538.456 where: short stacking energy: -215.387 Base-Backbone interact. energy: 1.685 local terms energy: -235.155313 where: bonds (distance) C4'-P energy: -48.022 bonds (distance) P-C4' energy: -56.662 flat angles C4'-P-C4' energy: -55.480 flat angles P-C4'-P energy: -39.272 tors. eta vs tors. theta energy: -35.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -676.998508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.998508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.998508 (E_RNA) where: Base-Base interactions energy: -445.599 where: short stacking energy: -202.744 Base-Backbone interact. energy: -0.705 local terms energy: -230.693947 where: bonds (distance) C4'-P energy: -48.638 bonds (distance) P-C4' energy: -49.887 flat angles C4'-P-C4' energy: -56.721 flat angles P-C4'-P energy: -39.455 tors. eta vs tors. theta energy: -35.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -641.561832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.561832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.561832 (E_RNA) where: Base-Base interactions energy: -398.679 where: short stacking energy: -191.985 Base-Backbone interact. energy: 0.200 local terms energy: -243.082115 where: bonds (distance) C4'-P energy: -54.879 bonds (distance) P-C4' energy: -60.641 flat angles C4'-P-C4' energy: -51.192 flat angles P-C4'-P energy: -39.444 tors. eta vs tors. theta energy: -36.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -562.307803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.307803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.307803 (E_RNA) where: Base-Base interactions energy: -365.709 where: short stacking energy: -149.248 Base-Backbone interact. energy: -0.741 local terms energy: -195.857956 where: bonds (distance) C4'-P energy: -51.718 bonds (distance) P-C4' energy: -46.012 flat angles C4'-P-C4' energy: -45.285 flat angles P-C4'-P energy: -33.385 tors. eta vs tors. theta energy: -19.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1143.403765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.403765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.403765 (E_RNA) where: Base-Base interactions energy: -801.532 where: short stacking energy: -331.249 Base-Backbone interact. energy: -3.091 local terms energy: -338.780940 where: bonds (distance) C4'-P energy: -56.345 bonds (distance) P-C4' energy: -68.382 flat angles C4'-P-C4' energy: -74.863 flat angles P-C4'-P energy: -40.085 tors. eta vs tors. theta energy: -99.106 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: 2, replica: 7 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1067.728783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.728783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.728783 (E_RNA) where: Base-Base interactions energy: -745.000 where: short stacking energy: -327.348 Base-Backbone interact. energy: -0.972 local terms energy: -321.756084 where: bonds (distance) C4'-P energy: -53.089 bonds (distance) P-C4' energy: -69.995 flat angles C4'-P-C4' energy: -67.955 flat angles P-C4'-P energy: -50.919 tors. eta vs tors. theta energy: -79.798 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: 1 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -986.440529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.440529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.440529 (E_RNA) where: Base-Base interactions energy: -658.065 where: short stacking energy: -315.798 Base-Backbone interact. energy: -0.989 local terms energy: -327.386679 where: bonds (distance) C4'-P energy: -61.127 bonds (distance) P-C4' energy: -62.725 flat angles C4'-P-C4' energy: -70.527 flat angles P-C4'-P energy: -48.361 tors. eta vs tors. theta energy: -84.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -874.300122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.300122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.300122 (E_RNA) where: Base-Base interactions energy: -591.481 where: short stacking energy: -251.810 Base-Backbone interact. energy: -1.079 local terms energy: -281.739508 where: bonds (distance) C4'-P energy: -54.284 bonds (distance) P-C4' energy: -56.483 flat angles C4'-P-C4' energy: -62.010 flat angles P-C4'-P energy: -40.408 tors. eta vs tors. theta energy: -68.554 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: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -848.957193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.957193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.957193 (E_RNA) where: Base-Base interactions energy: -568.225 where: short stacking energy: -262.704 Base-Backbone interact. energy: -1.093 local terms energy: -279.638733 where: bonds (distance) C4'-P energy: -54.220 bonds (distance) P-C4' energy: -60.123 flat angles C4'-P-C4' energy: -65.597 flat angles P-C4'-P energy: -38.703 tors. eta vs tors. theta energy: -60.996 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: 10 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -798.544782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.544782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.544782 (E_RNA) where: Base-Base interactions energy: -519.756 where: short stacking energy: -257.432 Base-Backbone interact. energy: -1.710 local terms energy: -277.079144 where: bonds (distance) C4'-P energy: -47.296 bonds (distance) P-C4' energy: -52.541 flat angles C4'-P-C4' energy: -68.067 flat angles P-C4'-P energy: -46.526 tors. eta vs tors. theta energy: -62.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -743.115779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.115779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.115779 (E_RNA) where: Base-Base interactions energy: -488.064 where: short stacking energy: -218.370 Base-Backbone interact. energy: 1.325 local terms energy: -256.376919 where: bonds (distance) C4'-P energy: -68.976 bonds (distance) P-C4' energy: -52.745 flat angles C4'-P-C4' energy: -69.966 flat angles P-C4'-P energy: -25.965 tors. eta vs tors. theta energy: -38.725 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: 9 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -637.407980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.407980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.407980 (E_RNA) where: Base-Base interactions energy: -420.256 where: short stacking energy: -197.911 Base-Backbone interact. energy: -1.409 local terms energy: -215.742867 where: bonds (distance) C4'-P energy: -59.871 bonds (distance) P-C4' energy: -52.877 flat angles C4'-P-C4' energy: -43.222 flat angles P-C4'-P energy: -31.522 tors. eta vs tors. theta energy: -28.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -633.719697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.719697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.719697 (E_RNA) where: Base-Base interactions energy: -408.061 where: short stacking energy: -197.766 Base-Backbone interact. energy: -0.063 local terms energy: -225.595642 where: bonds (distance) C4'-P energy: -58.360 bonds (distance) P-C4' energy: -61.850 flat angles C4'-P-C4' energy: -41.353 flat angles P-C4'-P energy: -19.910 tors. eta vs tors. theta energy: -44.124 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: 4 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -495.948799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.948799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.948799 (E_RNA) where: Base-Base interactions energy: -278.107 where: short stacking energy: -128.543 Base-Backbone interact. energy: -1.183 local terms energy: -216.658984 where: bonds (distance) C4'-P energy: -57.115 bonds (distance) P-C4' energy: -64.703 flat angles C4'-P-C4' energy: -55.530 flat angles P-C4'-P energy: -12.730 tors. eta vs tors. theta energy: -26.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1157.617440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.617440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.617440 (E_RNA) where: Base-Base interactions energy: -815.780 where: short stacking energy: -330.337 Base-Backbone interact. energy: -2.161 local terms energy: -339.677160 where: bonds (distance) C4'-P energy: -63.684 bonds (distance) P-C4' energy: -61.790 flat angles C4'-P-C4' energy: -71.223 flat angles P-C4'-P energy: -50.058 tors. eta vs tors. theta energy: -92.922 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: 7 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1065.001504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.001504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.001504 (E_RNA) where: Base-Base interactions energy: -740.376 where: short stacking energy: -313.745 Base-Backbone interact. energy: 0.211 local terms energy: -324.836514 where: bonds (distance) C4'-P energy: -59.495 bonds (distance) P-C4' energy: -67.019 flat angles C4'-P-C4' energy: -69.944 flat angles P-C4'-P energy: -43.043 tors. eta vs tors. theta energy: -85.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1008.130866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.130866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.130866 (E_RNA) where: Base-Base interactions energy: -675.677 where: short stacking energy: -314.094 Base-Backbone interact. energy: -1.763 local terms energy: -330.690824 where: bonds (distance) C4'-P energy: -51.838 bonds (distance) P-C4' energy: -69.691 flat angles C4'-P-C4' energy: -76.294 flat angles P-C4'-P energy: -48.234 tors. eta vs tors. theta energy: -84.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -896.179906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.179906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.179906 (E_RNA) where: Base-Base interactions energy: -599.190 where: short stacking energy: -302.051 Base-Backbone interact. energy: -0.688 local terms energy: -296.302184 where: bonds (distance) C4'-P energy: -58.531 bonds (distance) P-C4' energy: -61.888 flat angles C4'-P-C4' energy: -59.041 flat angles P-C4'-P energy: -39.563 tors. eta vs tors. theta energy: -77.278 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: 10 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -851.793135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.793135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.793135 (E_RNA) where: Base-Base interactions energy: -558.704 where: short stacking energy: -255.728 Base-Backbone interact. energy: 0.097 local terms energy: -293.185687 where: bonds (distance) C4'-P energy: -59.354 bonds (distance) P-C4' energy: -47.347 flat angles C4'-P-C4' energy: -71.482 flat angles P-C4'-P energy: -46.094 tors. eta vs tors. theta energy: -68.909 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: 3 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -849.999316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.999316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.999316 (E_RNA) where: Base-Base interactions energy: -568.328 where: short stacking energy: -253.495 Base-Backbone interact. energy: -0.207 local terms energy: -281.464451 where: bonds (distance) C4'-P energy: -63.921 bonds (distance) P-C4' energy: -60.624 flat angles C4'-P-C4' energy: -67.118 flat angles P-C4'-P energy: -35.312 tors. eta vs tors. theta energy: -54.488 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: 7, replica: 2 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -757.653135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.653135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.653135 (E_RNA) where: Base-Base interactions energy: -515.791 where: short stacking energy: -221.715 Base-Backbone interact. energy: 4.641 local terms energy: -246.502897 where: bonds (distance) C4'-P energy: -60.085 bonds (distance) P-C4' energy: -49.709 flat angles C4'-P-C4' energy: -51.010 flat angles P-C4'-P energy: -37.714 tors. eta vs tors. theta energy: -47.985 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: 9 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -626.725126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.725126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.725126 (E_RNA) where: Base-Base interactions energy: -403.857 where: short stacking energy: -185.438 Base-Backbone interact. energy: -1.395 local terms energy: -221.472715 where: bonds (distance) C4'-P energy: -50.540 bonds (distance) P-C4' energy: -49.675 flat angles C4'-P-C4' energy: -60.744 flat angles P-C4'-P energy: -27.362 tors. eta vs tors. theta energy: -33.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -683.708462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.708462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.708462 (E_RNA) where: Base-Base interactions energy: -449.567 where: short stacking energy: -196.766 Base-Backbone interact. energy: 0.829 local terms energy: -234.970262 where: bonds (distance) C4'-P energy: -39.791 bonds (distance) P-C4' energy: -52.753 flat angles C4'-P-C4' energy: -63.940 flat angles P-C4'-P energy: -35.804 tors. eta vs tors. theta energy: -42.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -522.554954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.554954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.554954 (E_RNA) where: Base-Base interactions energy: -317.491 where: short stacking energy: -138.489 Base-Backbone interact. energy: 0.252 local terms energy: -205.316203 where: bonds (distance) C4'-P energy: -51.133 bonds (distance) P-C4' energy: -42.711 flat angles C4'-P-C4' energy: -54.673 flat angles P-C4'-P energy: -26.570 tors. eta vs tors. theta energy: -30.231 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: 6 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1146.212118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.212118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.212118 (E_RNA) where: Base-Base interactions energy: -792.923 where: short stacking energy: -335.241 Base-Backbone interact. energy: -2.328 local terms energy: -350.961151 where: bonds (distance) C4'-P energy: -68.955 bonds (distance) P-C4' energy: -65.840 flat angles C4'-P-C4' energy: -72.440 flat angles P-C4'-P energy: -50.326 tors. eta vs tors. theta energy: -93.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1062.439531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.439531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.439531 (E_RNA) where: Base-Base interactions energy: -734.795 where: short stacking energy: -328.030 Base-Backbone interact. energy: 0.093 local terms energy: -327.736952 where: bonds (distance) C4'-P energy: -62.620 bonds (distance) P-C4' energy: -64.542 flat angles C4'-P-C4' energy: -68.764 flat angles P-C4'-P energy: -47.603 tors. eta vs tors. theta energy: -84.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -994.183620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.183620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.183620 (E_RNA) where: Base-Base interactions energy: -676.369 where: short stacking energy: -318.414 Base-Backbone interact. energy: -2.747 local terms energy: -315.068179 where: bonds (distance) C4'-P energy: -61.930 bonds (distance) P-C4' energy: -60.134 flat angles C4'-P-C4' energy: -61.295 flat angles P-C4'-P energy: -42.743 tors. eta vs tors. theta energy: -88.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -924.674854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.674854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.674854 (E_RNA) where: Base-Base interactions energy: -622.977 where: short stacking energy: -296.995 Base-Backbone interact. energy: -0.470 local terms energy: -301.227759 where: bonds (distance) C4'-P energy: -55.825 bonds (distance) P-C4' energy: -58.244 flat angles C4'-P-C4' energy: -61.719 flat angles P-C4'-P energy: -39.105 tors. eta vs tors. theta energy: -86.334 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: 10 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -891.922979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.922979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.922979 (E_RNA) where: Base-Base interactions energy: -596.128 where: short stacking energy: -285.601 Base-Backbone interact. energy: -0.916 local terms energy: -294.878964 where: bonds (distance) C4'-P energy: -64.066 bonds (distance) P-C4' energy: -60.200 flat angles C4'-P-C4' energy: -59.027 flat angles P-C4'-P energy: -44.456 tors. eta vs tors. theta energy: -67.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -845.058210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.058210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.058210 (E_RNA) where: Base-Base interactions energy: -563.256 where: short stacking energy: -250.654 Base-Backbone interact. energy: 4.128 local terms energy: -285.929807 where: bonds (distance) C4'-P energy: -53.619 bonds (distance) P-C4' energy: -65.197 flat angles C4'-P-C4' energy: -65.540 flat angles P-C4'-P energy: -42.813 tors. eta vs tors. theta energy: -58.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -759.662126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.662126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.662126 (E_RNA) where: Base-Base interactions energy: -507.360 where: short stacking energy: -228.920 Base-Backbone interact. energy: 2.071 local terms energy: -254.372608 where: bonds (distance) C4'-P energy: -62.950 bonds (distance) P-C4' energy: -53.632 flat angles C4'-P-C4' energy: -61.376 flat angles P-C4'-P energy: -44.466 tors. eta vs tors. theta energy: -31.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -693.997672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.997672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.997672 (E_RNA) where: Base-Base interactions energy: -430.936 where: short stacking energy: -195.087 Base-Backbone interact. energy: 0.506 local terms energy: -263.567815 where: bonds (distance) C4'-P energy: -54.621 bonds (distance) P-C4' energy: -57.700 flat angles C4'-P-C4' energy: -68.008 flat angles P-C4'-P energy: -33.036 tors. eta vs tors. theta energy: -50.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -601.070182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.070182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.070182 (E_RNA) where: Base-Base interactions energy: -396.764 where: short stacking energy: -178.063 Base-Backbone interact. energy: -2.501 local terms energy: -201.804634 where: bonds (distance) C4'-P energy: -39.333 bonds (distance) P-C4' energy: -49.101 flat angles C4'-P-C4' energy: -54.369 flat angles P-C4'-P energy: -33.379 tors. eta vs tors. theta energy: -25.621 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: 10, replica: 4 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -541.585276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.585276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.585276 (E_RNA) where: Base-Base interactions energy: -324.157 where: short stacking energy: -155.722 Base-Backbone interact. energy: 1.189 local terms energy: -218.617738 where: bonds (distance) C4'-P energy: -53.387 bonds (distance) P-C4' energy: -61.292 flat angles C4'-P-C4' energy: -53.770 flat angles P-C4'-P energy: -32.272 tors. eta vs tors. theta energy: -17.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1141.077257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.077257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.077257 (E_RNA) where: Base-Base interactions energy: -810.505 where: short stacking energy: -348.896 Base-Backbone interact. energy: -3.504 local terms energy: -327.068389 where: bonds (distance) C4'-P energy: -56.458 bonds (distance) P-C4' energy: -60.982 flat angles C4'-P-C4' energy: -76.458 flat angles P-C4'-P energy: -43.664 tors. eta vs tors. theta energy: -89.506 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: 7 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1073.153451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.153451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.153451 (E_RNA) where: Base-Base interactions energy: -740.895 where: short stacking energy: -303.811 Base-Backbone interact. energy: -1.112 local terms energy: -331.145902 where: bonds (distance) C4'-P energy: -65.377 bonds (distance) P-C4' energy: -67.707 flat angles C4'-P-C4' energy: -70.916 flat angles P-C4'-P energy: -47.708 tors. eta vs tors. theta energy: -79.438 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: 1 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -979.981975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.981975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.981975 (E_RNA) where: Base-Base interactions energy: -654.963 where: short stacking energy: -300.901 Base-Backbone interact. energy: -2.208 local terms energy: -322.810963 where: bonds (distance) C4'-P energy: -56.110 bonds (distance) P-C4' energy: -72.329 flat angles C4'-P-C4' energy: -69.376 flat angles P-C4'-P energy: -42.549 tors. eta vs tors. theta energy: -82.447 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: 5 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -940.082928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.082928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.082928 (E_RNA) where: Base-Base interactions energy: -623.269 where: short stacking energy: -281.570 Base-Backbone interact. energy: -1.337 local terms energy: -315.477529 where: bonds (distance) C4'-P energy: -65.945 bonds (distance) P-C4' energy: -54.506 flat angles C4'-P-C4' energy: -70.514 flat angles P-C4'-P energy: -46.903 tors. eta vs tors. theta energy: -77.609 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: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -874.358900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.358900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.358900 (E_RNA) where: Base-Base interactions energy: -578.831 where: short stacking energy: -259.274 Base-Backbone interact. energy: -1.532 local terms energy: -293.996697 where: bonds (distance) C4'-P energy: -61.947 bonds (distance) P-C4' energy: -59.146 flat angles C4'-P-C4' energy: -66.154 flat angles P-C4'-P energy: -35.780 tors. eta vs tors. theta energy: -70.971 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: 10 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -805.460751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.460751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.460751 (E_RNA) where: Base-Base interactions energy: -533.969 where: short stacking energy: -251.594 Base-Backbone interact. energy: -1.599 local terms energy: -269.892932 where: bonds (distance) C4'-P energy: -42.200 bonds (distance) P-C4' energy: -52.962 flat angles C4'-P-C4' energy: -61.559 flat angles P-C4'-P energy: -45.137 tors. eta vs tors. theta energy: -68.034 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: 2 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -732.436052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.436052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.436052 (E_RNA) where: Base-Base interactions energy: -505.442 where: short stacking energy: -218.798 Base-Backbone interact. energy: 1.590 local terms energy: -228.584687 where: bonds (distance) C4'-P energy: -42.679 bonds (distance) P-C4' energy: -63.288 flat angles C4'-P-C4' energy: -55.097 flat angles P-C4'-P energy: -26.965 tors. eta vs tors. theta energy: -40.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -694.013440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.013440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.013440 (E_RNA) where: Base-Base interactions energy: -469.849 where: short stacking energy: -196.129 Base-Backbone interact. energy: -2.489 local terms energy: -221.674984 where: bonds (distance) C4'-P energy: -49.326 bonds (distance) P-C4' energy: -54.713 flat angles C4'-P-C4' energy: -61.811 flat angles P-C4'-P energy: -24.437 tors. eta vs tors. theta energy: -31.388 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: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -601.686721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.686721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.686721 (E_RNA) where: Base-Base interactions energy: -375.178 where: short stacking energy: -167.540 Base-Backbone interact. energy: -0.600 local terms energy: -225.909070 where: bonds (distance) C4'-P energy: -53.397 bonds (distance) P-C4' energy: -55.784 flat angles C4'-P-C4' energy: -52.948 flat angles P-C4'-P energy: -34.690 tors. eta vs tors. theta energy: -29.091 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: 4 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -606.021146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.021146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.021146 (E_RNA) where: Base-Base interactions energy: -384.120 where: short stacking energy: -165.673 Base-Backbone interact. energy: -1.389 local terms energy: -220.512041 where: bonds (distance) C4'-P energy: -49.043 bonds (distance) P-C4' energy: -55.880 flat angles C4'-P-C4' energy: -48.566 flat angles P-C4'-P energy: -33.505 tors. eta vs tors. theta energy: -33.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1124.988996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.988996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.988996 (E_RNA) where: Base-Base interactions energy: -770.824 where: short stacking energy: -333.567 Base-Backbone interact. energy: -1.257 local terms energy: -352.907126 where: bonds (distance) C4'-P energy: -64.456 bonds (distance) P-C4' energy: -67.695 flat angles C4'-P-C4' energy: -79.361 flat angles P-C4'-P energy: -46.628 tors. eta vs tors. theta energy: -94.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1060.769428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.769428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.769428 (E_RNA) where: Base-Base interactions energy: -723.174 where: short stacking energy: -307.024 Base-Backbone interact. energy: -1.247 local terms energy: -336.348304 where: bonds (distance) C4'-P energy: -67.487 bonds (distance) P-C4' energy: -69.206 flat angles C4'-P-C4' energy: -65.125 flat angles P-C4'-P energy: -47.450 tors. eta vs tors. theta energy: -87.080 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: 1 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -984.980715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.980715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.980715 (E_RNA) where: Base-Base interactions energy: -679.911 where: short stacking energy: -296.071 Base-Backbone interact. energy: -3.011 local terms energy: -302.059262 where: bonds (distance) C4'-P energy: -60.787 bonds (distance) P-C4' energy: -61.474 flat angles C4'-P-C4' energy: -60.603 flat angles P-C4'-P energy: -44.343 tors. eta vs tors. theta energy: -74.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -958.370237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.370237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.370237 (E_RNA) where: Base-Base interactions energy: -658.600 where: short stacking energy: -296.243 Base-Backbone interact. energy: -2.497 local terms energy: -297.273761 where: bonds (distance) C4'-P energy: -54.247 bonds (distance) P-C4' energy: -65.956 flat angles C4'-P-C4' energy: -63.938 flat angles P-C4'-P energy: -36.070 tors. eta vs tors. theta energy: -77.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -878.280306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.280306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.280306 (E_RNA) where: Base-Base interactions energy: -575.749 where: short stacking energy: -277.072 Base-Backbone interact. energy: -1.181 local terms energy: -301.349991 where: bonds (distance) C4'-P energy: -53.831 bonds (distance) P-C4' energy: -68.584 flat angles C4'-P-C4' energy: -66.567 flat angles P-C4'-P energy: -42.238 tors. eta vs tors. theta energy: -70.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -772.478408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.478408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.478408 (E_RNA) where: Base-Base interactions energy: -507.291 where: short stacking energy: -230.922 Base-Backbone interact. energy: -1.181 local terms energy: -264.006864 where: bonds (distance) C4'-P energy: -56.183 bonds (distance) P-C4' energy: -68.585 flat angles C4'-P-C4' energy: -57.191 flat angles P-C4'-P energy: -31.749 tors. eta vs tors. theta energy: -50.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -712.012598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.012598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.012598 (E_RNA) where: Base-Base interactions energy: -485.956 where: short stacking energy: -196.042 Base-Backbone interact. energy: -1.733 local terms energy: -224.323124 where: bonds (distance) C4'-P energy: -51.579 bonds (distance) P-C4' energy: -48.674 flat angles C4'-P-C4' energy: -54.777 flat angles P-C4'-P energy: -38.888 tors. eta vs tors. theta energy: -30.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -694.372732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.372732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.372732 (E_RNA) where: Base-Base interactions energy: -471.670 where: short stacking energy: -198.756 Base-Backbone interact. energy: -0.927 local terms energy: -221.775614 where: bonds (distance) C4'-P energy: -48.560 bonds (distance) P-C4' energy: -49.987 flat angles C4'-P-C4' energy: -47.677 flat angles P-C4'-P energy: -33.116 tors. eta vs tors. theta energy: -42.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -596.193914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.193914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.193914 (E_RNA) where: Base-Base interactions energy: -394.838 where: short stacking energy: -190.294 Base-Backbone interact. energy: 4.023 local terms energy: -205.378141 where: bonds (distance) C4'-P energy: -63.368 bonds (distance) P-C4' energy: -45.850 flat angles C4'-P-C4' energy: -58.347 flat angles P-C4'-P energy: -24.212 tors. eta vs tors. theta energy: -13.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -590.564657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.564657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.564657 (E_RNA) where: Base-Base interactions energy: -379.442 where: short stacking energy: -163.429 Base-Backbone interact. energy: 1.663 local terms energy: -212.785824 where: bonds (distance) C4'-P energy: -41.863 bonds (distance) P-C4' energy: -49.911 flat angles C4'-P-C4' energy: -60.849 flat angles P-C4'-P energy: -35.725 tors. eta vs tors. theta energy: -24.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1126.427811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.427811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.427811 (E_RNA) where: Base-Base interactions energy: -785.931 where: short stacking energy: -323.882 Base-Backbone interact. energy: -2.946 local terms energy: -337.550979 where: bonds (distance) C4'-P energy: -59.493 bonds (distance) P-C4' energy: -64.563 flat angles C4'-P-C4' energy: -68.566 flat angles P-C4'-P energy: -55.247 tors. eta vs tors. theta energy: -89.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1058.097561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.097561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.097561 (E_RNA) where: Base-Base interactions energy: -746.406 where: short stacking energy: -325.487 Base-Backbone interact. energy: -1.237 local terms energy: -310.454320 where: bonds (distance) C4'-P energy: -46.904 bonds (distance) P-C4' energy: -53.238 flat angles C4'-P-C4' energy: -77.045 flat angles P-C4'-P energy: -51.395 tors. eta vs tors. theta energy: -81.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -971.709328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.709328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.709328 (E_RNA) where: Base-Base interactions energy: -652.402 where: short stacking energy: -284.840 Base-Backbone interact. energy: -0.722 local terms energy: -318.584910 where: bonds (distance) C4'-P energy: -64.853 bonds (distance) P-C4' energy: -60.558 flat angles C4'-P-C4' energy: -69.931 flat angles P-C4'-P energy: -46.607 tors. eta vs tors. theta energy: -76.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -952.689514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.689514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.689514 (E_RNA) where: Base-Base interactions energy: -636.607 where: short stacking energy: -275.408 Base-Backbone interact. energy: -2.964 local terms energy: -313.119190 where: bonds (distance) C4'-P energy: -62.171 bonds (distance) P-C4' energy: -66.027 flat angles C4'-P-C4' energy: -70.240 flat angles P-C4'-P energy: -41.889 tors. eta vs tors. theta energy: -72.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -868.781992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.781992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.781992 (E_RNA) where: Base-Base interactions energy: -579.702 where: short stacking energy: -261.191 Base-Backbone interact. energy: -0.312 local terms energy: -288.768655 where: bonds (distance) C4'-P energy: -48.768 bonds (distance) P-C4' energy: -60.485 flat angles C4'-P-C4' energy: -63.494 flat angles P-C4'-P energy: -44.577 tors. eta vs tors. theta energy: -71.445 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: 10 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -785.806208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.806208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.806208 (E_RNA) where: Base-Base interactions energy: -517.701 where: short stacking energy: -229.087 Base-Backbone interact. energy: -0.046 local terms energy: -268.058964 where: bonds (distance) C4'-P energy: -54.532 bonds (distance) P-C4' energy: -61.977 flat angles C4'-P-C4' energy: -54.785 flat angles P-C4'-P energy: -50.680 tors. eta vs tors. theta energy: -46.086 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: 2 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -737.090352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.090352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.090352 (E_RNA) where: Base-Base interactions energy: -486.445 where: short stacking energy: -207.225 Base-Backbone interact. energy: -1.477 local terms energy: -249.168709 where: bonds (distance) C4'-P energy: -55.135 bonds (distance) P-C4' energy: -56.297 flat angles C4'-P-C4' energy: -54.634 flat angles P-C4'-P energy: -35.556 tors. eta vs tors. theta energy: -47.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -661.236795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.236795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.236795 (E_RNA) where: Base-Base interactions energy: -430.130 where: short stacking energy: -204.916 Base-Backbone interact. energy: -0.221 local terms energy: -230.885517 where: bonds (distance) C4'-P energy: -43.051 bonds (distance) P-C4' energy: -63.170 flat angles C4'-P-C4' energy: -66.347 flat angles P-C4'-P energy: -26.158 tors. eta vs tors. theta energy: -32.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -631.021556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.021556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.021556 (E_RNA) where: Base-Base interactions energy: -412.005 where: short stacking energy: -179.022 Base-Backbone interact. energy: -2.562 local terms energy: -216.454683 where: bonds (distance) C4'-P energy: -46.663 bonds (distance) P-C4' energy: -52.522 flat angles C4'-P-C4' energy: -44.137 flat angles P-C4'-P energy: -44.428 tors. eta vs tors. theta energy: -28.705 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: 4 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -560.708640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.708640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.708640 (E_RNA) where: Base-Base interactions energy: -353.098 where: short stacking energy: -155.449 Base-Backbone interact. energy: 0.766 local terms energy: -208.376411 where: bonds (distance) C4'-P energy: -46.491 bonds (distance) P-C4' energy: -56.244 flat angles C4'-P-C4' energy: -54.182 flat angles P-C4'-P energy: -25.686 tors. eta vs tors. theta energy: -25.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1141.760894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.760894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.760894 (E_RNA) where: Base-Base interactions energy: -808.085 where: short stacking energy: -347.892 Base-Backbone interact. energy: -4.062 local terms energy: -329.613781 where: bonds (distance) C4'-P energy: -68.628 bonds (distance) P-C4' energy: -52.604 flat angles C4'-P-C4' energy: -67.452 flat angles P-C4'-P energy: -50.593 tors. eta vs tors. theta energy: -90.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1066.161402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.161402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.161402 (E_RNA) where: Base-Base interactions energy: -739.601 where: short stacking energy: -331.512 Base-Backbone interact. energy: -1.630 local terms energy: -324.930140 where: bonds (distance) C4'-P energy: -65.057 bonds (distance) P-C4' energy: -58.307 flat angles C4'-P-C4' energy: -73.773 flat angles P-C4'-P energy: -47.384 tors. eta vs tors. theta energy: -80.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1004.590205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.590205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.590205 (E_RNA) where: Base-Base interactions energy: -695.919 where: short stacking energy: -307.107 Base-Backbone interact. energy: -1.650 local terms energy: -307.021091 where: bonds (distance) C4'-P energy: -67.546 bonds (distance) P-C4' energy: -64.057 flat angles C4'-P-C4' energy: -64.297 flat angles P-C4'-P energy: -38.713 tors. eta vs tors. theta energy: -72.409 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: 5 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -944.976676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.976676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.976676 (E_RNA) where: Base-Base interactions energy: -660.883 where: short stacking energy: -288.794 Base-Backbone interact. energy: -1.142 local terms energy: -282.951251 where: bonds (distance) C4'-P energy: -56.452 bonds (distance) P-C4' energy: -55.454 flat angles C4'-P-C4' energy: -64.853 flat angles P-C4'-P energy: -33.912 tors. eta vs tors. theta energy: -72.280 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: 5, replica: 3 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -838.014113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.014113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.014113 (E_RNA) where: Base-Base interactions energy: -568.967 where: short stacking energy: -255.735 Base-Backbone interact. energy: 3.494 local terms energy: -272.540836 where: bonds (distance) C4'-P energy: -58.324 bonds (distance) P-C4' energy: -60.898 flat angles C4'-P-C4' energy: -56.282 flat angles P-C4'-P energy: -39.354 tors. eta vs tors. theta energy: -57.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -771.564853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.564853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.564853 (E_RNA) where: Base-Base interactions energy: -509.707 where: short stacking energy: -248.005 Base-Backbone interact. energy: -1.156 local terms energy: -260.701884 where: bonds (distance) C4'-P energy: -49.917 bonds (distance) P-C4' energy: -57.342 flat angles C4'-P-C4' energy: -58.137 flat angles P-C4'-P energy: -43.873 tors. eta vs tors. theta energy: -51.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -739.819099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.819099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.819099 (E_RNA) where: Base-Base interactions energy: -503.438 where: short stacking energy: -216.502 Base-Backbone interact. energy: -0.155 local terms energy: -236.225750 where: bonds (distance) C4'-P energy: -44.802 bonds (distance) P-C4' energy: -61.553 flat angles C4'-P-C4' energy: -65.891 flat angles P-C4'-P energy: -26.210 tors. eta vs tors. theta energy: -37.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -672.246204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.246204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.246204 (E_RNA) where: Base-Base interactions energy: -428.825 where: short stacking energy: -191.079 Base-Backbone interact. energy: -1.707 local terms energy: -241.713500 where: bonds (distance) C4'-P energy: -57.317 bonds (distance) P-C4' energy: -51.972 flat angles C4'-P-C4' energy: -51.117 flat angles P-C4'-P energy: -38.995 tors. eta vs tors. theta energy: -42.313 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: 8 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -719.647192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.647192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.647192 (E_RNA) where: Base-Base interactions energy: -481.441 where: short stacking energy: -201.461 Base-Backbone interact. energy: -0.927 local terms energy: -237.279123 where: bonds (distance) C4'-P energy: -48.636 bonds (distance) P-C4' energy: -68.702 flat angles C4'-P-C4' energy: -45.833 flat angles P-C4'-P energy: -27.689 tors. eta vs tors. theta energy: -46.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -523.075905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.075905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.075905 (E_RNA) where: Base-Base interactions energy: -323.294 where: short stacking energy: -152.903 Base-Backbone interact. energy: -1.026 local terms energy: -198.756317 where: bonds (distance) C4'-P energy: -45.118 bonds (distance) P-C4' energy: -52.416 flat angles C4'-P-C4' energy: -56.411 flat angles P-C4'-P energy: -22.191 tors. eta vs tors. theta energy: -22.621 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: 6 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1152.044946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.044946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.044946 (E_RNA) where: Base-Base interactions energy: -797.823 where: short stacking energy: -342.268 Base-Backbone interact. energy: 1.132 local terms energy: -355.353286 where: bonds (distance) C4'-P energy: -64.183 bonds (distance) P-C4' energy: -69.624 flat angles C4'-P-C4' energy: -69.476 flat angles P-C4'-P energy: -56.085 tors. eta vs tors. theta energy: -95.985 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: 7 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1065.115695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.115695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.115695 (E_RNA) where: Base-Base interactions energy: -733.113 where: short stacking energy: -308.817 Base-Backbone interact. energy: -2.220 local terms energy: -329.782989 where: bonds (distance) C4'-P energy: -63.048 bonds (distance) P-C4' energy: -64.162 flat angles C4'-P-C4' energy: -74.018 flat angles P-C4'-P energy: -47.389 tors. eta vs tors. theta energy: -81.165 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: 1 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -983.699620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.699620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.699620 (E_RNA) where: Base-Base interactions energy: -672.009 where: short stacking energy: -310.606 Base-Backbone interact. energy: -1.430 local terms energy: -310.261282 where: bonds (distance) C4'-P energy: -62.331 bonds (distance) P-C4' energy: -57.116 flat angles C4'-P-C4' energy: -66.428 flat angles P-C4'-P energy: -41.543 tors. eta vs tors. theta energy: -82.843 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: 5 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -943.485797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.485797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.485797 (E_RNA) where: Base-Base interactions energy: -638.578 where: short stacking energy: -273.861 Base-Backbone interact. energy: -2.162 local terms energy: -302.745176 where: bonds (distance) C4'-P energy: -52.930 bonds (distance) P-C4' energy: -64.440 flat angles C4'-P-C4' energy: -65.921 flat angles P-C4'-P energy: -41.524 tors. eta vs tors. theta energy: -77.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -868.900679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.900679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.900679 (E_RNA) where: Base-Base interactions energy: -583.563 where: short stacking energy: -260.885 Base-Backbone interact. energy: -1.968 local terms energy: -283.368993 where: bonds (distance) C4'-P energy: -51.937 bonds (distance) P-C4' energy: -52.632 flat angles C4'-P-C4' energy: -61.353 flat angles P-C4'-P energy: -46.373 tors. eta vs tors. theta energy: -71.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -828.643543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.643543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.643543 (E_RNA) where: Base-Base interactions energy: -563.686 where: short stacking energy: -284.848 Base-Backbone interact. energy: -0.784 local terms energy: -264.173919 where: bonds (distance) C4'-P energy: -46.114 bonds (distance) P-C4' energy: -55.469 flat angles C4'-P-C4' energy: -66.587 flat angles P-C4'-P energy: -32.215 tors. eta vs tors. theta energy: -63.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -720.731038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.731038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.731038 (E_RNA) where: Base-Base interactions energy: -487.553 where: short stacking energy: -225.517 Base-Backbone interact. energy: 3.314 local terms energy: -236.491629 where: bonds (distance) C4'-P energy: -46.575 bonds (distance) P-C4' energy: -53.866 flat angles C4'-P-C4' energy: -44.804 flat angles P-C4'-P energy: -47.926 tors. eta vs tors. theta energy: -43.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -639.411375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.411375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.411375 (E_RNA) where: Base-Base interactions energy: -409.970 where: short stacking energy: -187.472 Base-Backbone interact. energy: -0.021 local terms energy: -229.420201 where: bonds (distance) C4'-P energy: -55.002 bonds (distance) P-C4' energy: -50.916 flat angles C4'-P-C4' energy: -57.599 flat angles P-C4'-P energy: -37.296 tors. eta vs tors. theta energy: -28.607 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: 8 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -704.044376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.044376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.044376 (E_RNA) where: Base-Base interactions energy: -443.673 where: short stacking energy: -211.965 Base-Backbone interact. energy: -2.588 local terms energy: -257.783398 where: bonds (distance) C4'-P energy: -48.068 bonds (distance) P-C4' energy: -46.562 flat angles C4'-P-C4' energy: -62.843 flat angles P-C4'-P energy: -39.625 tors. eta vs tors. theta energy: -60.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -560.772773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.772773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.772773 (E_RNA) where: Base-Base interactions energy: -356.818 where: short stacking energy: -165.670 Base-Backbone interact. energy: -1.721 local terms energy: -202.233225 where: bonds (distance) C4'-P energy: -57.861 bonds (distance) P-C4' energy: -50.787 flat angles C4'-P-C4' energy: -46.821 flat angles P-C4'-P energy: -15.764 tors. eta vs tors. theta energy: -31.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1147.817081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.817081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.817081 (E_RNA) where: Base-Base interactions energy: -799.596 where: short stacking energy: -325.469 Base-Backbone interact. energy: -5.069 local terms energy: -343.152059 where: bonds (distance) C4'-P energy: -70.854 bonds (distance) P-C4' energy: -62.134 flat angles C4'-P-C4' energy: -65.614 flat angles P-C4'-P energy: -48.240 tors. eta vs tors. theta energy: -96.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1102.226596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.226596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.226596 (E_RNA) where: Base-Base interactions energy: -769.286 where: short stacking energy: -336.745 Base-Backbone interact. energy: -0.806 local terms energy: -332.134404 where: bonds (distance) C4'-P energy: -62.988 bonds (distance) P-C4' energy: -61.749 flat angles C4'-P-C4' energy: -72.709 flat angles P-C4'-P energy: -44.101 tors. eta vs tors. theta energy: -90.588 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: 1 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -990.161417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.161417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.161417 (E_RNA) where: Base-Base interactions energy: -691.034 where: short stacking energy: -321.061 Base-Backbone interact. energy: -1.763 local terms energy: -297.364840 where: bonds (distance) C4'-P energy: -62.204 bonds (distance) P-C4' energy: -55.401 flat angles C4'-P-C4' energy: -60.930 flat angles P-C4'-P energy: -39.264 tors. eta vs tors. theta energy: -79.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1005.802200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.802200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.802200 (E_RNA) where: Base-Base interactions energy: -692.890 where: short stacking energy: -329.939 Base-Backbone interact. energy: -0.092 local terms energy: -312.820517 where: bonds (distance) C4'-P energy: -52.756 bonds (distance) P-C4' energy: -51.590 flat angles C4'-P-C4' energy: -75.845 flat angles P-C4'-P energy: -48.610 tors. eta vs tors. theta energy: -84.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -828.578312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.578312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.578312 (E_RNA) where: Base-Base interactions energy: -559.204 where: short stacking energy: -246.983 Base-Backbone interact. energy: 0.305 local terms energy: -269.679386 where: bonds (distance) C4'-P energy: -59.454 bonds (distance) P-C4' energy: -66.887 flat angles C4'-P-C4' energy: -56.521 flat angles P-C4'-P energy: -33.986 tors. eta vs tors. theta energy: -52.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -884.030563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.030563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.030563 (E_RNA) where: Base-Base interactions energy: -608.311 where: short stacking energy: -268.621 Base-Backbone interact. energy: -0.924 local terms energy: -274.795788 where: bonds (distance) C4'-P energy: -53.330 bonds (distance) P-C4' energy: -63.895 flat angles C4'-P-C4' energy: -52.377 flat angles P-C4'-P energy: -39.168 tors. eta vs tors. theta energy: -66.026 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: 7, replica: 2 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -725.122959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.122959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.122959 (E_RNA) where: Base-Base interactions energy: -480.545 where: short stacking energy: -209.720 Base-Backbone interact. energy: -0.768 local terms energy: -243.809610 where: bonds (distance) C4'-P energy: -52.806 bonds (distance) P-C4' energy: -57.177 flat angles C4'-P-C4' energy: -55.180 flat angles P-C4'-P energy: -36.064 tors. eta vs tors. theta energy: -42.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -718.108166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.108166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.108166 (E_RNA) where: Base-Base interactions energy: -466.436 where: short stacking energy: -224.849 Base-Backbone interact. energy: -2.158 local terms energy: -249.514053 where: bonds (distance) C4'-P energy: -43.030 bonds (distance) P-C4' energy: -64.168 flat angles C4'-P-C4' energy: -60.721 flat angles P-C4'-P energy: -34.247 tors. eta vs tors. theta energy: -47.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -616.041584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.041584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.041584 (E_RNA) where: Base-Base interactions energy: -404.925 where: short stacking energy: -186.558 Base-Backbone interact. energy: -0.083 local terms energy: -211.033168 where: bonds (distance) C4'-P energy: -45.151 bonds (distance) P-C4' energy: -49.526 flat angles C4'-P-C4' energy: -48.749 flat angles P-C4'-P energy: -33.414 tors. eta vs tors. theta energy: -34.193 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: 4 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -530.175060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.175060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.175060 (E_RNA) where: Base-Base interactions energy: -302.377 where: short stacking energy: -146.378 Base-Backbone interact. energy: -1.140 local terms energy: -226.657958 where: bonds (distance) C4'-P energy: -57.027 bonds (distance) P-C4' energy: -67.476 flat angles C4'-P-C4' energy: -45.718 flat angles P-C4'-P energy: -35.069 tors. eta vs tors. theta energy: -21.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1145.686255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.686255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.686255 (E_RNA) where: Base-Base interactions energy: -807.716 where: short stacking energy: -339.267 Base-Backbone interact. energy: -2.286 local terms energy: -335.684846 where: bonds (distance) C4'-P energy: -60.227 bonds (distance) P-C4' energy: -72.756 flat angles C4'-P-C4' energy: -63.278 flat angles P-C4'-P energy: -40.048 tors. eta vs tors. theta energy: -99.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1073.312949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.312949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.312949 (E_RNA) where: Base-Base interactions energy: -731.432 where: short stacking energy: -322.787 Base-Backbone interact. energy: -2.287 local terms energy: -339.593683 where: bonds (distance) C4'-P energy: -66.219 bonds (distance) P-C4' energy: -60.559 flat angles C4'-P-C4' energy: -73.885 flat angles P-C4'-P energy: -51.401 tors. eta vs tors. theta energy: -87.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -990.913829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.913829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.913829 (E_RNA) where: Base-Base interactions energy: -673.588 where: short stacking energy: -284.721 Base-Backbone interact. energy: -1.441 local terms energy: -315.885130 where: bonds (distance) C4'-P energy: -67.952 bonds (distance) P-C4' energy: -69.697 flat angles C4'-P-C4' energy: -69.969 flat angles P-C4'-P energy: -31.729 tors. eta vs tors. theta energy: -76.537 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: 1 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -939.244401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.244401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.244401 (E_RNA) where: Base-Base interactions energy: -638.663 where: short stacking energy: -297.781 Base-Backbone interact. energy: -1.653 local terms energy: -298.928668 where: bonds (distance) C4'-P energy: -53.620 bonds (distance) P-C4' energy: -59.050 flat angles C4'-P-C4' energy: -65.086 flat angles P-C4'-P energy: -47.376 tors. eta vs tors. theta energy: -73.797 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: 10 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -928.045567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.045567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.045567 (E_RNA) where: Base-Base interactions energy: -608.175 where: short stacking energy: -286.712 Base-Backbone interact. energy: 1.009 local terms energy: -320.879143 where: bonds (distance) C4'-P energy: -62.890 bonds (distance) P-C4' energy: -65.600 flat angles C4'-P-C4' energy: -68.761 flat angles P-C4'-P energy: -52.558 tors. eta vs tors. theta energy: -71.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -809.902215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.902215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.902215 (E_RNA) where: Base-Base interactions energy: -538.341 where: short stacking energy: -248.989 Base-Backbone interact. energy: -0.477 local terms energy: -271.084792 where: bonds (distance) C4'-P energy: -49.171 bonds (distance) P-C4' energy: -56.545 flat angles C4'-P-C4' energy: -59.152 flat angles P-C4'-P energy: -45.183 tors. eta vs tors. theta energy: -61.034 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: 8 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -759.815916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.815916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.815916 (E_RNA) where: Base-Base interactions energy: -509.102 where: short stacking energy: -232.269 Base-Backbone interact. energy: -0.527 local terms energy: -250.186961 where: bonds (distance) C4'-P energy: -47.186 bonds (distance) P-C4' energy: -55.117 flat angles C4'-P-C4' energy: -64.812 flat angles P-C4'-P energy: -36.219 tors. eta vs tors. theta energy: -46.853 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: 52 Temperature: 1.250000 Total energy: -705.845006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.845006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.845006 (E_RNA) where: Base-Base interactions energy: -469.495 where: short stacking energy: -212.243 Base-Backbone interact. energy: 0.245 local terms energy: -236.595130 where: bonds (distance) C4'-P energy: -51.869 bonds (distance) P-C4' energy: -53.957 flat angles C4'-P-C4' energy: -53.230 flat angles P-C4'-P energy: -31.541 tors. eta vs tors. theta energy: -45.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -600.494375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.494375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.494375 (E_RNA) where: Base-Base interactions energy: -377.474 where: short stacking energy: -168.827 Base-Backbone interact. energy: -0.520 local terms energy: -222.499862 where: bonds (distance) C4'-P energy: -48.275 bonds (distance) P-C4' energy: -48.382 flat angles C4'-P-C4' energy: -50.184 flat angles P-C4'-P energy: -42.242 tors. eta vs tors. theta energy: -33.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -486.789879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.789879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.789879 (E_RNA) where: Base-Base interactions energy: -295.487 where: short stacking energy: -140.742 Base-Backbone interact. energy: 0.988 local terms energy: -192.290476 where: bonds (distance) C4'-P energy: -53.432 bonds (distance) P-C4' energy: -51.436 flat angles C4'-P-C4' energy: -49.854 flat angles P-C4'-P energy: -23.521 tors. eta vs tors. theta energy: -14.048 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: 6 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1142.163961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.163961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.163961 (E_RNA) where: Base-Base interactions energy: -794.572 where: short stacking energy: -356.611 Base-Backbone interact. energy: -3.185 local terms energy: -344.406391 where: bonds (distance) C4'-P energy: -59.812 bonds (distance) P-C4' energy: -72.910 flat angles C4'-P-C4' energy: -78.906 flat angles P-C4'-P energy: -45.055 tors. eta vs tors. theta energy: -87.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1042.282153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.282153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.282153 (E_RNA) where: Base-Base interactions energy: -715.388 where: short stacking energy: -327.724 Base-Backbone interact. energy: -2.611 local terms energy: -324.283188 where: bonds (distance) C4'-P energy: -58.867 bonds (distance) P-C4' energy: -62.636 flat angles C4'-P-C4' energy: -69.368 flat angles P-C4'-P energy: -50.557 tors. eta vs tors. theta energy: -82.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1080.602095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.602095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.602095 (E_RNA) where: Base-Base interactions energy: -770.340 where: short stacking energy: -334.318 Base-Backbone interact. energy: -2.532 local terms energy: -307.729993 where: bonds (distance) C4'-P energy: -52.959 bonds (distance) P-C4' energy: -63.620 flat angles C4'-P-C4' energy: -67.670 flat angles P-C4'-P energy: -32.462 tors. eta vs tors. theta energy: -91.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -951.903296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.903296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.903296 (E_RNA) where: Base-Base interactions energy: -646.849 where: short stacking energy: -305.342 Base-Backbone interact. energy: -1.667 local terms energy: -303.387739 where: bonds (distance) C4'-P energy: -55.739 bonds (distance) P-C4' energy: -71.543 flat angles C4'-P-C4' energy: -63.658 flat angles P-C4'-P energy: -42.810 tors. eta vs tors. theta energy: -69.637 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: 5, replica: 10 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -897.996710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.996710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.996710 (E_RNA) where: Base-Base interactions energy: -602.993 where: short stacking energy: -274.326 Base-Backbone interact. energy: -1.389 local terms energy: -293.614321 where: bonds (distance) C4'-P energy: -62.008 bonds (distance) P-C4' energy: -67.002 flat angles C4'-P-C4' energy: -68.880 flat angles P-C4'-P energy: -37.751 tors. eta vs tors. theta energy: -57.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -775.961265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.961265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.961265 (E_RNA) where: Base-Base interactions energy: -516.380 where: short stacking energy: -245.655 Base-Backbone interact. energy: 0.237 local terms energy: -259.818786 where: bonds (distance) C4'-P energy: -49.834 bonds (distance) P-C4' energy: -61.691 flat angles C4'-P-C4' energy: -56.906 flat angles P-C4'-P energy: -32.340 tors. eta vs tors. theta energy: -59.047 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: 8 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -811.128756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.128756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.128756 (E_RNA) where: Base-Base interactions energy: -551.644 where: short stacking energy: -235.721 Base-Backbone interact. energy: 1.004 local terms energy: -260.488724 where: bonds (distance) C4'-P energy: -65.041 bonds (distance) P-C4' energy: -34.553 flat angles C4'-P-C4' energy: -63.638 flat angles P-C4'-P energy: -42.437 tors. eta vs tors. theta energy: -54.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -674.869640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.869640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.869640 (E_RNA) where: Base-Base interactions energy: -432.203 where: short stacking energy: -179.193 Base-Backbone interact. energy: 0.984 local terms energy: -243.650636 where: bonds (distance) C4'-P energy: -56.927 bonds (distance) P-C4' energy: -67.184 flat angles C4'-P-C4' energy: -62.573 flat angles P-C4'-P energy: -32.885 tors. eta vs tors. theta energy: -24.081 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: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -572.701850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.701850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.701850 (E_RNA) where: Base-Base interactions energy: -352.876 where: short stacking energy: -139.065 Base-Backbone interact. energy: 0.359 local terms energy: -220.184384 where: bonds (distance) C4'-P energy: -58.244 bonds (distance) P-C4' energy: -60.099 flat angles C4'-P-C4' energy: -52.455 flat angles P-C4'-P energy: -40.353 tors. eta vs tors. theta energy: -9.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -522.840132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.840132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.840132 (E_RNA) where: Base-Base interactions energy: -335.995 where: short stacking energy: -156.066 Base-Backbone interact. energy: -1.093 local terms energy: -185.751485 where: bonds (distance) C4'-P energy: -36.746 bonds (distance) P-C4' energy: -49.926 flat angles C4'-P-C4' energy: -49.548 flat angles P-C4'-P energy: -25.685 tors. eta vs tors. theta energy: -23.847 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: 6 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1131.709359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.709359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.709359 (E_RNA) where: Base-Base interactions energy: -782.491 where: short stacking energy: -326.162 Base-Backbone interact. energy: -2.608 local terms energy: -346.610681 where: bonds (distance) C4'-P energy: -69.507 bonds (distance) P-C4' energy: -58.963 flat angles C4'-P-C4' energy: -69.142 flat angles P-C4'-P energy: -50.679 tors. eta vs tors. theta energy: -98.321 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: 5 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1034.940411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.940411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.940411 (E_RNA) where: Base-Base interactions energy: -716.394 where: short stacking energy: -310.500 Base-Backbone interact. energy: 0.967 local terms energy: -319.513284 where: bonds (distance) C4'-P energy: -56.111 bonds (distance) P-C4' energy: -61.815 flat angles C4'-P-C4' energy: -70.690 flat angles P-C4'-P energy: -47.894 tors. eta vs tors. theta energy: -83.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1067.628772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.628772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.628772 (E_RNA) where: Base-Base interactions energy: -725.152 where: short stacking energy: -304.603 Base-Backbone interact. energy: 0.774 local terms energy: -343.251369 where: bonds (distance) C4'-P energy: -66.013 bonds (distance) P-C4' energy: -68.165 flat angles C4'-P-C4' energy: -73.145 flat angles P-C4'-P energy: -53.593 tors. eta vs tors. theta energy: -82.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -944.680356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.680356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.680356 (E_RNA) where: Base-Base interactions energy: -636.113 where: short stacking energy: -285.680 Base-Backbone interact. energy: 1.806 local terms energy: -310.372775 where: bonds (distance) C4'-P energy: -62.867 bonds (distance) P-C4' energy: -61.134 flat angles C4'-P-C4' energy: -75.823 flat angles P-C4'-P energy: -35.590 tors. eta vs tors. theta energy: -74.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -906.915880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.915880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.915880 (E_RNA) where: Base-Base interactions energy: -599.351 where: short stacking energy: -276.202 Base-Backbone interact. energy: 1.861 local terms energy: -309.425969 where: bonds (distance) C4'-P energy: -64.673 bonds (distance) P-C4' energy: -52.416 flat angles C4'-P-C4' energy: -70.887 flat angles P-C4'-P energy: -43.271 tors. eta vs tors. theta energy: -78.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -797.999634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.999634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.999634 (E_RNA) where: Base-Base interactions energy: -534.433 where: short stacking energy: -251.026 Base-Backbone interact. energy: -1.043 local terms energy: -262.523363 where: bonds (distance) C4'-P energy: -49.974 bonds (distance) P-C4' energy: -49.221 flat angles C4'-P-C4' energy: -60.627 flat angles P-C4'-P energy: -44.472 tors. eta vs tors. theta energy: -58.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -786.309157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.309157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.309157 (E_RNA) where: Base-Base interactions energy: -520.100 where: short stacking energy: -231.031 Base-Backbone interact. energy: 0.168 local terms energy: -266.376446 where: bonds (distance) C4'-P energy: -49.118 bonds (distance) P-C4' energy: -64.676 flat angles C4'-P-C4' energy: -58.151 flat angles P-C4'-P energy: -42.403 tors. eta vs tors. theta energy: -52.028 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: 2 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -678.952926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.952926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.952926 (E_RNA) where: Base-Base interactions energy: -441.166 where: short stacking energy: -196.436 Base-Backbone interact. energy: 3.849 local terms energy: -241.636245 where: bonds (distance) C4'-P energy: -57.366 bonds (distance) P-C4' energy: -49.269 flat angles C4'-P-C4' energy: -59.593 flat angles P-C4'-P energy: -39.555 tors. eta vs tors. theta energy: -35.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -529.384196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.384196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.384196 (E_RNA) where: Base-Base interactions energy: -306.551 where: short stacking energy: -162.501 Base-Backbone interact. energy: -1.232 local terms energy: -221.600756 where: bonds (distance) C4'-P energy: -42.552 bonds (distance) P-C4' energy: -62.951 flat angles C4'-P-C4' energy: -47.679 flat angles P-C4'-P energy: -35.035 tors. eta vs tors. theta energy: -33.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -573.605241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.605241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.605241 (E_RNA) where: Base-Base interactions energy: -369.843 where: short stacking energy: -159.897 Base-Backbone interact. energy: 0.590 local terms energy: -204.352681 where: bonds (distance) C4'-P energy: -48.270 bonds (distance) P-C4' energy: -43.276 flat angles C4'-P-C4' energy: -62.352 flat angles P-C4'-P energy: -26.820 tors. eta vs tors. theta energy: -23.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1152.513250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.513250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.513250 (E_RNA) where: Base-Base interactions energy: -821.235 where: short stacking energy: -340.796 Base-Backbone interact. energy: 1.216 local terms energy: -332.493962 where: bonds (distance) C4'-P energy: -66.580 bonds (distance) P-C4' energy: -63.400 flat angles C4'-P-C4' energy: -62.257 flat angles P-C4'-P energy: -47.622 tors. eta vs tors. theta energy: -92.636 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: 7 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1103.090611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.090611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.090611 (E_RNA) where: Base-Base interactions energy: -749.108 where: short stacking energy: -343.390 Base-Backbone interact. energy: 0.797 local terms energy: -354.780207 where: bonds (distance) C4'-P energy: -65.807 bonds (distance) P-C4' energy: -68.484 flat angles C4'-P-C4' energy: -71.919 flat angles P-C4'-P energy: -48.841 tors. eta vs tors. theta energy: -99.729 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: 55 Temperature: 1.000000 Total energy: -1042.721817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.721817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.721817 (E_RNA) where: Base-Base interactions energy: -715.901 where: short stacking energy: -317.538 Base-Backbone interact. energy: -0.857 local terms energy: -325.964361 where: bonds (distance) C4'-P energy: -61.894 bonds (distance) P-C4' energy: -57.748 flat angles C4'-P-C4' energy: -68.789 flat angles P-C4'-P energy: -53.827 tors. eta vs tors. theta energy: -83.707 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: 10 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -911.735333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.735333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.735333 (E_RNA) where: Base-Base interactions energy: -619.403 where: short stacking energy: -298.550 Base-Backbone interact. energy: -0.979 local terms energy: -291.352427 where: bonds (distance) C4'-P energy: -51.365 bonds (distance) P-C4' energy: -52.205 flat angles C4'-P-C4' energy: -66.228 flat angles P-C4'-P energy: -45.159 tors. eta vs tors. theta energy: -76.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -899.685562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.685562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.685562 (E_RNA) where: Base-Base interactions energy: -620.644 where: short stacking energy: -273.307 Base-Backbone interact. energy: 0.056 local terms energy: -279.097231 where: bonds (distance) C4'-P energy: -57.635 bonds (distance) P-C4' energy: -50.786 flat angles C4'-P-C4' energy: -65.596 flat angles P-C4'-P energy: -36.688 tors. eta vs tors. theta energy: -68.392 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: 6, replica: 3 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -820.137408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.137408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.137408 (E_RNA) where: Base-Base interactions energy: -527.298 where: short stacking energy: -252.770 Base-Backbone interact. energy: -0.609 local terms energy: -292.230575 where: bonds (distance) C4'-P energy: -52.256 bonds (distance) P-C4' energy: -67.389 flat angles C4'-P-C4' energy: -66.718 flat angles P-C4'-P energy: -41.890 tors. eta vs tors. theta energy: -63.977 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: 8 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -761.180927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.180927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.180927 (E_RNA) where: Base-Base interactions energy: -479.584 where: short stacking energy: -218.065 Base-Backbone interact. energy: -1.334 local terms energy: -280.263597 where: bonds (distance) C4'-P energy: -53.927 bonds (distance) P-C4' energy: -66.280 flat angles C4'-P-C4' energy: -67.104 flat angles P-C4'-P energy: -46.511 tors. eta vs tors. theta energy: -46.441 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: 8, replica: 2 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -694.564289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.564289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.564289 (E_RNA) where: Base-Base interactions energy: -459.036 where: short stacking energy: -201.689 Base-Backbone interact. energy: -1.217 local terms energy: -234.311266 where: bonds (distance) C4'-P energy: -46.819 bonds (distance) P-C4' energy: -65.196 flat angles C4'-P-C4' energy: -53.253 flat angles P-C4'-P energy: -37.214 tors. eta vs tors. theta energy: -31.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -560.439237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.439237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.439237 (E_RNA) where: Base-Base interactions energy: -318.866 where: short stacking energy: -155.023 Base-Backbone interact. energy: -1.661 local terms energy: -239.912208 where: bonds (distance) C4'-P energy: -57.099 bonds (distance) P-C4' energy: -63.560 flat angles C4'-P-C4' energy: -61.571 flat angles P-C4'-P energy: -33.444 tors. eta vs tors. theta energy: -24.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -593.342874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.342874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.342874 (E_RNA) where: Base-Base interactions energy: -385.364 where: short stacking energy: -195.378 Base-Backbone interact. energy: 2.742 local terms energy: -210.720986 where: bonds (distance) C4'-P energy: -48.656 bonds (distance) P-C4' energy: -37.238 flat angles C4'-P-C4' energy: -51.213 flat angles P-C4'-P energy: -33.675 tors. eta vs tors. theta energy: -39.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1160.842784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.842784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.842784 (E_RNA) where: Base-Base interactions energy: -790.388 where: short stacking energy: -333.936 Base-Backbone interact. energy: -3.679 local terms energy: -366.775626 where: bonds (distance) C4'-P energy: -59.465 bonds (distance) P-C4' energy: -76.411 flat angles C4'-P-C4' energy: -73.696 flat angles P-C4'-P energy: -54.105 tors. eta vs tors. theta energy: -103.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1087.893664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.893664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.893664 (E_RNA) where: Base-Base interactions energy: -748.064 where: short stacking energy: -327.400 Base-Backbone interact. energy: 0.682 local terms energy: -340.511609 where: bonds (distance) C4'-P energy: -71.822 bonds (distance) P-C4' energy: -64.656 flat angles C4'-P-C4' energy: -68.826 flat angles P-C4'-P energy: -43.019 tors. eta vs tors. theta energy: -92.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1002.612738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.612738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.612738 (E_RNA) where: Base-Base interactions energy: -687.417 where: short stacking energy: -305.307 Base-Backbone interact. energy: -3.392 local terms energy: -311.803571 where: bonds (distance) C4'-P energy: -62.252 bonds (distance) P-C4' energy: -53.932 flat angles C4'-P-C4' energy: -71.909 flat angles P-C4'-P energy: -51.218 tors. eta vs tors. theta energy: -72.493 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: 4, replica: 10 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -956.220280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.220280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.220280 (E_RNA) where: Base-Base interactions energy: -628.288 where: short stacking energy: -315.858 Base-Backbone interact. energy: -0.574 local terms energy: -327.358154 where: bonds (distance) C4'-P energy: -66.126 bonds (distance) P-C4' energy: -61.285 flat angles C4'-P-C4' energy: -63.805 flat angles P-C4'-P energy: -46.827 tors. eta vs tors. theta energy: -89.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -824.317524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.317524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.317524 (E_RNA) where: Base-Base interactions energy: -550.285 where: short stacking energy: -242.169 Base-Backbone interact. energy: -0.720 local terms energy: -273.312364 where: bonds (distance) C4'-P energy: -54.975 bonds (distance) P-C4' energy: -62.523 flat angles C4'-P-C4' energy: -52.085 flat angles P-C4'-P energy: -42.200 tors. eta vs tors. theta energy: -61.529 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: 1 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -834.177505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.177505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.177505 (E_RNA) where: Base-Base interactions energy: -567.619 where: short stacking energy: -268.050 Base-Backbone interact. energy: -0.969 local terms energy: -265.590047 where: bonds (distance) C4'-P energy: -45.288 bonds (distance) P-C4' energy: -51.662 flat angles C4'-P-C4' energy: -56.685 flat angles P-C4'-P energy: -48.492 tors. eta vs tors. theta energy: -63.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -738.071797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.071797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.071797 (E_RNA) where: Base-Base interactions energy: -492.806 where: short stacking energy: -222.887 Base-Backbone interact. energy: -0.612 local terms energy: -244.654056 where: bonds (distance) C4'-P energy: -57.347 bonds (distance) P-C4' energy: -55.354 flat angles C4'-P-C4' energy: -53.441 flat angles P-C4'-P energy: -39.124 tors. eta vs tors. theta energy: -39.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -716.768945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.768945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.768945 (E_RNA) where: Base-Base interactions energy: -494.544 where: short stacking energy: -228.021 Base-Backbone interact. energy: 0.614 local terms energy: -222.838855 where: bonds (distance) C4'-P energy: -45.009 bonds (distance) P-C4' energy: -48.174 flat angles C4'-P-C4' energy: -57.513 flat angles P-C4'-P energy: -35.019 tors. eta vs tors. theta energy: -37.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -553.560603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.560603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.560603 (E_RNA) where: Base-Base interactions energy: -354.842 where: short stacking energy: -153.937 Base-Backbone interact. energy: -2.442 local terms energy: -196.276266 where: bonds (distance) C4'-P energy: -40.404 bonds (distance) P-C4' energy: -59.534 flat angles C4'-P-C4' energy: -57.198 flat angles P-C4'-P energy: -27.266 tors. eta vs tors. theta energy: -11.874 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: 4 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -593.921521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.921521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.921521 (E_RNA) where: Base-Base interactions energy: -390.373 where: short stacking energy: -173.695 Base-Backbone interact. energy: 4.771 local terms energy: -208.318879 where: bonds (distance) C4'-P energy: -54.832 bonds (distance) P-C4' energy: -53.174 flat angles C4'-P-C4' energy: -46.262 flat angles P-C4'-P energy: -26.260 tors. eta vs tors. theta energy: -27.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1141.571758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.571758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.571758 (E_RNA) where: Base-Base interactions energy: -779.404 where: short stacking energy: -326.502 Base-Backbone interact. energy: -3.458 local terms energy: -358.709850 where: bonds (distance) C4'-P energy: -70.172 bonds (distance) P-C4' energy: -68.387 flat angles C4'-P-C4' energy: -73.847 flat angles P-C4'-P energy: -48.368 tors. eta vs tors. theta energy: -97.936 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: 2, replica: 7 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1086.673087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.673087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.673087 (E_RNA) where: Base-Base interactions energy: -758.586 where: short stacking energy: -337.054 Base-Backbone interact. energy: -1.509 local terms energy: -326.578483 where: bonds (distance) C4'-P energy: -49.340 bonds (distance) P-C4' energy: -65.599 flat angles C4'-P-C4' energy: -79.826 flat angles P-C4'-P energy: -48.201 tors. eta vs tors. theta energy: -83.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1022.891613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.891613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.891613 (E_RNA) where: Base-Base interactions energy: -712.941 where: short stacking energy: -336.949 Base-Backbone interact. energy: -1.455 local terms energy: -308.495789 where: bonds (distance) C4'-P energy: -53.196 bonds (distance) P-C4' energy: -60.489 flat angles C4'-P-C4' energy: -63.282 flat angles P-C4'-P energy: -48.938 tors. eta vs tors. theta energy: -82.591 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: 10 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -971.205629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.205629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.205629 (E_RNA) where: Base-Base interactions energy: -650.836 where: short stacking energy: -292.020 Base-Backbone interact. energy: -0.168 local terms energy: -320.202294 where: bonds (distance) C4'-P energy: -62.453 bonds (distance) P-C4' energy: -65.055 flat angles C4'-P-C4' energy: -68.875 flat angles P-C4'-P energy: -43.302 tors. eta vs tors. theta energy: -80.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -796.696344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.696344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.696344 (E_RNA) where: Base-Base interactions energy: -519.681 where: short stacking energy: -248.380 Base-Backbone interact. energy: -0.570 local terms energy: -276.445876 where: bonds (distance) C4'-P energy: -55.223 bonds (distance) P-C4' energy: -68.372 flat angles C4'-P-C4' energy: -62.429 flat angles P-C4'-P energy: -40.910 tors. eta vs tors. theta energy: -49.512 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: 8 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -832.445844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.445844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.445844 (E_RNA) where: Base-Base interactions energy: -542.266 where: short stacking energy: -245.331 Base-Backbone interact. energy: -0.548 local terms energy: -289.631106 where: bonds (distance) C4'-P energy: -57.998 bonds (distance) P-C4' energy: -61.636 flat angles C4'-P-C4' energy: -69.810 flat angles P-C4'-P energy: -44.054 tors. eta vs tors. theta energy: -56.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -806.302816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.302816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.302816 (E_RNA) where: Base-Base interactions energy: -545.416 where: short stacking energy: -251.277 Base-Backbone interact. energy: -1.596 local terms energy: -259.290782 where: bonds (distance) C4'-P energy: -55.559 bonds (distance) P-C4' energy: -45.160 flat angles C4'-P-C4' energy: -62.688 flat angles P-C4'-P energy: -36.943 tors. eta vs tors. theta energy: -58.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -667.905203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.905203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.905203 (E_RNA) where: Base-Base interactions energy: -427.547 where: short stacking energy: -180.813 Base-Backbone interact. energy: -0.194 local terms energy: -240.164621 where: bonds (distance) C4'-P energy: -42.210 bonds (distance) P-C4' energy: -74.221 flat angles C4'-P-C4' energy: -54.467 flat angles P-C4'-P energy: -36.569 tors. eta vs tors. theta energy: -32.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -542.626051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.626051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.626051 (E_RNA) where: Base-Base interactions energy: -335.585 where: short stacking energy: -148.775 Base-Backbone interact. energy: 0.430 local terms energy: -207.471523 where: bonds (distance) C4'-P energy: -52.596 bonds (distance) P-C4' energy: -51.681 flat angles C4'-P-C4' energy: -55.166 flat angles P-C4'-P energy: -26.546 tors. eta vs tors. theta energy: -21.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -601.087975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.087975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.087975 (E_RNA) where: Base-Base interactions energy: -372.750 where: short stacking energy: -174.980 Base-Backbone interact. energy: -1.140 local terms energy: -227.197921 where: bonds (distance) C4'-P energy: -53.469 bonds (distance) P-C4' energy: -59.014 flat angles C4'-P-C4' energy: -46.958 flat angles P-C4'-P energy: -28.542 tors. eta vs tors. theta energy: -39.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1156.232641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.232641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.232641 (E_RNA) where: Base-Base interactions energy: -815.021 where: short stacking energy: -346.681 Base-Backbone interact. energy: -3.475 local terms energy: -337.736785 where: bonds (distance) C4'-P energy: -68.035 bonds (distance) P-C4' energy: -63.490 flat angles C4'-P-C4' energy: -67.629 flat angles P-C4'-P energy: -44.481 tors. eta vs tors. theta energy: -94.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1080.960673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.960673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.960673 (E_RNA) where: Base-Base interactions energy: -746.378 where: short stacking energy: -331.978 Base-Backbone interact. energy: -2.839 local terms energy: -331.743706 where: bonds (distance) C4'-P energy: -59.057 bonds (distance) P-C4' energy: -62.755 flat angles C4'-P-C4' energy: -78.059 flat angles P-C4'-P energy: -43.000 tors. eta vs tors. theta energy: -88.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -991.502472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.502472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.502472 (E_RNA) where: Base-Base interactions energy: -678.900 where: short stacking energy: -305.379 Base-Backbone interact. energy: -0.105 local terms energy: -312.497393 where: bonds (distance) C4'-P energy: -59.722 bonds (distance) P-C4' energy: -52.076 flat angles C4'-P-C4' energy: -74.467 flat angles P-C4'-P energy: -45.108 tors. eta vs tors. theta energy: -81.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -972.242978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.242978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.242978 (E_RNA) where: Base-Base interactions energy: -667.036 where: short stacking energy: -300.647 Base-Backbone interact. energy: -2.035 local terms energy: -303.171635 where: bonds (distance) C4'-P energy: -63.947 bonds (distance) P-C4' energy: -58.259 flat angles C4'-P-C4' energy: -64.704 flat angles P-C4'-P energy: -40.514 tors. eta vs tors. theta energy: -75.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -841.226182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.226182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.226182 (E_RNA) where: Base-Base interactions energy: -561.631 where: short stacking energy: -262.402 Base-Backbone interact. energy: -1.766 local terms energy: -277.828945 where: bonds (distance) C4'-P energy: -47.131 bonds (distance) P-C4' energy: -66.880 flat angles C4'-P-C4' energy: -67.332 flat angles P-C4'-P energy: -39.151 tors. eta vs tors. theta energy: -57.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -801.966461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.966461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.966461 (E_RNA) where: Base-Base interactions energy: -532.874 where: short stacking energy: -244.866 Base-Backbone interact. energy: -0.849 local terms energy: -268.243100 where: bonds (distance) C4'-P energy: -60.601 bonds (distance) P-C4' energy: -61.530 flat angles C4'-P-C4' energy: -58.544 flat angles P-C4'-P energy: -27.121 tors. eta vs tors. theta energy: -60.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -851.591852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.591852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.591852 (E_RNA) where: Base-Base interactions energy: -602.105 where: short stacking energy: -270.202 Base-Backbone interact. energy: -1.305 local terms energy: -248.182162 where: bonds (distance) C4'-P energy: -36.570 bonds (distance) P-C4' energy: -51.146 flat angles C4'-P-C4' energy: -61.429 flat angles P-C4'-P energy: -38.181 tors. eta vs tors. theta energy: -60.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -670.984516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.984516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.984516 (E_RNA) where: Base-Base interactions energy: -423.680 where: short stacking energy: -182.978 Base-Backbone interact. energy: -1.586 local terms energy: -245.718020 where: bonds (distance) C4'-P energy: -47.644 bonds (distance) P-C4' energy: -62.420 flat angles C4'-P-C4' energy: -63.930 flat angles P-C4'-P energy: -46.500 tors. eta vs tors. theta energy: -25.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -640.852195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.852195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.852195 (E_RNA) where: Base-Base interactions energy: -420.704 where: short stacking energy: -173.279 Base-Backbone interact. energy: 0.775 local terms energy: -220.923213 where: bonds (distance) C4'-P energy: -58.041 bonds (distance) P-C4' energy: -55.202 flat angles C4'-P-C4' energy: -51.980 flat angles P-C4'-P energy: -29.937 tors. eta vs tors. theta energy: -25.764 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: 58 Temperature: 1.350000 Total energy: -536.739320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.739320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.739320 (E_RNA) where: Base-Base interactions energy: -336.090 where: short stacking energy: -163.178 Base-Backbone interact. energy: -1.100 local terms energy: -199.549463 where: bonds (distance) C4'-P energy: -40.696 bonds (distance) P-C4' energy: -57.443 flat angles C4'-P-C4' energy: -58.635 flat angles P-C4'-P energy: -23.100 tors. eta vs tors. theta energy: -19.675 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: 1, replica: 6 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1139.994351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.994351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.994351 (E_RNA) where: Base-Base interactions energy: -790.633 where: short stacking energy: -327.670 Base-Backbone interact. energy: -2.965 local terms energy: -346.395365 where: bonds (distance) C4'-P energy: -65.818 bonds (distance) P-C4' energy: -62.228 flat angles C4'-P-C4' energy: -79.448 flat angles P-C4'-P energy: -46.793 tors. eta vs tors. theta energy: -92.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1069.328863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.328863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.328863 (E_RNA) where: Base-Base interactions energy: -708.676 where: short stacking energy: -336.079 Base-Backbone interact. energy: -1.274 local terms energy: -359.379174 where: bonds (distance) C4'-P energy: -61.608 bonds (distance) P-C4' energy: -66.942 flat angles C4'-P-C4' energy: -75.674 flat angles P-C4'-P energy: -56.416 tors. eta vs tors. theta energy: -98.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -977.064804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.064804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.064804 (E_RNA) where: Base-Base interactions energy: -666.236 where: short stacking energy: -301.056 Base-Backbone interact. energy: 0.752 local terms energy: -311.581187 where: bonds (distance) C4'-P energy: -58.047 bonds (distance) P-C4' energy: -64.637 flat angles C4'-P-C4' energy: -65.354 flat angles P-C4'-P energy: -50.331 tors. eta vs tors. theta energy: -73.213 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: 4, replica: 10 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -986.442009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.442009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.442009 (E_RNA) where: Base-Base interactions energy: -682.907 where: short stacking energy: -303.489 Base-Backbone interact. energy: 3.527 local terms energy: -307.061460 where: bonds (distance) C4'-P energy: -62.900 bonds (distance) P-C4' energy: -69.151 flat angles C4'-P-C4' energy: -59.757 flat angles P-C4'-P energy: -36.910 tors. eta vs tors. theta energy: -78.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -826.474308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.474308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.474308 (E_RNA) where: Base-Base interactions energy: -551.100 where: short stacking energy: -237.114 Base-Backbone interact. energy: -1.468 local terms energy: -273.906680 where: bonds (distance) C4'-P energy: -66.864 bonds (distance) P-C4' energy: -57.815 flat angles C4'-P-C4' energy: -61.239 flat angles P-C4'-P energy: -33.744 tors. eta vs tors. theta energy: -54.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -790.193522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.193522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.193522 (E_RNA) where: Base-Base interactions energy: -519.220 where: short stacking energy: -216.786 Base-Backbone interact. energy: -3.324 local terms energy: -267.649638 where: bonds (distance) C4'-P energy: -59.426 bonds (distance) P-C4' energy: -51.540 flat angles C4'-P-C4' energy: -61.191 flat angles P-C4'-P energy: -42.677 tors. eta vs tors. theta energy: -52.816 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: 1 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -847.577885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.577885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.577885 (E_RNA) where: Base-Base interactions energy: -600.503 where: short stacking energy: -253.615 Base-Backbone interact. energy: -2.229 local terms energy: -244.845400 where: bonds (distance) C4'-P energy: -53.402 bonds (distance) P-C4' energy: -51.541 flat angles C4'-P-C4' energy: -50.306 flat angles P-C4'-P energy: -33.039 tors. eta vs tors. theta energy: -56.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -722.790304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.790304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.790304 (E_RNA) where: Base-Base interactions energy: -480.398 where: short stacking energy: -197.140 Base-Backbone interact. energy: -0.415 local terms energy: -241.977319 where: bonds (distance) C4'-P energy: -50.381 bonds (distance) P-C4' energy: -51.250 flat angles C4'-P-C4' energy: -50.629 flat angles P-C4'-P energy: -40.752 tors. eta vs tors. theta energy: -48.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -593.930098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.930098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.930098 (E_RNA) where: Base-Base interactions energy: -370.394 where: short stacking energy: -174.107 Base-Backbone interact. energy: 1.937 local terms energy: -225.473604 where: bonds (distance) C4'-P energy: -52.910 bonds (distance) P-C4' energy: -66.433 flat angles C4'-P-C4' energy: -47.962 flat angles P-C4'-P energy: -36.658 tors. eta vs tors. theta energy: -21.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -507.258673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.258673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.258673 (E_RNA) where: Base-Base interactions energy: -309.038 where: short stacking energy: -137.362 Base-Backbone interact. energy: 2.174 local terms energy: -200.394388 where: bonds (distance) C4'-P energy: -57.623 bonds (distance) P-C4' energy: -64.404 flat angles C4'-P-C4' energy: -37.510 flat angles P-C4'-P energy: -22.981 tors. eta vs tors. theta energy: -17.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1136.351532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.351532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.351532 (E_RNA) where: Base-Base interactions energy: -794.198 where: short stacking energy: -324.044 Base-Backbone interact. energy: -2.572 local terms energy: -339.580703 where: bonds (distance) C4'-P energy: -62.605 bonds (distance) P-C4' energy: -59.759 flat angles C4'-P-C4' energy: -72.301 flat angles P-C4'-P energy: -53.501 tors. eta vs tors. theta energy: -91.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1069.539844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.539844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.539844 (E_RNA) where: Base-Base interactions energy: -729.543 where: short stacking energy: -324.337 Base-Backbone interact. energy: -2.138 local terms energy: -337.858711 where: bonds (distance) C4'-P energy: -63.977 bonds (distance) P-C4' energy: -65.529 flat angles C4'-P-C4' energy: -68.215 flat angles P-C4'-P energy: -54.003 tors. eta vs tors. theta energy: -86.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1026.616526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.616526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.616526 (E_RNA) where: Base-Base interactions energy: -702.006 where: short stacking energy: -304.560 Base-Backbone interact. energy: -0.325 local terms energy: -324.284991 where: bonds (distance) C4'-P energy: -58.085 bonds (distance) P-C4' energy: -62.067 flat angles C4'-P-C4' energy: -68.997 flat angles P-C4'-P energy: -52.238 tors. eta vs tors. theta energy: -82.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -984.356588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.356588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.356588 (E_RNA) where: Base-Base interactions energy: -670.143 where: short stacking energy: -301.483 Base-Backbone interact. energy: 0.317 local terms energy: -314.530421 where: bonds (distance) C4'-P energy: -65.196 bonds (distance) P-C4' energy: -56.352 flat angles C4'-P-C4' energy: -72.671 flat angles P-C4'-P energy: -42.378 tors. eta vs tors. theta energy: -77.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -841.464341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.464341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.464341 (E_RNA) where: Base-Base interactions energy: -564.588 where: short stacking energy: -243.123 Base-Backbone interact. energy: 0.563 local terms energy: -277.439504 where: bonds (distance) C4'-P energy: -64.170 bonds (distance) P-C4' energy: -61.385 flat angles C4'-P-C4' energy: -56.482 flat angles P-C4'-P energy: -45.984 tors. eta vs tors. theta energy: -49.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -819.299039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.299039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.299039 (E_RNA) where: Base-Base interactions energy: -560.348 where: short stacking energy: -266.482 Base-Backbone interact. energy: -2.290 local terms energy: -256.661385 where: bonds (distance) C4'-P energy: -59.384 bonds (distance) P-C4' energy: -53.810 flat angles C4'-P-C4' energy: -60.251 flat angles P-C4'-P energy: -27.391 tors. eta vs tors. theta energy: -55.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -847.152043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.152043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.152043 (E_RNA) where: Base-Base interactions energy: -578.929 where: short stacking energy: -231.550 Base-Backbone interact. energy: 0.197 local terms energy: -268.420545 where: bonds (distance) C4'-P energy: -54.266 bonds (distance) P-C4' energy: -58.547 flat angles C4'-P-C4' energy: -67.934 flat angles P-C4'-P energy: -35.529 tors. eta vs tors. theta energy: -52.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -657.726428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.726428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.726428 (E_RNA) where: Base-Base interactions energy: -435.593 where: short stacking energy: -207.881 Base-Backbone interact. energy: -0.979 local terms energy: -221.154045 where: bonds (distance) C4'-P energy: -45.791 bonds (distance) P-C4' energy: -51.488 flat angles C4'-P-C4' energy: -57.301 flat angles P-C4'-P energy: -26.864 tors. eta vs tors. theta energy: -39.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -579.628059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.628059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.628059 (E_RNA) where: Base-Base interactions energy: -374.880 where: short stacking energy: -162.849 Base-Backbone interact. energy: -0.844 local terms energy: -203.904079 where: bonds (distance) C4'-P energy: -50.014 bonds (distance) P-C4' energy: -58.993 flat angles C4'-P-C4' energy: -55.473 flat angles P-C4'-P energy: -16.854 tors. eta vs tors. theta energy: -22.570 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: 2 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -519.893133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.893133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.893133 (E_RNA) where: Base-Base interactions energy: -317.377 where: short stacking energy: -149.320 Base-Backbone interact. energy: -1.560 local terms energy: -200.956261 where: bonds (distance) C4'-P energy: -54.637 bonds (distance) P-C4' energy: -50.952 flat angles C4'-P-C4' energy: -43.660 flat angles P-C4'-P energy: -34.244 tors. eta vs tors. theta energy: -17.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1145.336869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.336869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.336869 (E_RNA) where: Base-Base interactions energy: -789.212 where: short stacking energy: -334.674 Base-Backbone interact. energy: -6.263 local terms energy: -349.862629 where: bonds (distance) C4'-P energy: -65.220 bonds (distance) P-C4' energy: -64.464 flat angles C4'-P-C4' energy: -72.699 flat angles P-C4'-P energy: -48.956 tors. eta vs tors. theta energy: -98.525 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: 61 Temperature: 0.950000 Total energy: -1033.512222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.512222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.512222 (E_RNA) where: Base-Base interactions energy: -712.007 where: short stacking energy: -305.646 Base-Backbone interact. energy: -1.726 local terms energy: -319.779052 where: bonds (distance) C4'-P energy: -61.734 bonds (distance) P-C4' energy: -65.820 flat angles C4'-P-C4' energy: -76.217 flat angles P-C4'-P energy: -44.853 tors. eta vs tors. theta energy: -71.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1078.617919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.617919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.617919 (E_RNA) where: Base-Base interactions energy: -743.626 where: short stacking energy: -312.494 Base-Backbone interact. energy: -2.171 local terms energy: -332.821645 where: bonds (distance) C4'-P energy: -53.694 bonds (distance) P-C4' energy: -69.738 flat angles C4'-P-C4' energy: -71.795 flat angles P-C4'-P energy: -50.759 tors. eta vs tors. theta energy: -86.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -987.946309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.946309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.946309 (E_RNA) where: Base-Base interactions energy: -684.085 where: short stacking energy: -305.085 Base-Backbone interact. energy: 1.792 local terms energy: -305.653343 where: bonds (distance) C4'-P energy: -56.284 bonds (distance) P-C4' energy: -55.647 flat angles C4'-P-C4' energy: -65.870 flat angles P-C4'-P energy: -49.781 tors. eta vs tors. theta energy: -78.071 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: 8 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -858.149830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.149830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.149830 (E_RNA) where: Base-Base interactions energy: -562.147 where: short stacking energy: -256.567 Base-Backbone interact. energy: -1.719 local terms energy: -294.283443 where: bonds (distance) C4'-P energy: -58.030 bonds (distance) P-C4' energy: -58.695 flat angles C4'-P-C4' energy: -69.771 flat angles P-C4'-P energy: -48.895 tors. eta vs tors. theta energy: -58.892 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: 1 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -883.348170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.348170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.348170 (E_RNA) where: Base-Base interactions energy: -610.824 where: short stacking energy: -253.975 Base-Backbone interact. energy: -0.677 local terms energy: -271.846962 where: bonds (distance) C4'-P energy: -50.732 bonds (distance) P-C4' energy: -62.488 flat angles C4'-P-C4' energy: -63.385 flat angles P-C4'-P energy: -33.928 tors. eta vs tors. theta energy: -61.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -799.977618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.977618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.977618 (E_RNA) where: Base-Base interactions energy: -550.896 where: short stacking energy: -253.638 Base-Backbone interact. energy: 1.136 local terms energy: -250.217180 where: bonds (distance) C4'-P energy: -56.445 bonds (distance) P-C4' energy: -44.334 flat angles C4'-P-C4' energy: -59.919 flat angles P-C4'-P energy: -32.447 tors. eta vs tors. theta energy: -57.071 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: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -604.331970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.331970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.331970 (E_RNA) where: Base-Base interactions energy: -378.557 where: short stacking energy: -174.841 Base-Backbone interact. energy: -0.693 local terms energy: -225.082060 where: bonds (distance) C4'-P energy: -54.149 bonds (distance) P-C4' energy: -59.980 flat angles C4'-P-C4' energy: -46.992 flat angles P-C4'-P energy: -36.522 tors. eta vs tors. theta energy: -27.440 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: 4 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -609.857458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.857458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.857458 (E_RNA) where: Base-Base interactions energy: -396.946 where: short stacking energy: -179.359 Base-Backbone interact. energy: 0.029 local terms energy: -212.940864 where: bonds (distance) C4'-P energy: -55.345 bonds (distance) P-C4' energy: -53.784 flat angles C4'-P-C4' energy: -54.997 flat angles P-C4'-P energy: -11.708 tors. eta vs tors. theta energy: -37.106 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: 2 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -535.194077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.194077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.194077 (E_RNA) where: Base-Base interactions energy: -324.544 where: short stacking energy: -152.973 Base-Backbone interact. energy: 0.173 local terms energy: -210.823166 where: bonds (distance) C4'-P energy: -48.563 bonds (distance) P-C4' energy: -57.032 flat angles C4'-P-C4' energy: -57.209 flat angles P-C4'-P energy: -22.132 tors. eta vs tors. theta energy: -25.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1132.488156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.488156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.488156 (E_RNA) where: Base-Base interactions energy: -792.181 where: short stacking energy: -336.687 Base-Backbone interact. energy: -1.153 local terms energy: -339.154428 where: bonds (distance) C4'-P energy: -59.935 bonds (distance) P-C4' energy: -67.627 flat angles C4'-P-C4' energy: -64.906 flat angles P-C4'-P energy: -47.356 tors. eta vs tors. theta energy: -99.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1034.125378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.125378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.125378 (E_RNA) where: Base-Base interactions energy: -701.789 where: short stacking energy: -309.066 Base-Backbone interact. energy: 1.779 local terms energy: -334.115620 where: bonds (distance) C4'-P energy: -66.806 bonds (distance) P-C4' energy: -58.123 flat angles C4'-P-C4' energy: -78.175 flat angles P-C4'-P energy: -51.336 tors. eta vs tors. theta energy: -79.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1080.658788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.658788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.658788 (E_RNA) where: Base-Base interactions energy: -737.014 where: short stacking energy: -329.865 Base-Backbone interact. energy: -3.230 local terms energy: -340.415287 where: bonds (distance) C4'-P energy: -61.908 bonds (distance) P-C4' energy: -71.630 flat angles C4'-P-C4' energy: -68.147 flat angles P-C4'-P energy: -46.192 tors. eta vs tors. theta energy: -92.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1000.458993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.458993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.458993 (E_RNA) where: Base-Base interactions energy: -682.759 where: short stacking energy: -313.677 Base-Backbone interact. energy: -1.346 local terms energy: -316.354441 where: bonds (distance) C4'-P energy: -64.545 bonds (distance) P-C4' energy: -61.442 flat angles C4'-P-C4' energy: -71.920 flat angles P-C4'-P energy: -38.434 tors. eta vs tors. theta energy: -80.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -951.421034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.421034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.421034 (E_RNA) where: Base-Base interactions energy: -663.710 where: short stacking energy: -283.987 Base-Backbone interact. energy: -2.507 local terms energy: -285.204605 where: bonds (distance) C4'-P energy: -60.314 bonds (distance) P-C4' energy: -58.411 flat angles C4'-P-C4' energy: -56.392 flat angles P-C4'-P energy: -40.229 tors. eta vs tors. theta energy: -69.859 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: 8 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -833.542775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.542775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.542775 (E_RNA) where: Base-Base interactions energy: -561.833 where: short stacking energy: -251.164 Base-Backbone interact. energy: -0.873 local terms energy: -270.836369 where: bonds (distance) C4'-P energy: -53.955 bonds (distance) P-C4' energy: -54.719 flat angles C4'-P-C4' energy: -67.761 flat angles P-C4'-P energy: -39.108 tors. eta vs tors. theta energy: -55.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -736.851509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.851509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.851509 (E_RNA) where: Base-Base interactions energy: -462.331 where: short stacking energy: -221.313 Base-Backbone interact. energy: -0.381 local terms energy: -274.139904 where: bonds (distance) C4'-P energy: -64.060 bonds (distance) P-C4' energy: -59.998 flat angles C4'-P-C4' energy: -53.196 flat angles P-C4'-P energy: -35.839 tors. eta vs tors. theta energy: -61.046 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: 9 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -622.276090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.276090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.276090 (E_RNA) where: Base-Base interactions energy: -372.263 where: short stacking energy: -172.611 Base-Backbone interact. energy: -0.158 local terms energy: -249.854604 where: bonds (distance) C4'-P energy: -60.503 bonds (distance) P-C4' energy: -61.511 flat angles C4'-P-C4' energy: -56.144 flat angles P-C4'-P energy: -39.370 tors. eta vs tors. theta energy: -32.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -654.006327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.006327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.006327 (E_RNA) where: Base-Base interactions energy: -426.659 where: short stacking energy: -183.153 Base-Backbone interact. energy: 0.008 local terms energy: -227.354650 where: bonds (distance) C4'-P energy: -54.301 bonds (distance) P-C4' energy: -59.882 flat angles C4'-P-C4' energy: -44.352 flat angles P-C4'-P energy: -31.862 tors. eta vs tors. theta energy: -36.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -549.535830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.535830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.535830 (E_RNA) where: Base-Base interactions energy: -339.057 where: short stacking energy: -164.362 Base-Backbone interact. energy: -0.881 local terms energy: -209.597743 where: bonds (distance) C4'-P energy: -45.323 bonds (distance) P-C4' energy: -52.123 flat angles C4'-P-C4' energy: -53.492 flat angles P-C4'-P energy: -32.169 tors. eta vs tors. theta energy: -26.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1138.011550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.011550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.011550 (E_RNA) where: Base-Base interactions energy: -788.801 where: short stacking energy: -330.785 Base-Backbone interact. energy: -3.152 local terms energy: -346.058923 where: bonds (distance) C4'-P energy: -64.608 bonds (distance) P-C4' energy: -62.168 flat angles C4'-P-C4' energy: -71.194 flat angles P-C4'-P energy: -55.080 tors. eta vs tors. theta energy: -93.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1079.415202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.415202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.415202 (E_RNA) where: Base-Base interactions energy: -749.692 where: short stacking energy: -329.181 Base-Backbone interact. energy: 0.272 local terms energy: -329.995370 where: bonds (distance) C4'-P energy: -67.022 bonds (distance) P-C4' energy: -71.415 flat angles C4'-P-C4' energy: -64.774 flat angles P-C4'-P energy: -37.528 tors. eta vs tors. theta energy: -89.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1022.124774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.124774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.124774 (E_RNA) where: Base-Base interactions energy: -700.820 where: short stacking energy: -313.942 Base-Backbone interact. energy: 0.317 local terms energy: -321.621650 where: bonds (distance) C4'-P energy: -58.532 bonds (distance) P-C4' energy: -66.533 flat angles C4'-P-C4' energy: -67.187 flat angles P-C4'-P energy: -45.986 tors. eta vs tors. theta energy: -83.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -998.537424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.537424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.537424 (E_RNA) where: Base-Base interactions energy: -687.924 where: short stacking energy: -305.516 Base-Backbone interact. energy: -0.232 local terms energy: -310.382009 where: bonds (distance) C4'-P energy: -62.354 bonds (distance) P-C4' energy: -63.470 flat angles C4'-P-C4' energy: -67.187 flat angles P-C4'-P energy: -37.493 tors. eta vs tors. theta energy: -79.877 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: 10 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -945.421664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.421664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.421664 (E_RNA) where: Base-Base interactions energy: -663.767 where: short stacking energy: -297.615 Base-Backbone interact. energy: 1.192 local terms energy: -282.845981 where: bonds (distance) C4'-P energy: -49.007 bonds (distance) P-C4' energy: -54.492 flat angles C4'-P-C4' energy: -54.879 flat angles P-C4'-P energy: -48.546 tors. eta vs tors. theta energy: -75.923 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: 8 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -856.198038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.198038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.198038 (E_RNA) where: Base-Base interactions energy: -609.778 where: short stacking energy: -254.017 Base-Backbone interact. energy: -1.422 local terms energy: -244.998282 where: bonds (distance) C4'-P energy: -56.411 bonds (distance) P-C4' energy: -57.310 flat angles C4'-P-C4' energy: -54.655 flat angles P-C4'-P energy: -22.507 tors. eta vs tors. theta energy: -54.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -703.064645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.064645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.064645 (E_RNA) where: Base-Base interactions energy: -455.858 where: short stacking energy: -221.364 Base-Backbone interact. energy: -0.690 local terms energy: -246.517097 where: bonds (distance) C4'-P energy: -51.256 bonds (distance) P-C4' energy: -60.787 flat angles C4'-P-C4' energy: -53.076 flat angles P-C4'-P energy: -39.176 tors. eta vs tors. theta energy: -42.223 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: 4 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -679.017443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.017443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.017443 (E_RNA) where: Base-Base interactions energy: -447.274 where: short stacking energy: -189.176 Base-Backbone interact. energy: 0.331 local terms energy: -232.074778 where: bonds (distance) C4'-P energy: -43.912 bonds (distance) P-C4' energy: -54.923 flat angles C4'-P-C4' energy: -60.378 flat angles P-C4'-P energy: -37.934 tors. eta vs tors. theta energy: -34.928 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: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -539.370107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.370107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.370107 (E_RNA) where: Base-Base interactions energy: -323.388 where: short stacking energy: -164.089 Base-Backbone interact. energy: -0.286 local terms energy: -215.696024 where: bonds (distance) C4'-P energy: -41.048 bonds (distance) P-C4' energy: -54.041 flat angles C4'-P-C4' energy: -49.727 flat angles P-C4'-P energy: -34.649 tors. eta vs tors. theta energy: -36.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -509.948923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.948923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.948923 (E_RNA) where: Base-Base interactions energy: -321.499 where: short stacking energy: -152.650 Base-Backbone interact. energy: 0.350 local terms energy: -188.799765 where: bonds (distance) C4'-P energy: -52.017 bonds (distance) P-C4' energy: -51.334 flat angles C4'-P-C4' energy: -49.092 flat angles P-C4'-P energy: -25.256 tors. eta vs tors. theta energy: -11.102 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: 1, replica: 6 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1134.420678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.420678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.420678 (E_RNA) where: Base-Base interactions energy: -793.497 where: short stacking energy: -318.476 Base-Backbone interact. energy: -3.022 local terms energy: -337.900912 where: bonds (distance) C4'-P energy: -71.378 bonds (distance) P-C4' energy: -61.130 flat angles C4'-P-C4' energy: -66.829 flat angles P-C4'-P energy: -53.143 tors. eta vs tors. theta energy: -85.421 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: 7 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1079.563678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.563678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.563678 (E_RNA) where: Base-Base interactions energy: -758.079 where: short stacking energy: -306.000 Base-Backbone interact. energy: 2.245 local terms energy: -323.730305 where: bonds (distance) C4'-P energy: -58.103 bonds (distance) P-C4' energy: -64.055 flat angles C4'-P-C4' energy: -63.326 flat angles P-C4'-P energy: -45.919 tors. eta vs tors. theta energy: -92.327 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: 1 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1083.251912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.251912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.251912 (E_RNA) where: Base-Base interactions energy: -747.296 where: short stacking energy: -326.168 Base-Backbone interact. energy: -3.651 local terms energy: -332.305187 where: bonds (distance) C4'-P energy: -60.048 bonds (distance) P-C4' energy: -63.589 flat angles C4'-P-C4' energy: -70.563 flat angles P-C4'-P energy: -47.757 tors. eta vs tors. theta energy: -90.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -986.437834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.437834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.437834 (E_RNA) where: Base-Base interactions energy: -681.484 where: short stacking energy: -287.348 Base-Backbone interact. energy: -1.481 local terms energy: -303.472369 where: bonds (distance) C4'-P energy: -55.043 bonds (distance) P-C4' energy: -69.947 flat angles C4'-P-C4' energy: -63.381 flat angles P-C4'-P energy: -46.186 tors. eta vs tors. theta energy: -68.916 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: 10 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -944.176022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.176022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.176022 (E_RNA) where: Base-Base interactions energy: -647.598 where: short stacking energy: -283.126 Base-Backbone interact. energy: -0.726 local terms energy: -295.852012 where: bonds (distance) C4'-P energy: -54.344 bonds (distance) P-C4' energy: -64.548 flat angles C4'-P-C4' energy: -62.366 flat angles P-C4'-P energy: -40.097 tors. eta vs tors. theta energy: -74.497 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: 8 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -815.477064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.477064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.477064 (E_RNA) where: Base-Base interactions energy: -549.400 where: short stacking energy: -250.348 Base-Backbone interact. energy: -0.832 local terms energy: -265.245342 where: bonds (distance) C4'-P energy: -46.033 bonds (distance) P-C4' energy: -55.278 flat angles C4'-P-C4' energy: -62.561 flat angles P-C4'-P energy: -39.129 tors. eta vs tors. theta energy: -62.244 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: 7, replica: 3 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -744.019899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.019899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.019899 (E_RNA) where: Base-Base interactions energy: -472.702 where: short stacking energy: -244.417 Base-Backbone interact. energy: 1.416 local terms energy: -272.733853 where: bonds (distance) C4'-P energy: -45.133 bonds (distance) P-C4' energy: -60.330 flat angles C4'-P-C4' energy: -64.293 flat angles P-C4'-P energy: -35.616 tors. eta vs tors. theta energy: -67.361 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: 4 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -685.113405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.113405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.113405 (E_RNA) where: Base-Base interactions energy: -461.581 where: short stacking energy: -218.209 Base-Backbone interact. energy: -0.812 local terms energy: -222.720536 where: bonds (distance) C4'-P energy: -47.563 bonds (distance) P-C4' energy: -40.880 flat angles C4'-P-C4' energy: -65.445 flat angles P-C4'-P energy: -26.626 tors. eta vs tors. theta energy: -42.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -548.225949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.225949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.225949 (E_RNA) where: Base-Base interactions energy: -332.623 where: short stacking energy: -165.324 Base-Backbone interact. energy: -1.520 local terms energy: -214.082567 where: bonds (distance) C4'-P energy: -36.561 bonds (distance) P-C4' energy: -59.543 flat angles C4'-P-C4' energy: -46.708 flat angles P-C4'-P energy: -36.825 tors. eta vs tors. theta energy: -34.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -535.692952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.692952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.692952 (E_RNA) where: Base-Base interactions energy: -329.070 where: short stacking energy: -151.700 Base-Backbone interact. energy: -0.440 local terms energy: -206.183522 where: bonds (distance) C4'-P energy: -45.748 bonds (distance) P-C4' energy: -49.627 flat angles C4'-P-C4' energy: -43.032 flat angles P-C4'-P energy: -26.431 tors. eta vs tors. theta energy: -41.346 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: 6 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1134.405695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.405695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.405695 (E_RNA) where: Base-Base interactions energy: -789.549 where: short stacking energy: -329.328 Base-Backbone interact. energy: -2.082 local terms energy: -342.774736 where: bonds (distance) C4'-P energy: -59.412 bonds (distance) P-C4' energy: -69.542 flat angles C4'-P-C4' energy: -70.757 flat angles P-C4'-P energy: -53.210 tors. eta vs tors. theta energy: -89.854 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: 2, replica: 1 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1079.230737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.230737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.230737 (E_RNA) where: Base-Base interactions energy: -753.320 where: short stacking energy: -320.665 Base-Backbone interact. energy: -0.656 local terms energy: -325.254685 where: bonds (distance) C4'-P energy: -57.665 bonds (distance) P-C4' energy: -67.188 flat angles C4'-P-C4' energy: -79.035 flat angles P-C4'-P energy: -38.216 tors. eta vs tors. theta energy: -83.151 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: 3, replica: 7 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1074.305070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.305070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.305070 (E_RNA) where: Base-Base interactions energy: -748.957 where: short stacking energy: -308.090 Base-Backbone interact. energy: -0.486 local terms energy: -324.861662 where: bonds (distance) C4'-P energy: -54.579 bonds (distance) P-C4' energy: -73.477 flat angles C4'-P-C4' energy: -73.640 flat angles P-C4'-P energy: -45.881 tors. eta vs tors. theta energy: -77.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -976.685337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.685337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.685337 (E_RNA) where: Base-Base interactions energy: -668.922 where: short stacking energy: -290.537 Base-Backbone interact. energy: -1.068 local terms energy: -306.696045 where: bonds (distance) C4'-P energy: -53.623 bonds (distance) P-C4' energy: -65.809 flat angles C4'-P-C4' energy: -65.303 flat angles P-C4'-P energy: -46.919 tors. eta vs tors. theta energy: -75.043 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: 5 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -944.017151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.017151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.017151 (E_RNA) where: Base-Base interactions energy: -657.874 where: short stacking energy: -278.187 Base-Backbone interact. energy: 4.900 local terms energy: -291.044033 where: bonds (distance) C4'-P energy: -55.350 bonds (distance) P-C4' energy: -61.667 flat angles C4'-P-C4' energy: -67.536 flat angles P-C4'-P energy: -34.858 tors. eta vs tors. theta energy: -71.633 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: 6, replica: 8 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -837.777986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.777986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.777986 (E_RNA) where: Base-Base interactions energy: -562.649 where: short stacking energy: -262.940 Base-Backbone interact. energy: -1.326 local terms energy: -273.803078 where: bonds (distance) C4'-P energy: -54.363 bonds (distance) P-C4' energy: -63.678 flat angles C4'-P-C4' energy: -57.945 flat angles P-C4'-P energy: -37.441 tors. eta vs tors. theta energy: -60.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -755.436941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.436941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.436941 (E_RNA) where: Base-Base interactions energy: -491.723 where: short stacking energy: -239.327 Base-Backbone interact. energy: 0.496 local terms energy: -264.209446 where: bonds (distance) C4'-P energy: -59.909 bonds (distance) P-C4' energy: -48.783 flat angles C4'-P-C4' energy: -63.072 flat angles P-C4'-P energy: -34.231 tors. eta vs tors. theta energy: -58.215 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: 65 Temperature: 1.250000 Total energy: -536.565060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.565060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.565060 (E_RNA) where: Base-Base interactions energy: -327.018 where: short stacking energy: -169.193 Base-Backbone interact. energy: -1.673 local terms energy: -207.873828 where: bonds (distance) C4'-P energy: -51.433 bonds (distance) P-C4' energy: -56.858 flat angles C4'-P-C4' energy: -52.637 flat angles P-C4'-P energy: -24.869 tors. eta vs tors. theta energy: -22.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -639.120644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.120644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.120644 (E_RNA) where: Base-Base interactions energy: -409.641 where: short stacking energy: -190.303 Base-Backbone interact. energy: -1.778 local terms energy: -227.700813 where: bonds (distance) C4'-P energy: -51.734 bonds (distance) P-C4' energy: -53.457 flat angles C4'-P-C4' energy: -50.845 flat angles P-C4'-P energy: -28.599 tors. eta vs tors. theta energy: -43.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -525.036702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.036702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.036702 (E_RNA) where: Base-Base interactions energy: -331.637 where: short stacking energy: -162.591 Base-Backbone interact. energy: -2.171 local terms energy: -191.229395 where: bonds (distance) C4'-P energy: -51.218 bonds (distance) P-C4' energy: -48.918 flat angles C4'-P-C4' energy: -39.369 flat angles P-C4'-P energy: -29.240 tors. eta vs tors. theta energy: -22.485 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: 6 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1145.641370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.641370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.641370 (E_RNA) where: Base-Base interactions energy: -796.047 where: short stacking energy: -344.411 Base-Backbone interact. energy: -3.299 local terms energy: -346.295641 where: bonds (distance) C4'-P energy: -64.815 bonds (distance) P-C4' energy: -71.181 flat angles C4'-P-C4' energy: -62.760 flat angles P-C4'-P energy: -52.274 tors. eta vs tors. theta energy: -95.266 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: 1 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1075.846569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.846569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.846569 (E_RNA) where: Base-Base interactions energy: -745.235 where: short stacking energy: -313.611 Base-Backbone interact. energy: 1.021 local terms energy: -331.632766 where: bonds (distance) C4'-P energy: -59.948 bonds (distance) P-C4' energy: -62.405 flat angles C4'-P-C4' energy: -69.803 flat angles P-C4'-P energy: -54.423 tors. eta vs tors. theta energy: -85.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1054.707541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.707541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.707541 (E_RNA) where: Base-Base interactions energy: -722.776 where: short stacking energy: -322.819 Base-Backbone interact. energy: 0.434 local terms energy: -332.365316 where: bonds (distance) C4'-P energy: -61.432 bonds (distance) P-C4' energy: -56.402 flat angles C4'-P-C4' energy: -70.161 flat angles P-C4'-P energy: -52.696 tors. eta vs tors. theta energy: -91.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -975.497587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.497587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.497587 (E_RNA) where: Base-Base interactions energy: -669.271 where: short stacking energy: -284.351 Base-Backbone interact. energy: -1.327 local terms energy: -304.899840 where: bonds (distance) C4'-P energy: -49.528 bonds (distance) P-C4' energy: -62.616 flat angles C4'-P-C4' energy: -69.306 flat angles P-C4'-P energy: -43.323 tors. eta vs tors. theta energy: -80.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -957.724238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.724238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.724238 (E_RNA) where: Base-Base interactions energy: -657.739 where: short stacking energy: -301.029 Base-Backbone interact. energy: -1.268 local terms energy: -298.717839 where: bonds (distance) C4'-P energy: -49.501 bonds (distance) P-C4' energy: -61.786 flat angles C4'-P-C4' energy: -67.823 flat angles P-C4'-P energy: -45.005 tors. eta vs tors. theta energy: -74.604 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: 8 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -822.379902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.379902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.379902 (E_RNA) where: Base-Base interactions energy: -552.082 where: short stacking energy: -242.933 Base-Backbone interact. energy: -1.940 local terms energy: -268.358225 where: bonds (distance) C4'-P energy: -50.937 bonds (distance) P-C4' energy: -56.650 flat angles C4'-P-C4' energy: -64.733 flat angles P-C4'-P energy: -39.452 tors. eta vs tors. theta energy: -56.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -780.022653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.022653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.022653 (E_RNA) where: Base-Base interactions energy: -506.738 where: short stacking energy: -226.071 Base-Backbone interact. energy: -0.488 local terms energy: -272.796602 where: bonds (distance) C4'-P energy: -57.039 bonds (distance) P-C4' energy: -52.069 flat angles C4'-P-C4' energy: -50.541 flat angles P-C4'-P energy: -53.967 tors. eta vs tors. theta energy: -59.180 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: 2 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -573.124126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.124126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.124126 (E_RNA) where: Base-Base interactions energy: -354.568 where: short stacking energy: -170.362 Base-Backbone interact. energy: -0.248 local terms energy: -218.308166 where: bonds (distance) C4'-P energy: -58.664 bonds (distance) P-C4' energy: -58.080 flat angles C4'-P-C4' energy: -56.959 flat angles P-C4'-P energy: -28.991 tors. eta vs tors. theta energy: -15.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -515.734217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.734217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.734217 (E_RNA) where: Base-Base interactions energy: -319.154 where: short stacking energy: -138.392 Base-Backbone interact. energy: -0.660 local terms energy: -195.920357 where: bonds (distance) C4'-P energy: -53.241 bonds (distance) P-C4' energy: -58.616 flat angles C4'-P-C4' energy: -49.629 flat angles P-C4'-P energy: -11.652 tors. eta vs tors. theta energy: -22.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -521.086526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.086526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.086526 (E_RNA) where: Base-Base interactions energy: -320.016 where: short stacking energy: -150.815 Base-Backbone interact. energy: 2.278 local terms energy: -203.348336 where: bonds (distance) C4'-P energy: -44.908 bonds (distance) P-C4' energy: -58.101 flat angles C4'-P-C4' energy: -46.773 flat angles P-C4'-P energy: -31.217 tors. eta vs tors. theta energy: -22.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1167.571973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.571973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.571973 (E_RNA) where: Base-Base interactions energy: -799.491 where: short stacking energy: -342.205 Base-Backbone interact. energy: -3.356 local terms energy: -364.725858 where: bonds (distance) C4'-P energy: -67.579 bonds (distance) P-C4' energy: -76.814 flat angles C4'-P-C4' energy: -70.851 flat angles P-C4'-P energy: -49.784 tors. eta vs tors. theta energy: -99.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1099.195656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.195656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.195656 (E_RNA) where: Base-Base interactions energy: -758.131 where: short stacking energy: -334.500 Base-Backbone interact. energy: -0.635 local terms energy: -340.429941 where: bonds (distance) C4'-P energy: -59.524 bonds (distance) P-C4' energy: -73.111 flat angles C4'-P-C4' energy: -71.073 flat angles P-C4'-P energy: -48.157 tors. eta vs tors. theta energy: -88.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1045.557496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.557496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.557496 (E_RNA) where: Base-Base interactions energy: -734.760 where: short stacking energy: -313.385 Base-Backbone interact. energy: -3.043 local terms energy: -307.754182 where: bonds (distance) C4'-P energy: -70.136 bonds (distance) P-C4' energy: -54.936 flat angles C4'-P-C4' energy: -66.257 flat angles P-C4'-P energy: -36.817 tors. eta vs tors. theta energy: -79.608 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: 5 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -977.450318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.450318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.450318 (E_RNA) where: Base-Base interactions energy: -675.608 where: short stacking energy: -306.691 Base-Backbone interact. energy: -0.070 local terms energy: -301.772009 where: bonds (distance) C4'-P energy: -55.402 bonds (distance) P-C4' energy: -63.928 flat angles C4'-P-C4' energy: -69.832 flat angles P-C4'-P energy: -40.975 tors. eta vs tors. theta energy: -71.634 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: 10 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -953.920179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.920179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.920179 (E_RNA) where: Base-Base interactions energy: -649.629 where: short stacking energy: -284.865 Base-Backbone interact. energy: -0.104 local terms energy: -304.186900 where: bonds (distance) C4'-P energy: -55.046 bonds (distance) P-C4' energy: -67.362 flat angles C4'-P-C4' energy: -68.754 flat angles P-C4'-P energy: -38.350 tors. eta vs tors. theta energy: -74.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -806.143097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.143097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.143097 (E_RNA) where: Base-Base interactions energy: -514.513 where: short stacking energy: -234.905 Base-Backbone interact. energy: 0.593 local terms energy: -292.223514 where: bonds (distance) C4'-P energy: -54.221 bonds (distance) P-C4' energy: -57.961 flat angles C4'-P-C4' energy: -63.734 flat angles P-C4'-P energy: -50.839 tors. eta vs tors. theta energy: -65.468 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: 67 Temperature: 1.200000 Total energy: -770.050665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.050665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.050665 (E_RNA) where: Base-Base interactions energy: -517.331 where: short stacking energy: -240.093 Base-Backbone interact. energy: -0.266 local terms energy: -252.453516 where: bonds (distance) C4'-P energy: -47.386 bonds (distance) P-C4' energy: -56.243 flat angles C4'-P-C4' energy: -65.103 flat angles P-C4'-P energy: -33.381 tors. eta vs tors. theta energy: -50.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -599.057718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.057718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.057718 (E_RNA) where: Base-Base interactions energy: -365.670 where: short stacking energy: -174.905 Base-Backbone interact. energy: -0.806 local terms energy: -232.581586 where: bonds (distance) C4'-P energy: -57.803 bonds (distance) P-C4' energy: -59.981 flat angles C4'-P-C4' energy: -55.266 flat angles P-C4'-P energy: -36.436 tors. eta vs tors. theta energy: -23.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -547.206560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.206560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.206560 (E_RNA) where: Base-Base interactions energy: -334.472 where: short stacking energy: -174.634 Base-Backbone interact. energy: -0.471 local terms energy: -212.264336 where: bonds (distance) C4'-P energy: -49.394 bonds (distance) P-C4' energy: -45.882 flat angles C4'-P-C4' energy: -54.508 flat angles P-C4'-P energy: -33.825 tors. eta vs tors. theta energy: -28.656 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: 4 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -531.892418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.892418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.892418 (E_RNA) where: Base-Base interactions energy: -341.200 where: short stacking energy: -148.542 Base-Backbone interact. energy: 2.328 local terms energy: -193.020567 where: bonds (distance) C4'-P energy: -48.094 bonds (distance) P-C4' energy: -45.464 flat angles C4'-P-C4' energy: -47.803 flat angles P-C4'-P energy: -34.827 tors. eta vs tors. theta energy: -16.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1154.376510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.376510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.376510 (E_RNA) where: Base-Base interactions energy: -801.404 where: short stacking energy: -341.362 Base-Backbone interact. energy: -4.207 local terms energy: -348.765300 where: bonds (distance) C4'-P energy: -63.013 bonds (distance) P-C4' energy: -65.113 flat angles C4'-P-C4' energy: -75.648 flat angles P-C4'-P energy: -47.723 tors. eta vs tors. theta energy: -97.268 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: 7 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1126.105002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.105002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.105002 (E_RNA) where: Base-Base interactions energy: -782.014 where: short stacking energy: -338.207 Base-Backbone interact. energy: 4.667 local terms energy: -348.758710 where: bonds (distance) C4'-P energy: -63.821 bonds (distance) P-C4' energy: -67.216 flat angles C4'-P-C4' energy: -78.851 flat angles P-C4'-P energy: -48.653 tors. eta vs tors. theta energy: -90.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1045.794447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.794447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.794447 (E_RNA) where: Base-Base interactions energy: -735.588 where: short stacking energy: -326.346 Base-Backbone interact. energy: -1.036 local terms energy: -309.170715 where: bonds (distance) C4'-P energy: -47.340 bonds (distance) P-C4' energy: -55.060 flat angles C4'-P-C4' energy: -72.019 flat angles P-C4'-P energy: -41.948 tors. eta vs tors. theta energy: -92.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -973.690161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.690161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.690161 (E_RNA) where: Base-Base interactions energy: -652.088 where: short stacking energy: -285.133 Base-Backbone interact. energy: -2.394 local terms energy: -319.207721 where: bonds (distance) C4'-P energy: -57.903 bonds (distance) P-C4' energy: -60.219 flat angles C4'-P-C4' energy: -74.016 flat angles P-C4'-P energy: -45.917 tors. eta vs tors. theta energy: -81.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -952.858282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.858282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.858282 (E_RNA) where: Base-Base interactions energy: -657.964 where: short stacking energy: -288.389 Base-Backbone interact. energy: -0.643 local terms energy: -294.251207 where: bonds (distance) C4'-P energy: -51.387 bonds (distance) P-C4' energy: -58.309 flat angles C4'-P-C4' energy: -64.866 flat angles P-C4'-P energy: -45.055 tors. eta vs tors. theta energy: -74.635 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: 3 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -769.690909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.690909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.690909 (E_RNA) where: Base-Base interactions energy: -495.286 where: short stacking energy: -250.610 Base-Backbone interact. energy: -1.865 local terms energy: -272.540158 where: bonds (distance) C4'-P energy: -53.147 bonds (distance) P-C4' energy: -53.664 flat angles C4'-P-C4' energy: -65.853 flat angles P-C4'-P energy: -38.090 tors. eta vs tors. theta energy: -61.786 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: 8 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -762.843334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.843334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.843334 (E_RNA) where: Base-Base interactions energy: -517.727 where: short stacking energy: -223.555 Base-Backbone interact. energy: -0.083 local terms energy: -245.033196 where: bonds (distance) C4'-P energy: -52.883 bonds (distance) P-C4' energy: -55.862 flat angles C4'-P-C4' energy: -51.093 flat angles P-C4'-P energy: -41.678 tors. eta vs tors. theta energy: -43.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -563.311846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.311846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.311846 (E_RNA) where: Base-Base interactions energy: -341.747 where: short stacking energy: -166.014 Base-Backbone interact. energy: -0.497 local terms energy: -221.068534 where: bonds (distance) C4'-P energy: -56.844 bonds (distance) P-C4' energy: -47.286 flat angles C4'-P-C4' energy: -53.478 flat angles P-C4'-P energy: -33.017 tors. eta vs tors. theta energy: -30.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -611.459365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.459365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.459365 (E_RNA) where: Base-Base interactions energy: -402.134 where: short stacking energy: -193.169 Base-Backbone interact. energy: -0.443 local terms energy: -208.882590 where: bonds (distance) C4'-P energy: -40.601 bonds (distance) P-C4' energy: -47.812 flat angles C4'-P-C4' energy: -54.125 flat angles P-C4'-P energy: -36.662 tors. eta vs tors. theta energy: -29.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -511.440732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.440732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.440732 (E_RNA) where: Base-Base interactions energy: -280.785 where: short stacking energy: -140.612 Base-Backbone interact. energy: -1.006 local terms energy: -229.650365 where: bonds (distance) C4'-P energy: -56.991 bonds (distance) P-C4' energy: -56.474 flat angles C4'-P-C4' energy: -58.136 flat angles P-C4'-P energy: -37.024 tors. eta vs tors. theta energy: -21.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1164.065257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.065257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.065257 (E_RNA) where: Base-Base interactions energy: -811.760 where: short stacking energy: -343.241 Base-Backbone interact. energy: -3.498 local terms energy: -348.807565 where: bonds (distance) C4'-P energy: -69.517 bonds (distance) P-C4' energy: -67.219 flat angles C4'-P-C4' energy: -71.346 flat angles P-C4'-P energy: -47.384 tors. eta vs tors. theta energy: -93.341 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: 7 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1088.759486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.759486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.759486 (E_RNA) where: Base-Base interactions energy: -744.589 where: short stacking energy: -319.094 Base-Backbone interact. energy: -3.273 local terms energy: -340.897784 where: bonds (distance) C4'-P energy: -61.803 bonds (distance) P-C4' energy: -66.393 flat angles C4'-P-C4' energy: -71.396 flat angles P-C4'-P energy: -49.803 tors. eta vs tors. theta energy: -91.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1038.365485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.365485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.365485 (E_RNA) where: Base-Base interactions energy: -709.117 where: short stacking energy: -317.680 Base-Backbone interact. energy: -3.676 local terms energy: -325.572337 where: bonds (distance) C4'-P energy: -61.193 bonds (distance) P-C4' energy: -64.546 flat angles C4'-P-C4' energy: -63.712 flat angles P-C4'-P energy: -45.763 tors. eta vs tors. theta energy: -90.358 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: 10 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -992.116073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.116073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.116073 (E_RNA) where: Base-Base interactions energy: -678.403 where: short stacking energy: -306.487 Base-Backbone interact. energy: 0.088 local terms energy: -313.801377 where: bonds (distance) C4'-P energy: -61.135 bonds (distance) P-C4' energy: -58.485 flat angles C4'-P-C4' energy: -63.533 flat angles P-C4'-P energy: -51.527 tors. eta vs tors. theta energy: -79.122 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: 5 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -992.412930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.412930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.412930 (E_RNA) where: Base-Base interactions energy: -671.480 where: short stacking energy: -301.177 Base-Backbone interact. energy: -0.136 local terms energy: -320.797082 where: bonds (distance) C4'-P energy: -63.043 bonds (distance) P-C4' energy: -64.206 flat angles C4'-P-C4' energy: -64.955 flat angles P-C4'-P energy: -44.382 tors. eta vs tors. theta energy: -84.211 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: 8 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -795.968106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.968106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.968106 (E_RNA) where: Base-Base interactions energy: -512.185 where: short stacking energy: -244.103 Base-Backbone interact. energy: -0.372 local terms energy: -283.411111 where: bonds (distance) C4'-P energy: -58.260 bonds (distance) P-C4' energy: -63.116 flat angles C4'-P-C4' energy: -64.867 flat angles P-C4'-P energy: -33.056 tors. eta vs tors. theta energy: -64.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -806.869790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.869790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.869790 (E_RNA) where: Base-Base interactions energy: -515.302 where: short stacking energy: -253.378 Base-Backbone interact. energy: -1.250 local terms energy: -290.318027 where: bonds (distance) C4'-P energy: -56.780 bonds (distance) P-C4' energy: -63.980 flat angles C4'-P-C4' energy: -62.972 flat angles P-C4'-P energy: -42.788 tors. eta vs tors. theta energy: -63.798 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: 4 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -649.829036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.829036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.829036 (E_RNA) where: Base-Base interactions energy: -420.362 where: short stacking energy: -194.412 Base-Backbone interact. energy: -0.686 local terms energy: -228.780694 where: bonds (distance) C4'-P energy: -43.626 bonds (distance) P-C4' energy: -52.232 flat angles C4'-P-C4' energy: -61.852 flat angles P-C4'-P energy: -32.785 tors. eta vs tors. theta energy: -38.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -549.991155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.991155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.991155 (E_RNA) where: Base-Base interactions energy: -371.924 where: short stacking energy: -176.690 Base-Backbone interact. energy: -0.636 local terms energy: -177.431671 where: bonds (distance) C4'-P energy: -43.261 bonds (distance) P-C4' energy: -53.412 flat angles C4'-P-C4' energy: -49.161 flat angles P-C4'-P energy: -15.195 tors. eta vs tors. theta energy: -16.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -490.980011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.980011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.980011 (E_RNA) where: Base-Base interactions energy: -302.931 where: short stacking energy: -154.589 Base-Backbone interact. energy: 2.636 local terms energy: -190.684989 where: bonds (distance) C4'-P energy: -37.805 bonds (distance) P-C4' energy: -54.570 flat angles C4'-P-C4' energy: -44.150 flat angles P-C4'-P energy: -31.669 tors. eta vs tors. theta energy: -22.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1155.815254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.815254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.815254 (E_RNA) where: Base-Base interactions energy: -800.375 where: short stacking energy: -325.791 Base-Backbone interact. energy: -3.309 local terms energy: -352.131275 where: bonds (distance) C4'-P energy: -64.146 bonds (distance) P-C4' energy: -70.520 flat angles C4'-P-C4' energy: -77.625 flat angles P-C4'-P energy: -43.603 tors. eta vs tors. theta energy: -96.237 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: 7 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1098.963219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.963219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.963219 (E_RNA) where: Base-Base interactions energy: -773.049 where: short stacking energy: -337.520 Base-Backbone interact. energy: 5.003 local terms energy: -330.917903 where: bonds (distance) C4'-P energy: -57.547 bonds (distance) P-C4' energy: -69.152 flat angles C4'-P-C4' energy: -72.171 flat angles P-C4'-P energy: -41.729 tors. eta vs tors. theta energy: -90.319 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: 3, replica: 10 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1015.506216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.506216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.506216 (E_RNA) where: Base-Base interactions energy: -698.365 where: short stacking energy: -317.300 Base-Backbone interact. energy: 0.887 local terms energy: -318.028158 where: bonds (distance) C4'-P energy: -54.519 bonds (distance) P-C4' energy: -69.238 flat angles C4'-P-C4' energy: -62.402 flat angles P-C4'-P energy: -56.630 tors. eta vs tors. theta energy: -75.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1003.444120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.444120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.444120 (E_RNA) where: Base-Base interactions energy: -676.785 where: short stacking energy: -307.344 Base-Backbone interact. energy: -3.360 local terms energy: -323.298939 where: bonds (distance) C4'-P energy: -54.962 bonds (distance) P-C4' energy: -65.093 flat angles C4'-P-C4' energy: -69.525 flat angles P-C4'-P energy: -45.498 tors. eta vs tors. theta energy: -88.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -940.543411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.543411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.543411 (E_RNA) where: Base-Base interactions energy: -631.720 where: short stacking energy: -269.436 Base-Backbone interact. energy: -2.526 local terms energy: -306.296947 where: bonds (distance) C4'-P energy: -56.385 bonds (distance) P-C4' energy: -60.784 flat angles C4'-P-C4' energy: -68.912 flat angles P-C4'-P energy: -47.283 tors. eta vs tors. theta energy: -72.932 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: 8 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -757.336353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.336353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.336353 (E_RNA) where: Base-Base interactions energy: -479.195 where: short stacking energy: -223.162 Base-Backbone interact. energy: -2.594 local terms energy: -275.547348 where: bonds (distance) C4'-P energy: -56.843 bonds (distance) P-C4' energy: -59.676 flat angles C4'-P-C4' energy: -61.701 flat angles P-C4'-P energy: -46.317 tors. eta vs tors. theta energy: -51.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -812.763307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.763307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.763307 (E_RNA) where: Base-Base interactions energy: -521.456 where: short stacking energy: -240.754 Base-Backbone interact. energy: -1.317 local terms energy: -289.990366 where: bonds (distance) C4'-P energy: -49.275 bonds (distance) P-C4' energy: -65.444 flat angles C4'-P-C4' energy: -68.119 flat angles P-C4'-P energy: -43.827 tors. eta vs tors. theta energy: -63.325 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: 8, replica: 4 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -642.774802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.774802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.774802 (E_RNA) where: Base-Base interactions energy: -417.007 where: short stacking energy: -172.237 Base-Backbone interact. energy: 1.639 local terms energy: -227.406913 where: bonds (distance) C4'-P energy: -53.765 bonds (distance) P-C4' energy: -55.167 flat angles C4'-P-C4' energy: -52.736 flat angles P-C4'-P energy: -40.394 tors. eta vs tors. theta energy: -25.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -565.357227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.357227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.357227 (E_RNA) where: Base-Base interactions energy: -354.374 where: short stacking energy: -169.259 Base-Backbone interact. energy: -0.462 local terms energy: -210.520831 where: bonds (distance) C4'-P energy: -46.049 bonds (distance) P-C4' energy: -54.909 flat angles C4'-P-C4' energy: -58.522 flat angles P-C4'-P energy: -30.856 tors. eta vs tors. theta energy: -20.184 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: 9 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -488.875141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.875141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.875141 (E_RNA) where: Base-Base interactions energy: -289.367 where: short stacking energy: -135.888 Base-Backbone interact. energy: -3.196 local terms energy: -196.312163 where: bonds (distance) C4'-P energy: -40.888 bonds (distance) P-C4' energy: -50.659 flat angles C4'-P-C4' energy: -49.088 flat angles P-C4'-P energy: -32.346 tors. eta vs tors. theta energy: -23.331 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: 6 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1141.966283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.966283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.966283 (E_RNA) where: Base-Base interactions energy: -790.467 where: short stacking energy: -343.746 Base-Backbone interact. energy: -2.697 local terms energy: -348.801983 where: bonds (distance) C4'-P energy: -68.175 bonds (distance) P-C4' energy: -61.882 flat angles C4'-P-C4' energy: -76.757 flat angles P-C4'-P energy: -46.986 tors. eta vs tors. theta energy: -95.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1082.183745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.183745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.183745 (E_RNA) where: Base-Base interactions energy: -757.165 where: short stacking energy: -321.980 Base-Backbone interact. energy: 2.932 local terms energy: -327.950559 where: bonds (distance) C4'-P energy: -61.350 bonds (distance) P-C4' energy: -62.090 flat angles C4'-P-C4' energy: -69.322 flat angles P-C4'-P energy: -44.883 tors. eta vs tors. theta energy: -90.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1047.714429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.714429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.714429 (E_RNA) where: Base-Base interactions energy: -715.841 where: short stacking energy: -325.431 Base-Backbone interact. energy: -0.454 local terms energy: -331.419719 where: bonds (distance) C4'-P energy: -49.278 bonds (distance) P-C4' energy: -67.322 flat angles C4'-P-C4' energy: -73.328 flat angles P-C4'-P energy: -52.503 tors. eta vs tors. theta energy: -88.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1007.981923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.981923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.981923 (E_RNA) where: Base-Base interactions energy: -678.567 where: short stacking energy: -309.847 Base-Backbone interact. energy: -2.856 local terms energy: -326.558813 where: bonds (distance) C4'-P energy: -65.882 bonds (distance) P-C4' energy: -65.585 flat angles C4'-P-C4' energy: -64.508 flat angles P-C4'-P energy: -43.408 tors. eta vs tors. theta energy: -87.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -938.549278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.549278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.549278 (E_RNA) where: Base-Base interactions energy: -640.817 where: short stacking energy: -274.524 Base-Backbone interact. energy: -1.455 local terms energy: -296.277213 where: bonds (distance) C4'-P energy: -52.758 bonds (distance) P-C4' energy: -63.801 flat angles C4'-P-C4' energy: -71.723 flat angles P-C4'-P energy: -45.623 tors. eta vs tors. theta energy: -62.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -830.212443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.212443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.212443 (E_RNA) where: Base-Base interactions energy: -554.686 where: short stacking energy: -253.602 Base-Backbone interact. energy: 0.020 local terms energy: -275.546553 where: bonds (distance) C4'-P energy: -56.985 bonds (distance) P-C4' energy: -59.961 flat angles C4'-P-C4' energy: -59.103 flat angles P-C4'-P energy: -42.126 tors. eta vs tors. theta energy: -57.370 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: 8 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -765.052841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.052841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.052841 (E_RNA) where: Base-Base interactions energy: -509.394 where: short stacking energy: -224.927 Base-Backbone interact. energy: 2.694 local terms energy: -258.352729 where: bonds (distance) C4'-P energy: -60.093 bonds (distance) P-C4' energy: -54.338 flat angles C4'-P-C4' energy: -68.960 flat angles P-C4'-P energy: -31.274 tors. eta vs tors. theta energy: -43.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -655.254034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.254034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.254034 (E_RNA) where: Base-Base interactions energy: -421.346 where: short stacking energy: -215.306 Base-Backbone interact. energy: -1.142 local terms energy: -232.766034 where: bonds (distance) C4'-P energy: -48.212 bonds (distance) P-C4' energy: -50.044 flat angles C4'-P-C4' energy: -56.909 flat angles P-C4'-P energy: -36.950 tors. eta vs tors. theta energy: -40.651 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: 2 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -560.196585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.196585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.196585 (E_RNA) where: Base-Base interactions energy: -359.017 where: short stacking energy: -176.384 Base-Backbone interact. energy: 1.744 local terms energy: -202.923680 where: bonds (distance) C4'-P energy: -40.166 bonds (distance) P-C4' energy: -49.547 flat angles C4'-P-C4' energy: -48.288 flat angles P-C4'-P energy: -40.093 tors. eta vs tors. theta energy: -24.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -522.175101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.175101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.175101 (E_RNA) where: Base-Base interactions energy: -312.071 where: short stacking energy: -164.022 Base-Backbone interact. energy: 2.753 local terms energy: -212.857115 where: bonds (distance) C4'-P energy: -50.221 bonds (distance) P-C4' energy: -60.452 flat angles C4'-P-C4' energy: -58.412 flat angles P-C4'-P energy: -25.432 tors. eta vs tors. theta energy: -18.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1140.624115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.624115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.624115 (E_RNA) where: Base-Base interactions energy: -789.285 where: short stacking energy: -338.951 Base-Backbone interact. energy: -0.171 local terms energy: -351.168356 where: bonds (distance) C4'-P energy: -68.881 bonds (distance) P-C4' energy: -65.120 flat angles C4'-P-C4' energy: -75.097 flat angles P-C4'-P energy: -49.974 tors. eta vs tors. theta energy: -92.096 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: 7 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1072.418669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.418669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.418669 (E_RNA) where: Base-Base interactions energy: -735.398 where: short stacking energy: -326.618 Base-Backbone interact. energy: -2.593 local terms energy: -334.427171 where: bonds (distance) C4'-P energy: -57.136 bonds (distance) P-C4' energy: -67.689 flat angles C4'-P-C4' energy: -70.642 flat angles P-C4'-P energy: -46.463 tors. eta vs tors. theta energy: -92.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1041.078761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.078761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.078761 (E_RNA) where: Base-Base interactions energy: -717.510 where: short stacking energy: -316.700 Base-Backbone interact. energy: -1.749 local terms energy: -321.819867 where: bonds (distance) C4'-P energy: -58.301 bonds (distance) P-C4' energy: -66.852 flat angles C4'-P-C4' energy: -68.862 flat angles P-C4'-P energy: -47.975 tors. eta vs tors. theta energy: -79.830 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: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -992.127731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.127731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.127731 (E_RNA) where: Base-Base interactions energy: -680.035 where: short stacking energy: -288.369 Base-Backbone interact. energy: -1.114 local terms energy: -310.978892 where: bonds (distance) C4'-P energy: -53.954 bonds (distance) P-C4' energy: -66.933 flat angles C4'-P-C4' energy: -65.180 flat angles P-C4'-P energy: -44.250 tors. eta vs tors. theta energy: -80.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -962.371574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.371574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.371574 (E_RNA) where: Base-Base interactions energy: -655.671 where: short stacking energy: -283.163 Base-Backbone interact. energy: -1.410 local terms energy: -305.291030 where: bonds (distance) C4'-P energy: -60.228 bonds (distance) P-C4' energy: -59.927 flat angles C4'-P-C4' energy: -67.647 flat angles P-C4'-P energy: -42.753 tors. eta vs tors. theta energy: -74.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -840.146732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.146732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.146732 (E_RNA) where: Base-Base interactions energy: -550.906 where: short stacking energy: -265.784 Base-Backbone interact. energy: -1.077 local terms energy: -288.163178 where: bonds (distance) C4'-P energy: -56.500 bonds (distance) P-C4' energy: -60.420 flat angles C4'-P-C4' energy: -59.548 flat angles P-C4'-P energy: -47.523 tors. eta vs tors. theta energy: -64.172 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: 8 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -744.330645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.330645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.330645 (E_RNA) where: Base-Base interactions energy: -489.450 where: short stacking energy: -214.772 Base-Backbone interact. energy: -2.448 local terms energy: -252.432087 where: bonds (distance) C4'-P energy: -56.644 bonds (distance) P-C4' energy: -58.173 flat angles C4'-P-C4' energy: -58.278 flat angles P-C4'-P energy: -32.009 tors. eta vs tors. theta energy: -47.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -647.791132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.791132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.791132 (E_RNA) where: Base-Base interactions energy: -398.610 where: short stacking energy: -177.698 Base-Backbone interact. energy: 5.263 local terms energy: -254.444444 where: bonds (distance) C4'-P energy: -57.958 bonds (distance) P-C4' energy: -64.684 flat angles C4'-P-C4' energy: -55.104 flat angles P-C4'-P energy: -40.346 tors. eta vs tors. theta energy: -36.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -547.877267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.877267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.877267 (E_RNA) where: Base-Base interactions energy: -324.689 where: short stacking energy: -154.473 Base-Backbone interact. energy: -1.586 local terms energy: -221.602840 where: bonds (distance) C4'-P energy: -52.856 bonds (distance) P-C4' energy: -67.293 flat angles C4'-P-C4' energy: -53.680 flat angles P-C4'-P energy: -22.461 tors. eta vs tors. theta energy: -25.313 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: 2 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -544.271185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.271185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.271185 (E_RNA) where: Base-Base interactions energy: -329.051 where: short stacking energy: -154.048 Base-Backbone interact. energy: -1.159 local terms energy: -214.061149 where: bonds (distance) C4'-P energy: -45.405 bonds (distance) P-C4' energy: -57.182 flat angles C4'-P-C4' energy: -48.580 flat angles P-C4'-P energy: -37.422 tors. eta vs tors. theta energy: -25.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1141.490895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.490895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.490895 (E_RNA) where: Base-Base interactions energy: -787.677 where: short stacking energy: -329.199 Base-Backbone interact. energy: -3.584 local terms energy: -350.229407 where: bonds (distance) C4'-P energy: -69.546 bonds (distance) P-C4' energy: -65.057 flat angles C4'-P-C4' energy: -71.373 flat angles P-C4'-P energy: -53.687 tors. eta vs tors. theta energy: -90.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1076.263559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.263559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.263559 (E_RNA) where: Base-Base interactions energy: -741.755 where: short stacking energy: -329.598 Base-Backbone interact. energy: -1.992 local terms energy: -332.516727 where: bonds (distance) C4'-P energy: -59.697 bonds (distance) P-C4' energy: -61.281 flat angles C4'-P-C4' energy: -77.733 flat angles P-C4'-P energy: -43.343 tors. eta vs tors. theta energy: -90.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1067.476242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.476242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.476242 (E_RNA) where: Base-Base interactions energy: -741.762 where: short stacking energy: -329.305 Base-Backbone interact. energy: 5.307 local terms energy: -331.021216 where: bonds (distance) C4'-P energy: -60.126 bonds (distance) P-C4' energy: -68.463 flat angles C4'-P-C4' energy: -68.237 flat angles P-C4'-P energy: -50.893 tors. eta vs tors. theta energy: -83.303 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: 4, replica: 5 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -988.429743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.429743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.429743 (E_RNA) where: Base-Base interactions energy: -688.371 where: short stacking energy: -318.308 Base-Backbone interact. energy: 1.234 local terms energy: -301.293278 where: bonds (distance) C4'-P energy: -56.734 bonds (distance) P-C4' energy: -57.566 flat angles C4'-P-C4' energy: -65.980 flat angles P-C4'-P energy: -46.133 tors. eta vs tors. theta energy: -74.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -971.689958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.689958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.689958 (E_RNA) where: Base-Base interactions energy: -673.126 where: short stacking energy: -306.811 Base-Backbone interact. energy: -2.051 local terms energy: -296.513056 where: bonds (distance) C4'-P energy: -55.807 bonds (distance) P-C4' energy: -50.079 flat angles C4'-P-C4' energy: -70.995 flat angles P-C4'-P energy: -37.017 tors. eta vs tors. theta energy: -82.615 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: 6, replica: 3 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -824.104219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.104219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.104219 (E_RNA) where: Base-Base interactions energy: -535.573 where: short stacking energy: -245.906 Base-Backbone interact. energy: -1.630 local terms energy: -286.901018 where: bonds (distance) C4'-P energy: -56.621 bonds (distance) P-C4' energy: -70.650 flat angles C4'-P-C4' energy: -59.295 flat angles P-C4'-P energy: -43.450 tors. eta vs tors. theta energy: -56.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -766.295266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.295266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.295266 (E_RNA) where: Base-Base interactions energy: -512.479 where: short stacking energy: -214.263 Base-Backbone interact. energy: -0.383 local terms energy: -253.433177 where: bonds (distance) C4'-P energy: -57.767 bonds (distance) P-C4' energy: -58.231 flat angles C4'-P-C4' energy: -60.166 flat angles P-C4'-P energy: -31.946 tors. eta vs tors. theta energy: -45.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -642.439692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.439692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.439692 (E_RNA) where: Base-Base interactions energy: -391.672 where: short stacking energy: -192.623 Base-Backbone interact. energy: -1.107 local terms energy: -249.660257 where: bonds (distance) C4'-P energy: -53.470 bonds (distance) P-C4' energy: -52.194 flat angles C4'-P-C4' energy: -62.457 flat angles P-C4'-P energy: -40.352 tors. eta vs tors. theta energy: -41.188 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: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -599.836951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.836951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.836951 (E_RNA) where: Base-Base interactions energy: -386.640 where: short stacking energy: -180.754 Base-Backbone interact. energy: -1.202 local terms energy: -211.994076 where: bonds (distance) C4'-P energy: -46.093 bonds (distance) P-C4' energy: -55.691 flat angles C4'-P-C4' energy: -59.202 flat angles P-C4'-P energy: -28.606 tors. eta vs tors. theta energy: -22.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -533.618049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.618049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.618049 (E_RNA) where: Base-Base interactions energy: -345.143 where: short stacking energy: -144.758 Base-Backbone interact. energy: -1.787 local terms energy: -186.688836 where: bonds (distance) C4'-P energy: -54.412 bonds (distance) P-C4' energy: -44.890 flat angles C4'-P-C4' energy: -50.659 flat angles P-C4'-P energy: -34.200 tors. eta vs tors. theta energy: -2.528 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: 6 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1142.522762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.522762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.522762 (E_RNA) where: Base-Base interactions energy: -799.217 where: short stacking energy: -333.983 Base-Backbone interact. energy: -0.838 local terms energy: -342.467291 where: bonds (distance) C4'-P energy: -68.985 bonds (distance) P-C4' energy: -64.157 flat angles C4'-P-C4' energy: -75.809 flat angles P-C4'-P energy: -46.552 tors. eta vs tors. theta energy: -86.964 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: 10 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1085.562757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.562757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.562757 (E_RNA) where: Base-Base interactions energy: -740.711 where: short stacking energy: -322.606 Base-Backbone interact. energy: -0.633 local terms energy: -344.219212 where: bonds (distance) C4'-P energy: -65.488 bonds (distance) P-C4' energy: -72.753 flat angles C4'-P-C4' energy: -74.516 flat angles P-C4'-P energy: -52.769 tors. eta vs tors. theta energy: -78.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1025.156205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.156205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.156205 (E_RNA) where: Base-Base interactions energy: -694.748 where: short stacking energy: -308.769 Base-Backbone interact. energy: -1.548 local terms energy: -328.860170 where: bonds (distance) C4'-P energy: -67.162 bonds (distance) P-C4' energy: -55.127 flat angles C4'-P-C4' energy: -74.921 flat angles P-C4'-P energy: -54.287 tors. eta vs tors. theta energy: -77.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1033.121827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.121827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.121827 (E_RNA) where: Base-Base interactions energy: -704.402 where: short stacking energy: -302.923 Base-Backbone interact. energy: 0.145 local terms energy: -328.865095 where: bonds (distance) C4'-P energy: -64.878 bonds (distance) P-C4' energy: -69.616 flat angles C4'-P-C4' energy: -67.151 flat angles P-C4'-P energy: -40.845 tors. eta vs tors. theta energy: -86.375 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: 1 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -999.862087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.862087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.862087 (E_RNA) where: Base-Base interactions energy: -690.465 where: short stacking energy: -306.172 Base-Backbone interact. energy: -1.488 local terms energy: -307.908927 where: bonds (distance) C4'-P energy: -44.825 bonds (distance) P-C4' energy: -59.472 flat angles C4'-P-C4' energy: -71.036 flat angles P-C4'-P energy: -44.198 tors. eta vs tors. theta energy: -88.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -825.177617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.177617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.177617 (E_RNA) where: Base-Base interactions energy: -559.918 where: short stacking energy: -260.497 Base-Backbone interact. energy: -1.224 local terms energy: -264.035742 where: bonds (distance) C4'-P energy: -52.660 bonds (distance) P-C4' energy: -57.353 flat angles C4'-P-C4' energy: -60.081 flat angles P-C4'-P energy: -29.496 tors. eta vs tors. theta energy: -64.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -807.459932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.459932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.459932 (E_RNA) where: Base-Base interactions energy: -538.626 where: short stacking energy: -240.915 Base-Backbone interact. energy: -0.347 local terms energy: -268.487169 where: bonds (distance) C4'-P energy: -50.516 bonds (distance) P-C4' energy: -55.638 flat angles C4'-P-C4' energy: -59.877 flat angles P-C4'-P energy: -41.252 tors. eta vs tors. theta energy: -61.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -652.359526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.359526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.359526 (E_RNA) where: Base-Base interactions energy: -418.364 where: short stacking energy: -187.084 Base-Backbone interact. energy: 5.646 local terms energy: -239.641529 where: bonds (distance) C4'-P energy: -55.726 bonds (distance) P-C4' energy: -62.408 flat angles C4'-P-C4' energy: -60.377 flat angles P-C4'-P energy: -32.445 tors. eta vs tors. theta energy: -28.685 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: 9, replica: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -571.059195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.059195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.059195 (E_RNA) where: Base-Base interactions energy: -360.774 where: short stacking energy: -156.905 Base-Backbone interact. energy: -1.496 local terms energy: -208.789941 where: bonds (distance) C4'-P energy: -52.367 bonds (distance) P-C4' energy: -53.714 flat angles C4'-P-C4' energy: -60.977 flat angles P-C4'-P energy: -24.258 tors. eta vs tors. theta energy: -17.473 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: 2 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -554.179658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.179658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.179658 (E_RNA) where: Base-Base interactions energy: -330.348 where: short stacking energy: -170.746 Base-Backbone interact. energy: -0.879 local terms energy: -222.953254 where: bonds (distance) C4'-P energy: -44.446 bonds (distance) P-C4' energy: -60.574 flat angles C4'-P-C4' energy: -50.871 flat angles P-C4'-P energy: -37.658 tors. eta vs tors. theta energy: -29.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1148.046663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.046663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.046663 (E_RNA) where: Base-Base interactions energy: -811.806 where: short stacking energy: -332.032 Base-Backbone interact. energy: -2.801 local terms energy: -333.439313 where: bonds (distance) C4'-P energy: -58.832 bonds (distance) P-C4' energy: -58.456 flat angles C4'-P-C4' energy: -77.363 flat angles P-C4'-P energy: -44.098 tors. eta vs tors. theta energy: -94.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1081.557391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.557391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.557391 (E_RNA) where: Base-Base interactions energy: -740.562 where: short stacking energy: -323.535 Base-Backbone interact. energy: -0.657 local terms energy: -340.338555 where: bonds (distance) C4'-P energy: -65.716 bonds (distance) P-C4' energy: -64.441 flat angles C4'-P-C4' energy: -74.723 flat angles P-C4'-P energy: -42.927 tors. eta vs tors. theta energy: -92.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1022.860289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.860289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.860289 (E_RNA) where: Base-Base interactions energy: -719.517 where: short stacking energy: -311.649 Base-Backbone interact. energy: -1.232 local terms energy: -302.111047 where: bonds (distance) C4'-P energy: -54.986 bonds (distance) P-C4' energy: -54.637 flat angles C4'-P-C4' energy: -61.643 flat angles P-C4'-P energy: -50.506 tors. eta vs tors. theta energy: -80.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1027.133218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.133218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.133218 (E_RNA) where: Base-Base interactions energy: -736.832 where: short stacking energy: -331.090 Base-Backbone interact. energy: 0.758 local terms energy: -291.060074 where: bonds (distance) C4'-P energy: -45.586 bonds (distance) P-C4' energy: -58.850 flat angles C4'-P-C4' energy: -62.657 flat angles P-C4'-P energy: -41.858 tors. eta vs tors. theta energy: -82.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -952.307346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.307346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.307346 (E_RNA) where: Base-Base interactions energy: -654.463 where: short stacking energy: -280.318 Base-Backbone interact. energy: -1.551 local terms energy: -296.293021 where: bonds (distance) C4'-P energy: -53.207 bonds (distance) P-C4' energy: -61.449 flat angles C4'-P-C4' energy: -53.630 flat angles P-C4'-P energy: -47.542 tors. eta vs tors. theta energy: -80.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -813.967541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.967541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.967541 (E_RNA) where: Base-Base interactions energy: -549.731 where: short stacking energy: -245.165 Base-Backbone interact. energy: -1.070 local terms energy: -263.166522 where: bonds (distance) C4'-P energy: -54.813 bonds (distance) P-C4' energy: -50.880 flat angles C4'-P-C4' energy: -68.254 flat angles P-C4'-P energy: -33.243 tors. eta vs tors. theta energy: -55.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -799.170719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.170719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.170719 (E_RNA) where: Base-Base interactions energy: -531.673 where: short stacking energy: -247.397 Base-Backbone interact. energy: 1.425 local terms energy: -268.922922 where: bonds (distance) C4'-P energy: -55.988 bonds (distance) P-C4' energy: -55.111 flat angles C4'-P-C4' energy: -71.157 flat angles P-C4'-P energy: -31.343 tors. eta vs tors. theta energy: -55.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -655.692509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.692509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.692509 (E_RNA) where: Base-Base interactions energy: -396.181 where: short stacking energy: -180.606 Base-Backbone interact. energy: -1.120 local terms energy: -258.392234 where: bonds (distance) C4'-P energy: -62.048 bonds (distance) P-C4' energy: -60.180 flat angles C4'-P-C4' energy: -64.197 flat angles P-C4'-P energy: -32.775 tors. eta vs tors. theta energy: -39.193 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: 9, replica: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -587.901961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.901961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.901961 (E_RNA) where: Base-Base interactions energy: -361.961 where: short stacking energy: -166.505 Base-Backbone interact. energy: -1.595 local terms energy: -224.346693 where: bonds (distance) C4'-P energy: -64.177 bonds (distance) P-C4' energy: -49.113 flat angles C4'-P-C4' energy: -51.133 flat angles P-C4'-P energy: -34.010 tors. eta vs tors. theta energy: -25.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -525.455134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.455134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.455134 (E_RNA) where: Base-Base interactions energy: -323.884 where: short stacking energy: -166.147 Base-Backbone interact. energy: -0.194 local terms energy: -201.376903 where: bonds (distance) C4'-P energy: -45.286 bonds (distance) P-C4' energy: -55.690 flat angles C4'-P-C4' energy: -52.438 flat angles P-C4'-P energy: -32.257 tors. eta vs tors. theta energy: -15.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1127.619446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.619446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.619446 (E_RNA) where: Base-Base interactions energy: -768.755 where: short stacking energy: -339.875 Base-Backbone interact. energy: -0.284 local terms energy: -358.579813 where: bonds (distance) C4'-P energy: -72.242 bonds (distance) P-C4' energy: -60.801 flat angles C4'-P-C4' energy: -78.564 flat angles P-C4'-P energy: -53.720 tors. eta vs tors. theta energy: -93.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1087.112585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.112585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.112585 (E_RNA) where: Base-Base interactions energy: -765.170 where: short stacking energy: -351.591 Base-Backbone interact. energy: -2.676 local terms energy: -319.266257 where: bonds (distance) C4'-P energy: -62.386 bonds (distance) P-C4' energy: -56.179 flat angles C4'-P-C4' energy: -70.794 flat angles P-C4'-P energy: -40.992 tors. eta vs tors. theta energy: -88.915 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: 76 Temperature: 1.000000 Total energy: -1058.159556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.159556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.159556 (E_RNA) where: Base-Base interactions energy: -739.344 where: short stacking energy: -320.618 Base-Backbone interact. energy: -1.169 local terms energy: -317.646776 where: bonds (distance) C4'-P energy: -65.923 bonds (distance) P-C4' energy: -57.979 flat angles C4'-P-C4' energy: -74.116 flat angles P-C4'-P energy: -34.085 tors. eta vs tors. theta energy: -85.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1013.792245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.792245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.792245 (E_RNA) where: Base-Base interactions energy: -686.286 where: short stacking energy: -283.838 Base-Backbone interact. energy: -2.528 local terms energy: -324.978603 where: bonds (distance) C4'-P energy: -65.737 bonds (distance) P-C4' energy: -66.223 flat angles C4'-P-C4' energy: -74.237 flat angles P-C4'-P energy: -39.539 tors. eta vs tors. theta energy: -79.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -989.225665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.225665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.225665 (E_RNA) where: Base-Base interactions energy: -664.760 where: short stacking energy: -294.035 Base-Backbone interact. energy: -1.098 local terms energy: -323.367361 where: bonds (distance) C4'-P energy: -62.640 bonds (distance) P-C4' energy: -64.914 flat angles C4'-P-C4' energy: -67.375 flat angles P-C4'-P energy: -42.406 tors. eta vs tors. theta energy: -86.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -837.070797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.070797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.070797 (E_RNA) where: Base-Base interactions energy: -576.017 where: short stacking energy: -253.027 Base-Backbone interact. energy: 0.252 local terms energy: -261.306069 where: bonds (distance) C4'-P energy: -42.804 bonds (distance) P-C4' energy: -60.153 flat angles C4'-P-C4' energy: -57.891 flat angles P-C4'-P energy: -41.454 tors. eta vs tors. theta energy: -59.005 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: 3 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -804.655147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.655147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.655147 (E_RNA) where: Base-Base interactions energy: -533.475 where: short stacking energy: -250.715 Base-Backbone interact. energy: -0.810 local terms energy: -270.370258 where: bonds (distance) C4'-P energy: -49.486 bonds (distance) P-C4' energy: -58.332 flat angles C4'-P-C4' energy: -64.807 flat angles P-C4'-P energy: -35.603 tors. eta vs tors. theta energy: -62.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -692.754991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.754991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.754991 (E_RNA) where: Base-Base interactions energy: -463.227 where: short stacking energy: -204.998 Base-Backbone interact. energy: -0.616 local terms energy: -228.912445 where: bonds (distance) C4'-P energy: -53.663 bonds (distance) P-C4' energy: -46.822 flat angles C4'-P-C4' energy: -48.910 flat angles P-C4'-P energy: -37.844 tors. eta vs tors. theta energy: -41.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -537.847666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.847666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.847666 (E_RNA) where: Base-Base interactions energy: -318.294 where: short stacking energy: -153.656 Base-Backbone interact. energy: 0.129 local terms energy: -219.682112 where: bonds (distance) C4'-P energy: -53.772 bonds (distance) P-C4' energy: -63.171 flat angles C4'-P-C4' energy: -37.455 flat angles P-C4'-P energy: -30.231 tors. eta vs tors. theta energy: -35.053 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: 2 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -559.520935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.520935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.520935 (E_RNA) where: Base-Base interactions energy: -338.887 where: short stacking energy: -159.661 Base-Backbone interact. energy: -1.860 local terms energy: -218.774402 where: bonds (distance) C4'-P energy: -41.628 bonds (distance) P-C4' energy: -52.277 flat angles C4'-P-C4' energy: -49.134 flat angles P-C4'-P energy: -44.016 tors. eta vs tors. theta energy: -31.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1144.752242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.752242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.752242 (E_RNA) where: Base-Base interactions energy: -800.208 where: short stacking energy: -346.623 Base-Backbone interact. energy: -0.137 local terms energy: -344.407272 where: bonds (distance) C4'-P energy: -66.868 bonds (distance) P-C4' energy: -61.961 flat angles C4'-P-C4' energy: -72.569 flat angles P-C4'-P energy: -48.401 tors. eta vs tors. theta energy: -94.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1087.004776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.004776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.004776 (E_RNA) where: Base-Base interactions energy: -741.016 where: short stacking energy: -336.399 Base-Backbone interact. energy: 0.074 local terms energy: -346.063463 where: bonds (distance) C4'-P energy: -66.259 bonds (distance) P-C4' energy: -71.129 flat angles C4'-P-C4' energy: -74.140 flat angles P-C4'-P energy: -45.383 tors. eta vs tors. theta energy: -89.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1056.673011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.673011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.673011 (E_RNA) where: Base-Base interactions energy: -732.000 where: short stacking energy: -311.172 Base-Backbone interact. energy: 0.573 local terms energy: -325.246093 where: bonds (distance) C4'-P energy: -59.743 bonds (distance) P-C4' energy: -62.695 flat angles C4'-P-C4' energy: -71.371 flat angles P-C4'-P energy: -48.134 tors. eta vs tors. theta energy: -83.303 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: 4, replica: 1 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -994.096099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.096099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.096099 (E_RNA) where: Base-Base interactions energy: -686.764 where: short stacking energy: -300.410 Base-Backbone interact. energy: -1.859 local terms energy: -305.473795 where: bonds (distance) C4'-P energy: -58.907 bonds (distance) P-C4' energy: -51.878 flat angles C4'-P-C4' energy: -72.684 flat angles P-C4'-P energy: -36.450 tors. eta vs tors. theta energy: -85.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -971.049975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.049975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.049975 (E_RNA) where: Base-Base interactions energy: -674.377 where: short stacking energy: -292.262 Base-Backbone interact. energy: -1.020 local terms energy: -295.653647 where: bonds (distance) C4'-P energy: -58.392 bonds (distance) P-C4' energy: -59.128 flat angles C4'-P-C4' energy: -61.952 flat angles P-C4'-P energy: -41.674 tors. eta vs tors. theta energy: -74.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -829.095276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.095276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.095276 (E_RNA) where: Base-Base interactions energy: -551.318 where: short stacking energy: -249.009 Base-Backbone interact. energy: -0.975 local terms energy: -276.802238 where: bonds (distance) C4'-P energy: -44.166 bonds (distance) P-C4' energy: -65.699 flat angles C4'-P-C4' energy: -61.422 flat angles P-C4'-P energy: -41.771 tors. eta vs tors. theta energy: -63.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -803.615814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.615814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.615814 (E_RNA) where: Base-Base interactions energy: -527.229 where: short stacking energy: -260.469 Base-Backbone interact. energy: -0.597 local terms energy: -275.789871 where: bonds (distance) C4'-P energy: -58.740 bonds (distance) P-C4' energy: -49.006 flat angles C4'-P-C4' energy: -59.376 flat angles P-C4'-P energy: -36.985 tors. eta vs tors. theta energy: -71.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -723.611789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.611789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.611789 (E_RNA) where: Base-Base interactions energy: -461.610 where: short stacking energy: -197.250 Base-Backbone interact. energy: 0.844 local terms energy: -262.845686 where: bonds (distance) C4'-P energy: -53.693 bonds (distance) P-C4' energy: -57.727 flat angles C4'-P-C4' energy: -63.108 flat angles P-C4'-P energy: -50.709 tors. eta vs tors. theta energy: -37.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -610.855151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.855151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.855151 (E_RNA) where: Base-Base interactions energy: -405.126 where: short stacking energy: -161.904 Base-Backbone interact. energy: -0.863 local terms energy: -204.865882 where: bonds (distance) C4'-P energy: -52.841 bonds (distance) P-C4' energy: -60.422 flat angles C4'-P-C4' energy: -45.889 flat angles P-C4'-P energy: -30.649 tors. eta vs tors. theta energy: -15.064 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: 2 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -534.845346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.845346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.845346 (E_RNA) where: Base-Base interactions energy: -322.318 where: short stacking energy: -126.306 Base-Backbone interact. energy: -1.204 local terms energy: -211.322906 where: bonds (distance) C4'-P energy: -57.238 bonds (distance) P-C4' energy: -52.139 flat angles C4'-P-C4' energy: -55.247 flat angles P-C4'-P energy: -26.661 tors. eta vs tors. theta energy: -20.038 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: 6 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1157.426877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.426877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.426877 (E_RNA) where: Base-Base interactions energy: -806.519 where: short stacking energy: -339.292 Base-Backbone interact. energy: -1.945 local terms energy: -348.962408 where: bonds (distance) C4'-P energy: -66.063 bonds (distance) P-C4' energy: -62.810 flat angles C4'-P-C4' energy: -72.163 flat angles P-C4'-P energy: -52.523 tors. eta vs tors. theta energy: -95.403 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: 10 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1050.300057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.300057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.300057 (E_RNA) where: Base-Base interactions energy: -706.975 where: short stacking energy: -318.675 Base-Backbone interact. energy: -0.410 local terms energy: -342.914928 where: bonds (distance) C4'-P energy: -65.247 bonds (distance) P-C4' energy: -66.529 flat angles C4'-P-C4' energy: -74.892 flat angles P-C4'-P energy: -49.145 tors. eta vs tors. theta energy: -87.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1024.151657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.151657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.151657 (E_RNA) where: Base-Base interactions energy: -717.758 where: short stacking energy: -302.999 Base-Backbone interact. energy: 0.974 local terms energy: -307.367117 where: bonds (distance) C4'-P energy: -59.728 bonds (distance) P-C4' energy: -54.442 flat angles C4'-P-C4' energy: -65.710 flat angles P-C4'-P energy: -47.759 tors. eta vs tors. theta energy: -79.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1030.768016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.768016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.768016 (E_RNA) where: Base-Base interactions energy: -704.179 where: short stacking energy: -286.297 Base-Backbone interact. energy: -2.416 local terms energy: -324.173028 where: bonds (distance) C4'-P energy: -61.050 bonds (distance) P-C4' energy: -60.871 flat angles C4'-P-C4' energy: -75.553 flat angles P-C4'-P energy: -49.808 tors. eta vs tors. theta energy: -76.891 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: 78 Temperature: 1.100000 Total energy: -1019.197277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.197277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.197277 (E_RNA) where: Base-Base interactions energy: -717.541 where: short stacking energy: -308.207 Base-Backbone interact. energy: -0.604 local terms energy: -301.052380 where: bonds (distance) C4'-P energy: -57.721 bonds (distance) P-C4' energy: -61.203 flat angles C4'-P-C4' energy: -69.324 flat angles P-C4'-P energy: -36.321 tors. eta vs tors. theta energy: -76.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -818.161125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.161125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.161125 (E_RNA) where: Base-Base interactions energy: -551.632 where: short stacking energy: -251.726 Base-Backbone interact. energy: -0.274 local terms energy: -266.254662 where: bonds (distance) C4'-P energy: -58.721 bonds (distance) P-C4' energy: -56.493 flat angles C4'-P-C4' energy: -64.972 flat angles P-C4'-P energy: -32.978 tors. eta vs tors. theta energy: -53.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -781.739773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.739773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.739773 (E_RNA) where: Base-Base interactions energy: -512.778 where: short stacking energy: -223.638 Base-Backbone interact. energy: -1.903 local terms energy: -267.058421 where: bonds (distance) C4'-P energy: -48.994 bonds (distance) P-C4' energy: -51.631 flat angles C4'-P-C4' energy: -59.000 flat angles P-C4'-P energy: -47.808 tors. eta vs tors. theta energy: -59.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -745.753919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.753919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.753919 (E_RNA) where: Base-Base interactions energy: -504.962 where: short stacking energy: -232.123 Base-Backbone interact. energy: -0.723 local terms energy: -240.068712 where: bonds (distance) C4'-P energy: -49.529 bonds (distance) P-C4' energy: -44.754 flat angles C4'-P-C4' energy: -60.773 flat angles P-C4'-P energy: -33.319 tors. eta vs tors. theta energy: -51.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -620.672966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.672966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.672966 (E_RNA) where: Base-Base interactions energy: -421.393 where: short stacking energy: -180.801 Base-Backbone interact. energy: -0.514 local terms energy: -198.766204 where: bonds (distance) C4'-P energy: -45.803 bonds (distance) P-C4' energy: -44.742 flat angles C4'-P-C4' energy: -55.458 flat angles P-C4'-P energy: -30.632 tors. eta vs tors. theta energy: -22.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -520.712694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.712694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.712694 (E_RNA) where: Base-Base interactions energy: -325.200 where: short stacking energy: -165.601 Base-Backbone interact. energy: 1.627 local terms energy: -197.139440 where: bonds (distance) C4'-P energy: -44.333 bonds (distance) P-C4' energy: -51.311 flat angles C4'-P-C4' energy: -59.936 flat angles P-C4'-P energy: -27.896 tors. eta vs tors. theta energy: -13.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1141.903070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.903070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.903070 (E_RNA) where: Base-Base interactions energy: -797.423 where: short stacking energy: -327.977 Base-Backbone interact. energy: -2.581 local terms energy: -341.899022 where: bonds (distance) C4'-P energy: -63.246 bonds (distance) P-C4' energy: -65.859 flat angles C4'-P-C4' energy: -76.125 flat angles P-C4'-P energy: -39.093 tors. eta vs tors. theta energy: -97.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1090.102897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.102897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.102897 (E_RNA) where: Base-Base interactions energy: -747.546 where: short stacking energy: -340.690 Base-Backbone interact. energy: -0.524 local terms energy: -342.033360 where: bonds (distance) C4'-P energy: -62.302 bonds (distance) P-C4' energy: -67.236 flat angles C4'-P-C4' energy: -69.932 flat angles P-C4'-P energy: -44.725 tors. eta vs tors. theta energy: -97.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1028.113011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.113011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.113011 (E_RNA) where: Base-Base interactions energy: -707.793 where: short stacking energy: -317.987 Base-Backbone interact. energy: -0.026 local terms energy: -320.293339 where: bonds (distance) C4'-P energy: -56.768 bonds (distance) P-C4' energy: -54.962 flat angles C4'-P-C4' energy: -70.095 flat angles P-C4'-P energy: -51.202 tors. eta vs tors. theta energy: -87.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1030.932346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.932346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.932346 (E_RNA) where: Base-Base interactions energy: -741.209 where: short stacking energy: -298.301 Base-Backbone interact. energy: -3.037 local terms energy: -286.686242 where: bonds (distance) C4'-P energy: -56.003 bonds (distance) P-C4' energy: -48.152 flat angles C4'-P-C4' energy: -67.192 flat angles P-C4'-P energy: -35.558 tors. eta vs tors. theta energy: -79.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1004.277049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.277049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.277049 (E_RNA) where: Base-Base interactions energy: -668.134 where: short stacking energy: -279.509 Base-Backbone interact. energy: -0.907 local terms energy: -335.235877 where: bonds (distance) C4'-P energy: -60.330 bonds (distance) P-C4' energy: -72.629 flat angles C4'-P-C4' energy: -67.407 flat angles P-C4'-P energy: -46.304 tors. eta vs tors. theta energy: -88.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -800.549211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.549211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.549211 (E_RNA) where: Base-Base interactions energy: -542.743 where: short stacking energy: -247.740 Base-Backbone interact. energy: 0.192 local terms energy: -257.998026 where: bonds (distance) C4'-P energy: -51.038 bonds (distance) P-C4' energy: -51.941 flat angles C4'-P-C4' energy: -61.365 flat angles P-C4'-P energy: -32.708 tors. eta vs tors. theta energy: -60.947 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: 4 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -784.461293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.461293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.461293 (E_RNA) where: Base-Base interactions energy: -528.975 where: short stacking energy: -240.535 Base-Backbone interact. energy: 1.815 local terms energy: -257.300757 where: bonds (distance) C4'-P energy: -49.737 bonds (distance) P-C4' energy: -55.611 flat angles C4'-P-C4' energy: -63.520 flat angles P-C4'-P energy: -32.922 tors. eta vs tors. theta energy: -55.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -732.032587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.032587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.032587 (E_RNA) where: Base-Base interactions energy: -481.164 where: short stacking energy: -212.009 Base-Backbone interact. energy: -0.413 local terms energy: -250.455900 where: bonds (distance) C4'-P energy: -49.227 bonds (distance) P-C4' energy: -60.858 flat angles C4'-P-C4' energy: -57.349 flat angles P-C4'-P energy: -35.439 tors. eta vs tors. theta energy: -47.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -607.992087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.992087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.992087 (E_RNA) where: Base-Base interactions energy: -391.974 where: short stacking energy: -211.978 Base-Backbone interact. energy: 8.876 local terms energy: -224.893975 where: bonds (distance) C4'-P energy: -45.160 bonds (distance) P-C4' energy: -44.866 flat angles C4'-P-C4' energy: -59.709 flat angles P-C4'-P energy: -35.075 tors. eta vs tors. theta energy: -40.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -539.984059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.984059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.984059 (E_RNA) where: Base-Base interactions energy: -344.828 where: short stacking energy: -161.252 Base-Backbone interact. energy: -1.581 local terms energy: -193.574948 where: bonds (distance) C4'-P energy: -51.401 bonds (distance) P-C4' energy: -47.531 flat angles C4'-P-C4' energy: -43.990 flat angles P-C4'-P energy: -27.919 tors. eta vs tors. theta energy: -22.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1148.371240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.371240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.371240 (E_RNA) where: Base-Base interactions energy: -787.753 where: short stacking energy: -337.157 Base-Backbone interact. energy: -2.039 local terms energy: -358.579701 where: bonds (distance) C4'-P energy: -72.493 bonds (distance) P-C4' energy: -71.052 flat angles C4'-P-C4' energy: -68.178 flat angles P-C4'-P energy: -56.247 tors. eta vs tors. theta energy: -90.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1052.944387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.944387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.944387 (E_RNA) where: Base-Base interactions energy: -717.054 where: short stacking energy: -335.601 Base-Backbone interact. energy: -4.160 local terms energy: -331.730229 where: bonds (distance) C4'-P energy: -56.217 bonds (distance) P-C4' energy: -65.940 flat angles C4'-P-C4' energy: -72.726 flat angles P-C4'-P energy: -48.416 tors. eta vs tors. theta energy: -88.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1042.598249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.598249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.598249 (E_RNA) where: Base-Base interactions energy: -744.072 where: short stacking energy: -313.632 Base-Backbone interact. energy: -0.585 local terms energy: -297.941018 where: bonds (distance) C4'-P energy: -53.471 bonds (distance) P-C4' energy: -52.330 flat angles C4'-P-C4' energy: -69.580 flat angles P-C4'-P energy: -37.620 tors. eta vs tors. theta energy: -84.941 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: 10 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -991.421548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.421548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.421548 (E_RNA) where: Base-Base interactions energy: -675.942 where: short stacking energy: -299.816 Base-Backbone interact. energy: -2.835 local terms energy: -312.644579 where: bonds (distance) C4'-P energy: -55.396 bonds (distance) P-C4' energy: -60.835 flat angles C4'-P-C4' energy: -67.961 flat angles P-C4'-P energy: -44.199 tors. eta vs tors. theta energy: -84.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1009.950420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.950420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.950420 (E_RNA) where: Base-Base interactions energy: -685.113 where: short stacking energy: -304.072 Base-Backbone interact. energy: 1.093 local terms energy: -325.930185 where: bonds (distance) C4'-P energy: -59.805 bonds (distance) P-C4' energy: -64.672 flat angles C4'-P-C4' energy: -66.867 flat angles P-C4'-P energy: -45.405 tors. eta vs tors. theta energy: -89.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -776.936003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.936003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.936003 (E_RNA) where: Base-Base interactions energy: -518.762 where: short stacking energy: -232.001 Base-Backbone interact. energy: -0.998 local terms energy: -257.176096 where: bonds (distance) C4'-P energy: -54.854 bonds (distance) P-C4' energy: -59.132 flat angles C4'-P-C4' energy: -62.479 flat angles P-C4'-P energy: -36.668 tors. eta vs tors. theta energy: -44.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -767.979433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.979433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.979433 (E_RNA) where: Base-Base interactions energy: -506.146 where: short stacking energy: -230.667 Base-Backbone interact. energy: -1.979 local terms energy: -259.854083 where: bonds (distance) C4'-P energy: -64.276 bonds (distance) P-C4' energy: -60.279 flat angles C4'-P-C4' energy: -53.287 flat angles P-C4'-P energy: -30.652 tors. eta vs tors. theta energy: -51.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -701.019001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.019001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.019001 (E_RNA) where: Base-Base interactions energy: -465.149 where: short stacking energy: -204.681 Base-Backbone interact. energy: 0.495 local terms energy: -236.365722 where: bonds (distance) C4'-P energy: -52.150 bonds (distance) P-C4' energy: -57.927 flat angles C4'-P-C4' energy: -51.405 flat angles P-C4'-P energy: -28.996 tors. eta vs tors. theta energy: -45.888 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: 9, replica: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -572.626755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.626755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.626755 (E_RNA) where: Base-Base interactions energy: -351.743 where: short stacking energy: -149.146 Base-Backbone interact. energy: -0.160 local terms energy: -220.723820 where: bonds (distance) C4'-P energy: -53.101 bonds (distance) P-C4' energy: -58.595 flat angles C4'-P-C4' energy: -57.466 flat angles P-C4'-P energy: -30.401 tors. eta vs tors. theta energy: -21.161 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: 2 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -504.554514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.554514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.554514 (E_RNA) where: Base-Base interactions energy: -316.223 where: short stacking energy: -143.773 Base-Backbone interact. energy: 1.050 local terms energy: -189.381540 where: bonds (distance) C4'-P energy: -42.327 bonds (distance) P-C4' energy: -41.816 flat angles C4'-P-C4' energy: -59.982 flat angles P-C4'-P energy: -29.247 tors. eta vs tors. theta energy: -16.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1137.227285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.227285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.227285 (E_RNA) where: Base-Base interactions energy: -803.547 where: short stacking energy: -342.512 Base-Backbone interact. energy: -1.540 local terms energy: -332.140235 where: bonds (distance) C4'-P energy: -55.502 bonds (distance) P-C4' energy: -60.752 flat angles C4'-P-C4' energy: -68.347 flat angles P-C4'-P energy: -51.997 tors. eta vs tors. theta energy: -95.542 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: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1034.490417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.490417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.490417 (E_RNA) where: Base-Base interactions energy: -713.480 where: short stacking energy: -294.883 Base-Backbone interact. energy: -2.661 local terms energy: -318.349498 where: bonds (distance) C4'-P energy: -64.177 bonds (distance) P-C4' energy: -71.115 flat angles C4'-P-C4' energy: -67.629 flat angles P-C4'-P energy: -40.041 tors. eta vs tors. theta energy: -75.388 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: 3, replica: 1 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1054.626952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.626952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.626952 (E_RNA) where: Base-Base interactions energy: -730.246 where: short stacking energy: -326.520 Base-Backbone interact. energy: -0.719 local terms energy: -323.661705 where: bonds (distance) C4'-P energy: -62.340 bonds (distance) P-C4' energy: -54.019 flat angles C4'-P-C4' energy: -74.150 flat angles P-C4'-P energy: -40.302 tors. eta vs tors. theta energy: -92.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1034.581690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.581690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.581690 (E_RNA) where: Base-Base interactions energy: -718.551 where: short stacking energy: -314.442 Base-Backbone interact. energy: -1.139 local terms energy: -314.891423 where: bonds (distance) C4'-P energy: -52.324 bonds (distance) P-C4' energy: -62.813 flat angles C4'-P-C4' energy: -68.669 flat angles P-C4'-P energy: -42.345 tors. eta vs tors. theta energy: -88.740 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: 10 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -944.050320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.050320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.050320 (E_RNA) where: Base-Base interactions energy: -652.234 where: short stacking energy: -284.195 Base-Backbone interact. energy: 0.335 local terms energy: -292.151431 where: bonds (distance) C4'-P energy: -46.714 bonds (distance) P-C4' energy: -59.777 flat angles C4'-P-C4' energy: -66.489 flat angles P-C4'-P energy: -47.893 tors. eta vs tors. theta energy: -71.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -799.752564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.752564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.752564 (E_RNA) where: Base-Base interactions energy: -538.891 where: short stacking energy: -247.331 Base-Backbone interact. energy: -1.624 local terms energy: -259.238293 where: bonds (distance) C4'-P energy: -47.165 bonds (distance) P-C4' energy: -53.842 flat angles C4'-P-C4' energy: -67.889 flat angles P-C4'-P energy: -42.942 tors. eta vs tors. theta energy: -47.402 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: 3 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -790.111221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.111221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.111221 (E_RNA) where: Base-Base interactions energy: -523.615 where: short stacking energy: -242.217 Base-Backbone interact. energy: 1.442 local terms energy: -267.937567 where: bonds (distance) C4'-P energy: -52.499 bonds (distance) P-C4' energy: -50.905 flat angles C4'-P-C4' energy: -70.205 flat angles P-C4'-P energy: -40.564 tors. eta vs tors. theta energy: -53.764 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: 4 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -706.770087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.770087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.770087 (E_RNA) where: Base-Base interactions energy: -447.670 where: short stacking energy: -208.715 Base-Backbone interact. energy: 1.189 local terms energy: -260.289579 where: bonds (distance) C4'-P energy: -55.168 bonds (distance) P-C4' energy: -59.791 flat angles C4'-P-C4' energy: -52.358 flat angles P-C4'-P energy: -36.148 tors. eta vs tors. theta energy: -56.824 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: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -615.893989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.893989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.893989 (E_RNA) where: Base-Base interactions energy: -393.762 where: short stacking energy: -186.950 Base-Backbone interact. energy: 1.261 local terms energy: -223.392586 where: bonds (distance) C4'-P energy: -52.273 bonds (distance) P-C4' energy: -59.579 flat angles C4'-P-C4' energy: -41.931 flat angles P-C4'-P energy: -32.017 tors. eta vs tors. theta energy: -37.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -519.166103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.166103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.166103 (E_RNA) where: Base-Base interactions energy: -311.539 where: short stacking energy: -136.068 Base-Backbone interact. energy: -2.566 local terms energy: -205.060807 where: bonds (distance) C4'-P energy: -60.521 bonds (distance) P-C4' energy: -53.507 flat angles C4'-P-C4' energy: -36.006 flat angles P-C4'-P energy: -35.224 tors. eta vs tors. theta energy: -19.803 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: 6 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1152.796003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.796003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.796003 (E_RNA) where: Base-Base interactions energy: -806.366 where: short stacking energy: -348.489 Base-Backbone interact. energy: -2.204 local terms energy: -344.225416 where: bonds (distance) C4'-P energy: -52.670 bonds (distance) P-C4' energy: -70.916 flat angles C4'-P-C4' energy: -73.685 flat angles P-C4'-P energy: -52.025 tors. eta vs tors. theta energy: -94.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1076.746276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.746276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.746276 (E_RNA) where: Base-Base interactions energy: -749.031 where: short stacking energy: -329.410 Base-Backbone interact. energy: -0.465 local terms energy: -327.250540 where: bonds (distance) C4'-P energy: -63.697 bonds (distance) P-C4' energy: -57.458 flat angles C4'-P-C4' energy: -73.357 flat angles P-C4'-P energy: -46.723 tors. eta vs tors. theta energy: -86.016 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: 3, replica: 1 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1074.644036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.644036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.644036 (E_RNA) where: Base-Base interactions energy: -749.525 where: short stacking energy: -327.132 Base-Backbone interact. energy: 1.508 local terms energy: -326.626553 where: bonds (distance) C4'-P energy: -59.952 bonds (distance) P-C4' energy: -63.330 flat angles C4'-P-C4' energy: -70.974 flat angles P-C4'-P energy: -47.073 tors. eta vs tors. theta energy: -85.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1016.115772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.115772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.115772 (E_RNA) where: Base-Base interactions energy: -743.127 where: short stacking energy: -304.040 Base-Backbone interact. energy: -1.568 local terms energy: -271.420199 where: bonds (distance) C4'-P energy: -49.594 bonds (distance) P-C4' energy: -47.399 flat angles C4'-P-C4' energy: -61.448 flat angles P-C4'-P energy: -36.041 tors. eta vs tors. theta energy: -76.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -968.946189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.946189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.946189 (E_RNA) where: Base-Base interactions energy: -673.277 where: short stacking energy: -300.522 Base-Backbone interact. energy: -2.419 local terms energy: -293.250763 where: bonds (distance) C4'-P energy: -60.653 bonds (distance) P-C4' energy: -61.738 flat angles C4'-P-C4' energy: -62.927 flat angles P-C4'-P energy: -39.444 tors. eta vs tors. theta energy: -68.489 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: 8 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -788.383764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.383764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.383764 (E_RNA) where: Base-Base interactions energy: -514.337 where: short stacking energy: -234.343 Base-Backbone interact. energy: 0.188 local terms energy: -274.234736 where: bonds (distance) C4'-P energy: -48.911 bonds (distance) P-C4' energy: -64.061 flat angles C4'-P-C4' energy: -64.592 flat angles P-C4'-P energy: -42.046 tors. eta vs tors. theta energy: -54.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -744.059770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.059770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.059770 (E_RNA) where: Base-Base interactions energy: -510.143 where: short stacking energy: -217.883 Base-Backbone interact. energy: -0.852 local terms energy: -233.065039 where: bonds (distance) C4'-P energy: -55.259 bonds (distance) P-C4' energy: -33.271 flat angles C4'-P-C4' energy: -60.705 flat angles P-C4'-P energy: -38.405 tors. eta vs tors. theta energy: -45.425 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: 4 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -730.201384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.201384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.201384 (E_RNA) where: Base-Base interactions energy: -457.263 where: short stacking energy: -214.601 Base-Backbone interact. energy: -1.924 local terms energy: -271.014949 where: bonds (distance) C4'-P energy: -60.291 bonds (distance) P-C4' energy: -57.904 flat angles C4'-P-C4' energy: -52.854 flat angles P-C4'-P energy: -35.769 tors. eta vs tors. theta energy: -64.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -584.645700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.645700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.645700 (E_RNA) where: Base-Base interactions energy: -374.730 where: short stacking energy: -180.550 Base-Backbone interact. energy: -0.991 local terms energy: -208.924251 where: bonds (distance) C4'-P energy: -44.757 bonds (distance) P-C4' energy: -54.335 flat angles C4'-P-C4' energy: -45.927 flat angles P-C4'-P energy: -37.537 tors. eta vs tors. theta energy: -26.369 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: 2 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -508.726165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.726165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.726165 (E_RNA) where: Base-Base interactions energy: -321.701 where: short stacking energy: -166.843 Base-Backbone interact. energy: 3.546 local terms energy: -190.571075 where: bonds (distance) C4'-P energy: -52.309 bonds (distance) P-C4' energy: -42.633 flat angles C4'-P-C4' energy: -49.190 flat angles P-C4'-P energy: -32.406 tors. eta vs tors. theta energy: -14.033 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: 6 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1163.670344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.670344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.670344 (E_RNA) where: Base-Base interactions energy: -800.516 where: short stacking energy: -340.929 Base-Backbone interact. energy: -3.267 local terms energy: -359.887054 where: bonds (distance) C4'-P energy: -67.225 bonds (distance) P-C4' energy: -70.510 flat angles C4'-P-C4' energy: -77.890 flat angles P-C4'-P energy: -45.151 tors. eta vs tors. theta energy: -99.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1084.017816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.017816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.017816 (E_RNA) where: Base-Base interactions energy: -759.272 where: short stacking energy: -324.596 Base-Backbone interact. energy: -0.235 local terms energy: -324.510747 where: bonds (distance) C4'-P energy: -58.055 bonds (distance) P-C4' energy: -65.374 flat angles C4'-P-C4' energy: -71.454 flat angles P-C4'-P energy: -48.229 tors. eta vs tors. theta energy: -81.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1034.570248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.570248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.570248 (E_RNA) where: Base-Base interactions energy: -732.631 where: short stacking energy: -311.471 Base-Backbone interact. energy: 2.126 local terms energy: -304.064991 where: bonds (distance) C4'-P energy: -57.047 bonds (distance) P-C4' energy: -61.826 flat angles C4'-P-C4' energy: -68.603 flat angles P-C4'-P energy: -33.617 tors. eta vs tors. theta energy: -82.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -995.665152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.665152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.665152 (E_RNA) where: Base-Base interactions energy: -681.462 where: short stacking energy: -319.649 Base-Backbone interact. energy: -1.120 local terms energy: -313.083465 where: bonds (distance) C4'-P energy: -58.730 bonds (distance) P-C4' energy: -63.304 flat angles C4'-P-C4' energy: -63.690 flat angles P-C4'-P energy: -44.555 tors. eta vs tors. theta energy: -82.804 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: 83 Temperature: 1.100000 Total energy: -985.683289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.683289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.683289 (E_RNA) where: Base-Base interactions energy: -670.218 where: short stacking energy: -283.449 Base-Backbone interact. energy: -0.957 local terms energy: -314.507936 where: bonds (distance) C4'-P energy: -68.397 bonds (distance) P-C4' energy: -56.235 flat angles C4'-P-C4' energy: -72.962 flat angles P-C4'-P energy: -35.760 tors. eta vs tors. theta energy: -81.154 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: 3 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -838.698046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.698046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.698046 (E_RNA) where: Base-Base interactions energy: -565.179 where: short stacking energy: -253.604 Base-Backbone interact. energy: -1.828 local terms energy: -271.691079 where: bonds (distance) C4'-P energy: -55.886 bonds (distance) P-C4' energy: -56.975 flat angles C4'-P-C4' energy: -62.407 flat angles P-C4'-P energy: -37.573 tors. eta vs tors. theta energy: -58.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -771.732980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.732980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.732980 (E_RNA) where: Base-Base interactions energy: -513.980 where: short stacking energy: -232.081 Base-Backbone interact. energy: -0.332 local terms energy: -257.421692 where: bonds (distance) C4'-P energy: -49.488 bonds (distance) P-C4' energy: -53.913 flat angles C4'-P-C4' energy: -56.539 flat angles P-C4'-P energy: -48.823 tors. eta vs tors. theta energy: -48.659 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: 4 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -717.809307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.809307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.809307 (E_RNA) where: Base-Base interactions energy: -478.205 where: short stacking energy: -211.699 Base-Backbone interact. energy: -1.182 local terms energy: -238.422456 where: bonds (distance) C4'-P energy: -46.476 bonds (distance) P-C4' energy: -49.533 flat angles C4'-P-C4' energy: -57.348 flat angles P-C4'-P energy: -40.351 tors. eta vs tors. theta energy: -44.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -607.885925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.885925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.885925 (E_RNA) where: Base-Base interactions energy: -403.779 where: short stacking energy: -197.696 Base-Backbone interact. energy: -0.019 local terms energy: -204.088270 where: bonds (distance) C4'-P energy: -55.346 bonds (distance) P-C4' energy: -45.607 flat angles C4'-P-C4' energy: -44.149 flat angles P-C4'-P energy: -29.943 tors. eta vs tors. theta energy: -29.044 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: 2 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -525.069715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.069715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.069715 (E_RNA) where: Base-Base interactions energy: -327.222 where: short stacking energy: -155.567 Base-Backbone interact. energy: 0.414 local terms energy: -198.261696 where: bonds (distance) C4'-P energy: -47.800 bonds (distance) P-C4' energy: -56.934 flat angles C4'-P-C4' energy: -45.044 flat angles P-C4'-P energy: -37.758 tors. eta vs tors. theta energy: -10.726 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: 1, replica: 6 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1152.219949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.219949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.219949 (E_RNA) where: Base-Base interactions energy: -815.587 where: short stacking energy: -335.686 Base-Backbone interact. energy: -2.900 local terms energy: -333.733038 where: bonds (distance) C4'-P energy: -60.546 bonds (distance) P-C4' energy: -58.342 flat angles C4'-P-C4' energy: -70.670 flat angles P-C4'-P energy: -51.359 tors. eta vs tors. theta energy: -92.816 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: 1 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1100.797377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.797377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.797377 (E_RNA) where: Base-Base interactions energy: -757.742 where: short stacking energy: -322.158 Base-Backbone interact. energy: -0.391 local terms energy: -342.664963 where: bonds (distance) C4'-P energy: -71.335 bonds (distance) P-C4' energy: -68.245 flat angles C4'-P-C4' energy: -68.653 flat angles P-C4'-P energy: -42.983 tors. eta vs tors. theta energy: -91.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1024.388053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.388053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.388053 (E_RNA) where: Base-Base interactions energy: -713.170 where: short stacking energy: -338.878 Base-Backbone interact. energy: -1.435 local terms energy: -309.783052 where: bonds (distance) C4'-P energy: -60.603 bonds (distance) P-C4' energy: -56.198 flat angles C4'-P-C4' energy: -62.604 flat angles P-C4'-P energy: -47.475 tors. eta vs tors. theta energy: -82.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -981.067993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.067993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.067993 (E_RNA) where: Base-Base interactions energy: -672.710 where: short stacking energy: -303.374 Base-Backbone interact. energy: -2.526 local terms energy: -305.831965 where: bonds (distance) C4'-P energy: -64.742 bonds (distance) P-C4' energy: -49.991 flat angles C4'-P-C4' energy: -61.561 flat angles P-C4'-P energy: -46.926 tors. eta vs tors. theta energy: -82.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -956.783831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.783831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.783831 (E_RNA) where: Base-Base interactions energy: -644.849 where: short stacking energy: -273.322 Base-Backbone interact. energy: -0.372 local terms energy: -311.562917 where: bonds (distance) C4'-P energy: -63.944 bonds (distance) P-C4' energy: -65.608 flat angles C4'-P-C4' energy: -71.533 flat angles P-C4'-P energy: -35.638 tors. eta vs tors. theta energy: -74.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -882.270442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.270442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.270442 (E_RNA) where: Base-Base interactions energy: -601.413 where: short stacking energy: -264.503 Base-Backbone interact. energy: -0.224 local terms energy: -280.633117 where: bonds (distance) C4'-P energy: -51.596 bonds (distance) P-C4' energy: -65.281 flat angles C4'-P-C4' energy: -60.674 flat angles P-C4'-P energy: -38.691 tors. eta vs tors. theta energy: -64.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -771.463944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.463944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.463944 (E_RNA) where: Base-Base interactions energy: -505.966 where: short stacking energy: -225.182 Base-Backbone interact. energy: -1.648 local terms energy: -263.849733 where: bonds (distance) C4'-P energy: -52.193 bonds (distance) P-C4' energy: -58.580 flat angles C4'-P-C4' energy: -61.211 flat angles P-C4'-P energy: -41.612 tors. eta vs tors. theta energy: -50.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -732.990467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.990467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.990467 (E_RNA) where: Base-Base interactions energy: -491.454 where: short stacking energy: -221.054 Base-Backbone interact. energy: -0.802 local terms energy: -240.734016 where: bonds (distance) C4'-P energy: -60.967 bonds (distance) P-C4' energy: -51.760 flat angles C4'-P-C4' energy: -55.980 flat angles P-C4'-P energy: -31.669 tors. eta vs tors. theta energy: -40.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -629.680172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.680172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.680172 (E_RNA) where: Base-Base interactions energy: -417.799 where: short stacking energy: -193.035 Base-Backbone interact. energy: 0.855 local terms energy: -212.736028 where: bonds (distance) C4'-P energy: -47.280 bonds (distance) P-C4' energy: -51.480 flat angles C4'-P-C4' energy: -39.697 flat angles P-C4'-P energy: -41.160 tors. eta vs tors. theta energy: -33.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -532.722668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.722668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.722668 (E_RNA) where: Base-Base interactions energy: -305.659 where: short stacking energy: -154.948 Base-Backbone interact. energy: -1.955 local terms energy: -225.109005 where: bonds (distance) C4'-P energy: -69.237 bonds (distance) P-C4' energy: -52.387 flat angles C4'-P-C4' energy: -49.955 flat angles P-C4'-P energy: -32.305 tors. eta vs tors. theta energy: -21.225 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: 1, replica: 6 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1144.190870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.190870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.190870 (E_RNA) where: Base-Base interactions energy: -801.102 where: short stacking energy: -347.670 Base-Backbone interact. energy: -1.425 local terms energy: -341.663472 where: bonds (distance) C4'-P energy: -66.482 bonds (distance) P-C4' energy: -62.795 flat angles C4'-P-C4' energy: -67.873 flat angles P-C4'-P energy: -46.189 tors. eta vs tors. theta energy: -98.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1109.716971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.716971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.716971 (E_RNA) where: Base-Base interactions energy: -759.353 where: short stacking energy: -326.094 Base-Backbone interact. energy: -2.322 local terms energy: -348.042045 where: bonds (distance) C4'-P energy: -61.820 bonds (distance) P-C4' energy: -76.261 flat angles C4'-P-C4' energy: -70.223 flat angles P-C4'-P energy: -53.998 tors. eta vs tors. theta energy: -85.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1015.535893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.535893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.535893 (E_RNA) where: Base-Base interactions energy: -712.435 where: short stacking energy: -291.684 Base-Backbone interact. energy: -0.874 local terms energy: -302.226068 where: bonds (distance) C4'-P energy: -60.333 bonds (distance) P-C4' energy: -65.202 flat angles C4'-P-C4' energy: -63.142 flat angles P-C4'-P energy: -44.668 tors. eta vs tors. theta energy: -68.882 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: 7 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -978.726325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.726325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.726325 (E_RNA) where: Base-Base interactions energy: -681.810 where: short stacking energy: -302.311 Base-Backbone interact. energy: -1.406 local terms energy: -295.509835 where: bonds (distance) C4'-P energy: -54.219 bonds (distance) P-C4' energy: -64.057 flat angles C4'-P-C4' energy: -66.218 flat angles P-C4'-P energy: -31.407 tors. eta vs tors. theta energy: -79.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -954.469674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.469674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.469674 (E_RNA) where: Base-Base interactions energy: -641.461 where: short stacking energy: -287.134 Base-Backbone interact. energy: -3.014 local terms energy: -309.994970 where: bonds (distance) C4'-P energy: -51.570 bonds (distance) P-C4' energy: -65.877 flat angles C4'-P-C4' energy: -68.992 flat angles P-C4'-P energy: -45.177 tors. eta vs tors. theta energy: -78.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -891.564556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.564556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.564556 (E_RNA) where: Base-Base interactions energy: -608.368 where: short stacking energy: -293.997 Base-Backbone interact. energy: 2.162 local terms energy: -285.359203 where: bonds (distance) C4'-P energy: -54.352 bonds (distance) P-C4' energy: -52.115 flat angles C4'-P-C4' energy: -58.225 flat angles P-C4'-P energy: -47.134 tors. eta vs tors. theta energy: -73.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -707.981333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.981333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.981333 (E_RNA) where: Base-Base interactions energy: -455.204 where: short stacking energy: -217.178 Base-Backbone interact. energy: -1.378 local terms energy: -251.399723 where: bonds (distance) C4'-P energy: -49.753 bonds (distance) P-C4' energy: -51.716 flat angles C4'-P-C4' energy: -68.110 flat angles P-C4'-P energy: -37.495 tors. eta vs tors. theta energy: -44.325 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: 8, replica: 4 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -759.570343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.570343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.570343 (E_RNA) where: Base-Base interactions energy: -508.111 where: short stacking energy: -214.476 Base-Backbone interact. energy: -1.434 local terms energy: -250.025480 where: bonds (distance) C4'-P energy: -51.553 bonds (distance) P-C4' energy: -64.772 flat angles C4'-P-C4' energy: -54.711 flat angles P-C4'-P energy: -26.295 tors. eta vs tors. theta energy: -52.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -643.218305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.218305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.218305 (E_RNA) where: Base-Base interactions energy: -421.701 where: short stacking energy: -164.816 Base-Backbone interact. energy: -0.137 local terms energy: -221.379658 where: bonds (distance) C4'-P energy: -50.756 bonds (distance) P-C4' energy: -56.361 flat angles C4'-P-C4' energy: -51.300 flat angles P-C4'-P energy: -35.700 tors. eta vs tors. theta energy: -27.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -529.278056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.278056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.278056 (E_RNA) where: Base-Base interactions energy: -334.335 where: short stacking energy: -151.635 Base-Backbone interact. energy: -0.933 local terms energy: -194.010526 where: bonds (distance) C4'-P energy: -56.908 bonds (distance) P-C4' energy: -42.545 flat angles C4'-P-C4' energy: -42.369 flat angles P-C4'-P energy: -30.812 tors. eta vs tors. theta energy: -21.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1156.922638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.922638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.922638 (E_RNA) where: Base-Base interactions energy: -802.151 where: short stacking energy: -333.928 Base-Backbone interact. energy: 1.168 local terms energy: -355.939730 where: bonds (distance) C4'-P energy: -66.302 bonds (distance) P-C4' energy: -67.208 flat angles C4'-P-C4' energy: -77.974 flat angles P-C4'-P energy: -48.519 tors. eta vs tors. theta energy: -95.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1085.311180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.311180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.311180 (E_RNA) where: Base-Base interactions energy: -756.553 where: short stacking energy: -333.283 Base-Backbone interact. energy: -1.101 local terms energy: -327.657795 where: bonds (distance) C4'-P energy: -66.348 bonds (distance) P-C4' energy: -62.790 flat angles C4'-P-C4' energy: -70.941 flat angles P-C4'-P energy: -37.586 tors. eta vs tors. theta energy: -89.992 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: 5 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1011.107745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.107745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.107745 (E_RNA) where: Base-Base interactions energy: -702.635 where: short stacking energy: -325.254 Base-Backbone interact. energy: -1.311 local terms energy: -307.161348 where: bonds (distance) C4'-P energy: -40.086 bonds (distance) P-C4' energy: -62.592 flat angles C4'-P-C4' energy: -71.811 flat angles P-C4'-P energy: -44.576 tors. eta vs tors. theta energy: -88.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1010.746562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.746562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.746562 (E_RNA) where: Base-Base interactions energy: -721.347 where: short stacking energy: -332.596 Base-Backbone interact. energy: -2.170 local terms energy: -287.228989 where: bonds (distance) C4'-P energy: -50.379 bonds (distance) P-C4' energy: -56.897 flat angles C4'-P-C4' energy: -65.951 flat angles P-C4'-P energy: -28.132 tors. eta vs tors. theta energy: -85.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -881.521890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.521890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.521890 (E_RNA) where: Base-Base interactions energy: -587.504 where: short stacking energy: -258.751 Base-Backbone interact. energy: -0.263 local terms energy: -293.754745 where: bonds (distance) C4'-P energy: -61.943 bonds (distance) P-C4' energy: -63.630 flat angles C4'-P-C4' energy: -70.439 flat angles P-C4'-P energy: -41.949 tors. eta vs tors. theta energy: -55.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -942.413708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.413708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.413708 (E_RNA) where: Base-Base interactions energy: -649.642 where: short stacking energy: -288.958 Base-Backbone interact. energy: -1.951 local terms energy: -290.819877 where: bonds (distance) C4'-P energy: -61.508 bonds (distance) P-C4' energy: -51.337 flat angles C4'-P-C4' energy: -57.806 flat angles P-C4'-P energy: -43.862 tors. eta vs tors. theta energy: -76.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -725.391583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.391583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.391583 (E_RNA) where: Base-Base interactions energy: -461.454 where: short stacking energy: -237.074 Base-Backbone interact. energy: -1.904 local terms energy: -262.034201 where: bonds (distance) C4'-P energy: -45.397 bonds (distance) P-C4' energy: -62.101 flat angles C4'-P-C4' energy: -59.210 flat angles P-C4'-P energy: -36.241 tors. eta vs tors. theta energy: -59.086 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: 8, replica: 4 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -738.071467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.071467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.071467 (E_RNA) where: Base-Base interactions energy: -496.686 where: short stacking energy: -215.519 Base-Backbone interact. energy: 0.394 local terms energy: -241.779517 where: bonds (distance) C4'-P energy: -50.270 bonds (distance) P-C4' energy: -55.973 flat angles C4'-P-C4' energy: -63.470 flat angles P-C4'-P energy: -26.270 tors. eta vs tors. theta energy: -45.796 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: 2 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -622.476871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.476871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.476871 (E_RNA) where: Base-Base interactions energy: -383.493 where: short stacking energy: -204.425 Base-Backbone interact. energy: -1.389 local terms energy: -237.594452 where: bonds (distance) C4'-P energy: -55.859 bonds (distance) P-C4' energy: -62.791 flat angles C4'-P-C4' energy: -44.975 flat angles P-C4'-P energy: -34.503 tors. eta vs tors. theta energy: -39.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -626.726058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.726058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.726058 (E_RNA) where: Base-Base interactions energy: -402.369 where: short stacking energy: -180.586 Base-Backbone interact. energy: -0.269 local terms energy: -224.088032 where: bonds (distance) C4'-P energy: -62.533 bonds (distance) P-C4' energy: -50.641 flat angles C4'-P-C4' energy: -39.445 flat angles P-C4'-P energy: -39.024 tors. eta vs tors. theta energy: -32.445 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: 6 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1151.523390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.523390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.523390 (E_RNA) where: Base-Base interactions energy: -793.731 where: short stacking energy: -330.337 Base-Backbone interact. energy: -2.676 local terms energy: -355.116165 where: bonds (distance) C4'-P energy: -65.833 bonds (distance) P-C4' energy: -60.670 flat angles C4'-P-C4' energy: -75.655 flat angles P-C4'-P energy: -58.620 tors. eta vs tors. theta energy: -94.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1103.047258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.047258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.047258 (E_RNA) where: Base-Base interactions energy: -765.832 where: short stacking energy: -331.528 Base-Backbone interact. energy: -2.049 local terms energy: -335.166366 where: bonds (distance) C4'-P energy: -61.445 bonds (distance) P-C4' energy: -67.019 flat angles C4'-P-C4' energy: -72.253 flat angles P-C4'-P energy: -48.830 tors. eta vs tors. theta energy: -85.619 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: 5 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1025.246618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.246618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.246618 (E_RNA) where: Base-Base interactions energy: -699.817 where: short stacking energy: -307.922 Base-Backbone interact. energy: -1.899 local terms energy: -323.530032 where: bonds (distance) C4'-P energy: -55.805 bonds (distance) P-C4' energy: -66.051 flat angles C4'-P-C4' energy: -70.162 flat angles P-C4'-P energy: -54.346 tors. eta vs tors. theta energy: -77.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1026.127143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.127143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.127143 (E_RNA) where: Base-Base interactions energy: -720.853 where: short stacking energy: -312.782 Base-Backbone interact. energy: -2.937 local terms energy: -302.337229 where: bonds (distance) C4'-P energy: -53.443 bonds (distance) P-C4' energy: -61.422 flat angles C4'-P-C4' energy: -64.357 flat angles P-C4'-P energy: -40.663 tors. eta vs tors. theta energy: -82.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -901.011192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.011192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.011192 (E_RNA) where: Base-Base interactions energy: -628.978 where: short stacking energy: -287.357 Base-Backbone interact. energy: 1.405 local terms energy: -273.438858 where: bonds (distance) C4'-P energy: -42.647 bonds (distance) P-C4' energy: -63.929 flat angles C4'-P-C4' energy: -61.055 flat angles P-C4'-P energy: -36.066 tors. eta vs tors. theta energy: -69.742 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: 10 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -946.192422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.192422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.192422 (E_RNA) where: Base-Base interactions energy: -665.260 where: short stacking energy: -275.087 Base-Backbone interact. energy: -1.508 local terms energy: -279.424632 where: bonds (distance) C4'-P energy: -47.767 bonds (distance) P-C4' energy: -53.391 flat angles C4'-P-C4' energy: -71.013 flat angles P-C4'-P energy: -41.444 tors. eta vs tors. theta energy: -65.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -727.685300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.685300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.685300 (E_RNA) where: Base-Base interactions energy: -457.928 where: short stacking energy: -236.375 Base-Backbone interact. energy: 0.220 local terms energy: -269.977393 where: bonds (distance) C4'-P energy: -54.290 bonds (distance) P-C4' energy: -59.478 flat angles C4'-P-C4' energy: -64.945 flat angles P-C4'-P energy: -35.838 tors. eta vs tors. theta energy: -55.426 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: 8, replica: 4 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -772.051867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.051867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.051867 (E_RNA) where: Base-Base interactions energy: -516.078 where: short stacking energy: -240.238 Base-Backbone interact. energy: -0.592 local terms energy: -255.382404 where: bonds (distance) C4'-P energy: -46.146 bonds (distance) P-C4' energy: -56.201 flat angles C4'-P-C4' energy: -63.248 flat angles P-C4'-P energy: -32.422 tors. eta vs tors. theta energy: -57.366 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: 9, replica: 2 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -635.831996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.831996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.831996 (E_RNA) where: Base-Base interactions energy: -394.501 where: short stacking energy: -181.287 Base-Backbone interact. energy: -1.724 local terms energy: -239.606312 where: bonds (distance) C4'-P energy: -65.428 bonds (distance) P-C4' energy: -49.125 flat angles C4'-P-C4' energy: -61.467 flat angles P-C4'-P energy: -36.041 tors. eta vs tors. theta energy: -27.545 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: 87 Temperature: 1.350000 Total energy: -539.747785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.747785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.747785 (E_RNA) where: Base-Base interactions energy: -335.606 where: short stacking energy: -154.655 Base-Backbone interact. energy: 4.767 local terms energy: -208.908707 where: bonds (distance) C4'-P energy: -46.748 bonds (distance) P-C4' energy: -52.953 flat angles C4'-P-C4' energy: -43.215 flat angles P-C4'-P energy: -39.125 tors. eta vs tors. theta energy: -26.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1118.580957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.580957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.580957 (E_RNA) where: Base-Base interactions energy: -790.185 where: short stacking energy: -334.931 Base-Backbone interact. energy: -1.047 local terms energy: -327.348461 where: bonds (distance) C4'-P energy: -63.338 bonds (distance) P-C4' energy: -58.023 flat angles C4'-P-C4' energy: -76.792 flat angles P-C4'-P energy: -47.122 tors. eta vs tors. theta energy: -82.073 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: 88 Temperature: 0.950000 Total energy: -1126.443866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.443866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.443866 (E_RNA) where: Base-Base interactions energy: -777.076 where: short stacking energy: -325.263 Base-Backbone interact. energy: -2.446 local terms energy: -346.921219 where: bonds (distance) C4'-P energy: -66.307 bonds (distance) P-C4' energy: -63.874 flat angles C4'-P-C4' energy: -70.909 flat angles P-C4'-P energy: -54.599 tors. eta vs tors. theta energy: -91.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1028.166371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.166371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.166371 (E_RNA) where: Base-Base interactions energy: -712.464 where: short stacking energy: -324.938 Base-Backbone interact. energy: 0.523 local terms energy: -316.225613 where: bonds (distance) C4'-P energy: -48.961 bonds (distance) P-C4' energy: -62.057 flat angles C4'-P-C4' energy: -72.799 flat angles P-C4'-P energy: -49.314 tors. eta vs tors. theta energy: -83.095 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: 4, replica: 7 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1014.171834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.171834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.171834 (E_RNA) where: Base-Base interactions energy: -719.920 where: short stacking energy: -302.953 Base-Backbone interact. energy: -1.340 local terms energy: -292.911871 where: bonds (distance) C4'-P energy: -45.104 bonds (distance) P-C4' energy: -54.339 flat angles C4'-P-C4' energy: -64.776 flat angles P-C4'-P energy: -40.977 tors. eta vs tors. theta energy: -87.715 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: 10 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -993.211296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.211296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.211296 (E_RNA) where: Base-Base interactions energy: -690.978 where: short stacking energy: -295.447 Base-Backbone interact. energy: -0.131 local terms energy: -302.102347 where: bonds (distance) C4'-P energy: -59.289 bonds (distance) P-C4' energy: -57.116 flat angles C4'-P-C4' energy: -65.587 flat angles P-C4'-P energy: -39.717 tors. eta vs tors. theta energy: -80.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -876.090232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.090232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.090232 (E_RNA) where: Base-Base interactions energy: -605.919 where: short stacking energy: -268.648 Base-Backbone interact. energy: 0.625 local terms energy: -270.796369 where: bonds (distance) C4'-P energy: -48.683 bonds (distance) P-C4' energy: -58.745 flat angles C4'-P-C4' energy: -56.269 flat angles P-C4'-P energy: -42.641 tors. eta vs tors. theta energy: -64.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -779.416470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.416470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.416470 (E_RNA) where: Base-Base interactions energy: -501.460 where: short stacking energy: -228.294 Base-Backbone interact. energy: -2.978 local terms energy: -274.977685 where: bonds (distance) C4'-P energy: -50.254 bonds (distance) P-C4' energy: -62.570 flat angles C4'-P-C4' energy: -62.666 flat angles P-C4'-P energy: -42.058 tors. eta vs tors. theta energy: -57.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -689.326863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.326863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.326863 (E_RNA) where: Base-Base interactions energy: -448.092 where: short stacking energy: -200.312 Base-Backbone interact. energy: -0.535 local terms energy: -240.700018 where: bonds (distance) C4'-P energy: -51.807 bonds (distance) P-C4' energy: -59.710 flat angles C4'-P-C4' energy: -53.305 flat angles P-C4'-P energy: -26.874 tors. eta vs tors. theta energy: -49.004 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: 2 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -635.295597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.295597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.295597 (E_RNA) where: Base-Base interactions energy: -404.430 where: short stacking energy: -192.946 Base-Backbone interact. energy: 1.751 local terms energy: -232.616687 where: bonds (distance) C4'-P energy: -54.786 bonds (distance) P-C4' energy: -59.026 flat angles C4'-P-C4' energy: -60.045 flat angles P-C4'-P energy: -24.298 tors. eta vs tors. theta energy: -34.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -592.602329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.602329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.602329 (E_RNA) where: Base-Base interactions energy: -383.846 where: short stacking energy: -184.653 Base-Backbone interact. energy: -2.567 local terms energy: -206.188552 where: bonds (distance) C4'-P energy: -53.347 bonds (distance) P-C4' energy: -55.106 flat angles C4'-P-C4' energy: -45.612 flat angles P-C4'-P energy: -23.605 tors. eta vs tors. theta energy: -28.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1128.825982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.825982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.825982 (E_RNA) where: Base-Base interactions energy: -783.465 where: short stacking energy: -350.982 Base-Backbone interact. energy: -0.935 local terms energy: -344.426152 where: bonds (distance) C4'-P energy: -63.078 bonds (distance) P-C4' energy: -61.624 flat angles C4'-P-C4' energy: -81.487 flat angles P-C4'-P energy: -44.534 tors. eta vs tors. theta energy: -93.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1131.100531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.100531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.100531 (E_RNA) where: Base-Base interactions energy: -797.761 where: short stacking energy: -340.008 Base-Backbone interact. energy: 0.166 local terms energy: -333.505750 where: bonds (distance) C4'-P energy: -59.688 bonds (distance) P-C4' energy: -61.966 flat angles C4'-P-C4' energy: -70.184 flat angles P-C4'-P energy: -55.252 tors. eta vs tors. theta energy: -86.415 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: 5 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1056.921402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.921402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.921402 (E_RNA) where: Base-Base interactions energy: -738.803 where: short stacking energy: -331.183 Base-Backbone interact. energy: -1.093 local terms energy: -317.025701 where: bonds (distance) C4'-P energy: -51.296 bonds (distance) P-C4' energy: -68.263 flat angles C4'-P-C4' energy: -71.199 flat angles P-C4'-P energy: -46.892 tors. eta vs tors. theta energy: -79.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1041.662350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.662350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.662350 (E_RNA) where: Base-Base interactions energy: -734.528 where: short stacking energy: -329.571 Base-Backbone interact. energy: -2.797 local terms energy: -304.337739 where: bonds (distance) C4'-P energy: -47.346 bonds (distance) P-C4' energy: -56.307 flat angles C4'-P-C4' energy: -62.764 flat angles P-C4'-P energy: -52.653 tors. eta vs tors. theta energy: -85.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1019.536526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.536526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.536526 (E_RNA) where: Base-Base interactions energy: -718.024 where: short stacking energy: -320.346 Base-Backbone interact. energy: -0.507 local terms energy: -301.006241 where: bonds (distance) C4'-P energy: -50.805 bonds (distance) P-C4' energy: -67.085 flat angles C4'-P-C4' energy: -59.355 flat angles P-C4'-P energy: -45.034 tors. eta vs tors. theta energy: -78.726 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: 6, replica: 3 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -837.313067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.313067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.313067 (E_RNA) where: Base-Base interactions energy: -551.383 where: short stacking energy: -251.567 Base-Backbone interact. energy: 2.066 local terms energy: -287.996068 where: bonds (distance) C4'-P energy: -57.958 bonds (distance) P-C4' energy: -66.975 flat angles C4'-P-C4' energy: -66.850 flat angles P-C4'-P energy: -33.261 tors. eta vs tors. theta energy: -62.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -778.964130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.964130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.964130 (E_RNA) where: Base-Base interactions energy: -491.023 where: short stacking energy: -228.230 Base-Backbone interact. energy: -0.162 local terms energy: -287.779375 where: bonds (distance) C4'-P energy: -52.281 bonds (distance) P-C4' energy: -65.400 flat angles C4'-P-C4' energy: -67.139 flat angles P-C4'-P energy: -35.853 tors. eta vs tors. theta energy: -67.106 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: 8, replica: 8 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -694.972198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.972198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.972198 (E_RNA) where: Base-Base interactions energy: -453.719 where: short stacking energy: -195.786 Base-Backbone interact. energy: -0.750 local terms energy: -240.502707 where: bonds (distance) C4'-P energy: -53.596 bonds (distance) P-C4' energy: -50.878 flat angles C4'-P-C4' energy: -46.604 flat angles P-C4'-P energy: -41.178 tors. eta vs tors. theta energy: -48.246 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: 2 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -626.304299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.304299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.304299 (E_RNA) where: Base-Base interactions energy: -391.521 where: short stacking energy: -197.677 Base-Backbone interact. energy: 0.496 local terms energy: -235.278387 where: bonds (distance) C4'-P energy: -48.286 bonds (distance) P-C4' energy: -55.266 flat angles C4'-P-C4' energy: -56.112 flat angles P-C4'-P energy: -37.320 tors. eta vs tors. theta energy: -38.295 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: 9 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -550.721023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.721023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.721023 (E_RNA) where: Base-Base interactions energy: -349.600 where: short stacking energy: -162.136 Base-Backbone interact. energy: 1.387 local terms energy: -202.507345 where: bonds (distance) C4'-P energy: -37.252 bonds (distance) P-C4' energy: -48.445 flat angles C4'-P-C4' energy: -53.526 flat angles P-C4'-P energy: -35.708 tors. eta vs tors. theta energy: -27.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1133.536952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.536952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.536952 (E_RNA) where: Base-Base interactions energy: -773.147 where: short stacking energy: -341.598 Base-Backbone interact. energy: -1.677 local terms energy: -358.713623 where: bonds (distance) C4'-P energy: -65.142 bonds (distance) P-C4' energy: -72.725 flat angles C4'-P-C4' energy: -75.065 flat angles P-C4'-P energy: -49.458 tors. eta vs tors. theta energy: -96.324 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: 90 Temperature: 0.950000 Total energy: -1146.673821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.673821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.673821 (E_RNA) where: Base-Base interactions energy: -801.974 where: short stacking energy: -331.466 Base-Backbone interact. energy: -2.367 local terms energy: -342.332323 where: bonds (distance) C4'-P energy: -57.449 bonds (distance) P-C4' energy: -64.959 flat angles C4'-P-C4' energy: -76.894 flat angles P-C4'-P energy: -51.145 tors. eta vs tors. theta energy: -91.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1026.515502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.515502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.515502 (E_RNA) where: Base-Base interactions energy: -723.819 where: short stacking energy: -318.409 Base-Backbone interact. energy: -0.125 local terms energy: -302.572053 where: bonds (distance) C4'-P energy: -61.415 bonds (distance) P-C4' energy: -57.667 flat angles C4'-P-C4' energy: -67.228 flat angles P-C4'-P energy: -39.285 tors. eta vs tors. theta energy: -76.976 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: 4, replica: 7 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1013.466808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.466808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.466808 (E_RNA) where: Base-Base interactions energy: -708.146 where: short stacking energy: -308.440 Base-Backbone interact. energy: -1.080 local terms energy: -304.240663 where: bonds (distance) C4'-P energy: -53.030 bonds (distance) P-C4' energy: -65.635 flat angles C4'-P-C4' energy: -61.387 flat angles P-C4'-P energy: -46.672 tors. eta vs tors. theta energy: -77.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1063.922840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.922840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.922840 (E_RNA) where: Base-Base interactions energy: -731.967 where: short stacking energy: -297.972 Base-Backbone interact. energy: 2.261 local terms energy: -334.216417 where: bonds (distance) C4'-P energy: -66.891 bonds (distance) P-C4' energy: -60.726 flat angles C4'-P-C4' energy: -74.604 flat angles P-C4'-P energy: -42.423 tors. eta vs tors. theta energy: -89.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -869.696446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.696446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.696446 (E_RNA) where: Base-Base interactions energy: -595.913 where: short stacking energy: -256.224 Base-Backbone interact. energy: -3.167 local terms energy: -270.616367 where: bonds (distance) C4'-P energy: -64.134 bonds (distance) P-C4' energy: -61.681 flat angles C4'-P-C4' energy: -59.967 flat angles P-C4'-P energy: -33.873 tors. eta vs tors. theta energy: -50.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -831.947394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.947394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.947394 (E_RNA) where: Base-Base interactions energy: -558.423 where: short stacking energy: -228.599 Base-Backbone interact. energy: 1.540 local terms energy: -275.064431 where: bonds (distance) C4'-P energy: -71.107 bonds (distance) P-C4' energy: -53.707 flat angles C4'-P-C4' energy: -67.155 flat angles P-C4'-P energy: -30.328 tors. eta vs tors. theta energy: -52.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -713.842716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.842716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.842716 (E_RNA) where: Base-Base interactions energy: -445.467 where: short stacking energy: -220.192 Base-Backbone interact. energy: 5.242 local terms energy: -273.617579 where: bonds (distance) C4'-P energy: -62.545 bonds (distance) P-C4' energy: -68.826 flat angles C4'-P-C4' energy: -58.911 flat angles P-C4'-P energy: -34.087 tors. eta vs tors. theta energy: -49.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -616.644258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.644258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.644258 (E_RNA) where: Base-Base interactions energy: -387.948 where: short stacking energy: -184.062 Base-Backbone interact. energy: 1.439 local terms energy: -230.134889 where: bonds (distance) C4'-P energy: -57.420 bonds (distance) P-C4' energy: -64.203 flat angles C4'-P-C4' energy: -54.223 flat angles P-C4'-P energy: -22.970 tors. eta vs tors. theta energy: -31.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -574.114584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.114584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.114584 (E_RNA) where: Base-Base interactions energy: -375.413 where: short stacking energy: -186.162 Base-Backbone interact. energy: 0.101 local terms energy: -198.802715 where: bonds (distance) C4'-P energy: -40.504 bonds (distance) P-C4' energy: -59.466 flat angles C4'-P-C4' energy: -36.902 flat angles P-C4'-P energy: -22.636 tors. eta vs tors. theta energy: -39.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1123.929086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.929086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.929086 (E_RNA) where: Base-Base interactions energy: -768.000 where: short stacking energy: -327.466 Base-Backbone interact. energy: -2.703 local terms energy: -353.226166 where: bonds (distance) C4'-P energy: -73.389 bonds (distance) P-C4' energy: -67.873 flat angles C4'-P-C4' energy: -72.392 flat angles P-C4'-P energy: -50.508 tors. eta vs tors. theta energy: -89.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1129.451681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.451681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.451681 (E_RNA) where: Base-Base interactions energy: -796.534 where: short stacking energy: -338.671 Base-Backbone interact. energy: -3.272 local terms energy: -329.645353 where: bonds (distance) C4'-P energy: -58.652 bonds (distance) P-C4' energy: -59.247 flat angles C4'-P-C4' energy: -72.081 flat angles P-C4'-P energy: -46.850 tors. eta vs tors. theta energy: -92.815 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: 3, replica: 5 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1043.266533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.266533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.266533 (E_RNA) where: Base-Base interactions energy: -728.069 where: short stacking energy: -337.216 Base-Backbone interact. energy: 2.960 local terms energy: -318.158338 where: bonds (distance) C4'-P energy: -57.125 bonds (distance) P-C4' energy: -70.641 flat angles C4'-P-C4' energy: -65.252 flat angles P-C4'-P energy: -43.427 tors. eta vs tors. theta energy: -81.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1020.757223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.757223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.757223 (E_RNA) where: Base-Base interactions energy: -710.243 where: short stacking energy: -313.680 Base-Backbone interact. energy: -2.253 local terms energy: -308.260776 where: bonds (distance) C4'-P energy: -62.793 bonds (distance) P-C4' energy: -61.708 flat angles C4'-P-C4' energy: -63.864 flat angles P-C4'-P energy: -38.685 tors. eta vs tors. theta energy: -81.212 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: 10 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1015.691964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.691964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.691964 (E_RNA) where: Base-Base interactions energy: -707.685 where: short stacking energy: -292.181 Base-Backbone interact. energy: 2.027 local terms energy: -310.033965 where: bonds (distance) C4'-P energy: -53.177 bonds (distance) P-C4' energy: -65.587 flat angles C4'-P-C4' energy: -64.567 flat angles P-C4'-P energy: -49.086 tors. eta vs tors. theta energy: -77.618 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: 4 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -834.938258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.938258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.938258 (E_RNA) where: Base-Base interactions energy: -552.527 where: short stacking energy: -258.336 Base-Backbone interact. energy: -0.049 local terms energy: -282.362424 where: bonds (distance) C4'-P energy: -56.086 bonds (distance) P-C4' energy: -58.287 flat angles C4'-P-C4' energy: -58.350 flat angles P-C4'-P energy: -37.868 tors. eta vs tors. theta energy: -71.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -802.517652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.517652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.517652 (E_RNA) where: Base-Base interactions energy: -560.777 where: short stacking energy: -243.992 Base-Backbone interact. energy: -1.255 local terms energy: -240.486271 where: bonds (distance) C4'-P energy: -45.721 bonds (distance) P-C4' energy: -51.619 flat angles C4'-P-C4' energy: -66.418 flat angles P-C4'-P energy: -23.035 tors. eta vs tors. theta energy: -53.693 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: 8, replica: 8 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -713.229609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.229609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.229609 (E_RNA) where: Base-Base interactions energy: -460.008 where: short stacking energy: -207.830 Base-Backbone interact. energy: 2.274 local terms energy: -255.495660 where: bonds (distance) C4'-P energy: -64.991 bonds (distance) P-C4' energy: -53.150 flat angles C4'-P-C4' energy: -61.882 flat angles P-C4'-P energy: -33.457 tors. eta vs tors. theta energy: -42.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -632.217601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.217601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.217601 (E_RNA) where: Base-Base interactions energy: -397.959 where: short stacking energy: -174.444 Base-Backbone interact. energy: -1.703 local terms energy: -232.555074 where: bonds (distance) C4'-P energy: -42.207 bonds (distance) P-C4' energy: -59.569 flat angles C4'-P-C4' energy: -65.993 flat angles P-C4'-P energy: -35.695 tors. eta vs tors. theta energy: -29.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -539.980131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.980131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.980131 (E_RNA) where: Base-Base interactions energy: -346.493 where: short stacking energy: -142.805 Base-Backbone interact. energy: -0.210 local terms energy: -193.277057 where: bonds (distance) C4'-P energy: -36.958 bonds (distance) P-C4' energy: -62.269 flat angles C4'-P-C4' energy: -53.464 flat angles P-C4'-P energy: -21.524 tors. eta vs tors. theta energy: -19.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1139.001708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.001708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.001708 (E_RNA) where: Base-Base interactions energy: -796.525 where: short stacking energy: -341.150 Base-Backbone interact. energy: -1.061 local terms energy: -341.415884 where: bonds (distance) C4'-P energy: -62.529 bonds (distance) P-C4' energy: -66.278 flat angles C4'-P-C4' energy: -73.853 flat angles P-C4'-P energy: -45.820 tors. eta vs tors. theta energy: -92.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1131.408142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.408142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.408142 (E_RNA) where: Base-Base interactions energy: -808.063 where: short stacking energy: -329.777 Base-Backbone interact. energy: -1.770 local terms energy: -321.574818 where: bonds (distance) C4'-P energy: -55.128 bonds (distance) P-C4' energy: -68.265 flat angles C4'-P-C4' energy: -67.676 flat angles P-C4'-P energy: -45.875 tors. eta vs tors. theta energy: -84.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1051.472320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.472320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.472320 (E_RNA) where: Base-Base interactions energy: -737.423 where: short stacking energy: -302.960 Base-Backbone interact. energy: -2.288 local terms energy: -311.761089 where: bonds (distance) C4'-P energy: -59.217 bonds (distance) P-C4' energy: -64.466 flat angles C4'-P-C4' energy: -66.112 flat angles P-C4'-P energy: -48.714 tors. eta vs tors. theta energy: -73.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1022.390954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.390954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.390954 (E_RNA) where: Base-Base interactions energy: -712.060 where: short stacking energy: -316.961 Base-Backbone interact. energy: -0.631 local terms energy: -309.699683 where: bonds (distance) C4'-P energy: -50.897 bonds (distance) P-C4' energy: -57.735 flat angles C4'-P-C4' energy: -65.622 flat angles P-C4'-P energy: -48.188 tors. eta vs tors. theta energy: -87.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -972.960661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.960661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.960661 (E_RNA) where: Base-Base interactions energy: -670.645 where: short stacking energy: -299.934 Base-Backbone interact. energy: -0.463 local terms energy: -301.852706 where: bonds (distance) C4'-P energy: -49.711 bonds (distance) P-C4' energy: -69.198 flat angles C4'-P-C4' energy: -63.348 flat angles P-C4'-P energy: -39.302 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: 6, replica: 4 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -835.040100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.040100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.040100 (E_RNA) where: Base-Base interactions energy: -557.623 where: short stacking energy: -268.730 Base-Backbone interact. energy: -0.945 local terms energy: -276.471814 where: bonds (distance) C4'-P energy: -52.347 bonds (distance) P-C4' energy: -58.364 flat angles C4'-P-C4' energy: -63.892 flat angles P-C4'-P energy: -37.556 tors. eta vs tors. theta energy: -64.313 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: 3 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -828.198191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.198191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.198191 (E_RNA) where: Base-Base interactions energy: -570.819 where: short stacking energy: -259.561 Base-Backbone interact. energy: -0.482 local terms energy: -256.897670 where: bonds (distance) C4'-P energy: -50.802 bonds (distance) P-C4' energy: -61.650 flat angles C4'-P-C4' energy: -53.446 flat angles P-C4'-P energy: -39.098 tors. eta vs tors. theta energy: -51.901 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: 92 Temperature: 1.250000 Total energy: -687.920342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.920342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.920342 (E_RNA) where: Base-Base interactions energy: -445.905 where: short stacking energy: -203.595 Base-Backbone interact. energy: -1.040 local terms energy: -240.975336 where: bonds (distance) C4'-P energy: -52.259 bonds (distance) P-C4' energy: -58.113 flat angles C4'-P-C4' energy: -51.376 flat angles P-C4'-P energy: -32.225 tors. eta vs tors. theta energy: -47.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -621.523572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.523572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.523572 (E_RNA) where: Base-Base interactions energy: -390.627 where: short stacking energy: -179.113 Base-Backbone interact. energy: -0.768 local terms energy: -230.128536 where: bonds (distance) C4'-P energy: -44.376 bonds (distance) P-C4' energy: -57.567 flat angles C4'-P-C4' energy: -63.967 flat angles P-C4'-P energy: -29.859 tors. eta vs tors. theta energy: -34.359 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: 92 Temperature: 1.350000 Total energy: -463.720440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.720440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.720440 (E_RNA) where: Base-Base interactions energy: -268.201 where: short stacking energy: -129.122 Base-Backbone interact. energy: 0.663 local terms energy: -196.183094 where: bonds (distance) C4'-P energy: -59.002 bonds (distance) P-C4' energy: -56.982 flat angles C4'-P-C4' energy: -59.345 flat angles P-C4'-P energy: -24.025 tors. eta vs tors. theta energy: 3.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1120.528368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.528368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.528368 (E_RNA) where: Base-Base interactions energy: -787.743 where: short stacking energy: -324.786 Base-Backbone interact. energy: 1.604 local terms energy: -334.389263 where: bonds (distance) C4'-P energy: -70.559 bonds (distance) P-C4' energy: -62.936 flat angles C4'-P-C4' energy: -74.677 flat angles P-C4'-P energy: -41.261 tors. eta vs tors. theta energy: -84.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1124.780147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.780147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.780147 (E_RNA) where: Base-Base interactions energy: -786.228 where: short stacking energy: -331.246 Base-Backbone interact. energy: -3.977 local terms energy: -334.575387 where: bonds (distance) C4'-P energy: -56.583 bonds (distance) P-C4' energy: -61.487 flat angles C4'-P-C4' energy: -74.389 flat angles P-C4'-P energy: -50.802 tors. eta vs tors. theta energy: -91.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1043.556711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.556711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.556711 (E_RNA) where: Base-Base interactions energy: -739.224 where: short stacking energy: -325.905 Base-Backbone interact. energy: 2.228 local terms energy: -306.561306 where: bonds (distance) C4'-P energy: -64.752 bonds (distance) P-C4' energy: -64.514 flat angles C4'-P-C4' energy: -64.339 flat angles P-C4'-P energy: -32.152 tors. eta vs tors. theta energy: -80.805 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: 93 Temperature: 1.050000 Total energy: -979.171989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.171989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.171989 (E_RNA) where: Base-Base interactions energy: -657.024 where: short stacking energy: -280.332 Base-Backbone interact. energy: -0.721 local terms energy: -321.426960 where: bonds (distance) C4'-P energy: -53.270 bonds (distance) P-C4' energy: -67.789 flat angles C4'-P-C4' energy: -75.273 flat angles P-C4'-P energy: -53.561 tors. eta vs tors. theta energy: -71.534 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: 10 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -987.125008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.125008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.125008 (E_RNA) where: Base-Base interactions energy: -694.148 where: short stacking energy: -276.775 Base-Backbone interact. energy: 0.873 local terms energy: -293.850228 where: bonds (distance) C4'-P energy: -49.379 bonds (distance) P-C4' energy: -61.282 flat angles C4'-P-C4' energy: -63.772 flat angles P-C4'-P energy: -50.219 tors. eta vs tors. theta energy: -69.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -865.623413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.623413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.623413 (E_RNA) where: Base-Base interactions energy: -589.163 where: short stacking energy: -264.467 Base-Backbone interact. energy: -1.373 local terms energy: -275.087411 where: bonds (distance) C4'-P energy: -43.397 bonds (distance) P-C4' energy: -55.935 flat angles C4'-P-C4' energy: -55.686 flat angles P-C4'-P energy: -45.511 tors. eta vs tors. theta energy: -74.558 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: 3 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -819.200815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.200815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.200815 (E_RNA) where: Base-Base interactions energy: -554.929 where: short stacking energy: -251.607 Base-Backbone interact. energy: 0.170 local terms energy: -264.442225 where: bonds (distance) C4'-P energy: -52.014 bonds (distance) P-C4' energy: -58.494 flat angles C4'-P-C4' energy: -67.082 flat angles P-C4'-P energy: -33.735 tors. eta vs tors. theta energy: -53.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -651.718732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.718732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.718732 (E_RNA) where: Base-Base interactions energy: -425.189 where: short stacking energy: -192.602 Base-Backbone interact. energy: -0.432 local terms energy: -226.098247 where: bonds (distance) C4'-P energy: -47.815 bonds (distance) P-C4' energy: -70.054 flat angles C4'-P-C4' energy: -50.854 flat angles P-C4'-P energy: -29.794 tors. eta vs tors. theta energy: -27.581 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: 9, replica: 2 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -569.795269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.795269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.795269 (E_RNA) where: Base-Base interactions energy: -371.026 where: short stacking energy: -181.106 Base-Backbone interact. energy: 1.431 local terms energy: -200.200538 where: bonds (distance) C4'-P energy: -54.814 bonds (distance) P-C4' energy: -43.039 flat angles C4'-P-C4' energy: -52.068 flat angles P-C4'-P energy: -28.186 tors. eta vs tors. theta energy: -22.093 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: 10, replica: 9 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -475.617045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.617045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.617045 (E_RNA) where: Base-Base interactions energy: -288.444 where: short stacking energy: -161.681 Base-Backbone interact. energy: 0.536 local terms energy: -187.709605 where: bonds (distance) C4'-P energy: -50.567 bonds (distance) P-C4' energy: -53.457 flat angles C4'-P-C4' energy: -46.476 flat angles P-C4'-P energy: -21.883 tors. eta vs tors. theta energy: -15.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1141.258843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.258843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.258843 (E_RNA) where: Base-Base interactions energy: -807.227 where: short stacking energy: -341.635 Base-Backbone interact. energy: -3.409 local terms energy: -330.623605 where: bonds (distance) C4'-P energy: -49.602 bonds (distance) P-C4' energy: -68.155 flat angles C4'-P-C4' energy: -71.155 flat angles P-C4'-P energy: -46.930 tors. eta vs tors. theta energy: -94.781 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: 1 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1115.687016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.687016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.687016 (E_RNA) where: Base-Base interactions energy: -775.834 where: short stacking energy: -329.789 Base-Backbone interact. energy: -0.905 local terms energy: -338.947431 where: bonds (distance) C4'-P energy: -57.460 bonds (distance) P-C4' energy: -67.056 flat angles C4'-P-C4' energy: -73.428 flat angles P-C4'-P energy: -48.276 tors. eta vs tors. theta energy: -92.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1039.133275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.133275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.133275 (E_RNA) where: Base-Base interactions energy: -729.176 where: short stacking energy: -327.381 Base-Backbone interact. energy: -0.395 local terms energy: -309.562295 where: bonds (distance) C4'-P energy: -55.538 bonds (distance) P-C4' energy: -56.551 flat angles C4'-P-C4' energy: -65.830 flat angles P-C4'-P energy: -46.064 tors. eta vs tors. theta energy: -85.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -995.371632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.371632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.371632 (E_RNA) where: Base-Base interactions energy: -683.182 where: short stacking energy: -293.779 Base-Backbone interact. energy: 3.569 local terms energy: -315.757773 where: bonds (distance) C4'-P energy: -61.332 bonds (distance) P-C4' energy: -69.326 flat angles C4'-P-C4' energy: -62.296 flat angles P-C4'-P energy: -50.618 tors. eta vs tors. theta energy: -72.186 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: 10 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1023.587430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.587430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.587430 (E_RNA) where: Base-Base interactions energy: -713.868 where: short stacking energy: -300.281 Base-Backbone interact. energy: -3.639 local terms energy: -306.080430 where: bonds (distance) C4'-P energy: -61.471 bonds (distance) P-C4' energy: -71.542 flat angles C4'-P-C4' energy: -64.744 flat angles P-C4'-P energy: -43.470 tors. eta vs tors. theta energy: -64.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -876.964770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.964770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.964770 (E_RNA) where: Base-Base interactions energy: -588.994 where: short stacking energy: -265.124 Base-Backbone interact. energy: 0.518 local terms energy: -288.488430 where: bonds (distance) C4'-P energy: -58.945 bonds (distance) P-C4' energy: -56.081 flat angles C4'-P-C4' energy: -64.660 flat angles P-C4'-P energy: -39.680 tors. eta vs tors. theta energy: -69.122 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: 3 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -859.990423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.990423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.990423 (E_RNA) where: Base-Base interactions energy: -594.479 where: short stacking energy: -269.347 Base-Backbone interact. energy: -0.960 local terms energy: -264.550851 where: bonds (distance) C4'-P energy: -43.559 bonds (distance) P-C4' energy: -60.039 flat angles C4'-P-C4' energy: -61.047 flat angles P-C4'-P energy: -39.999 tors. eta vs tors. theta energy: -59.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -680.129448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.129448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.129448 (E_RNA) where: Base-Base interactions energy: -443.868 where: short stacking energy: -201.447 Base-Backbone interact. energy: -0.654 local terms energy: -235.607290 where: bonds (distance) C4'-P energy: -54.991 bonds (distance) P-C4' energy: -54.023 flat angles C4'-P-C4' energy: -53.682 flat angles P-C4'-P energy: -32.697 tors. eta vs tors. theta energy: -40.215 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: 9, replica: 2 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -594.604500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.604500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.604500 (E_RNA) where: Base-Base interactions energy: -389.222 where: short stacking energy: -170.482 Base-Backbone interact. energy: -0.023 local terms energy: -205.359881 where: bonds (distance) C4'-P energy: -45.318 bonds (distance) P-C4' energy: -56.213 flat angles C4'-P-C4' energy: -63.278 flat angles P-C4'-P energy: -19.156 tors. eta vs tors. theta energy: -21.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -466.440187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.440187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.440187 (E_RNA) where: Base-Base interactions energy: -256.037 where: short stacking energy: -139.047 Base-Backbone interact. energy: -1.112 local terms energy: -209.290365 where: bonds (distance) C4'-P energy: -54.560 bonds (distance) P-C4' energy: -53.570 flat angles C4'-P-C4' energy: -45.138 flat angles P-C4'-P energy: -35.515 tors. eta vs tors. theta energy: -20.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1155.680387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.680387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.680387 (E_RNA) where: Base-Base interactions energy: -803.969 where: short stacking energy: -341.960 Base-Backbone interact. energy: -1.628 local terms energy: -350.082880 where: bonds (distance) C4'-P energy: -65.198 bonds (distance) P-C4' energy: -66.975 flat angles C4'-P-C4' energy: -73.477 flat angles P-C4'-P energy: -50.484 tors. eta vs tors. theta energy: -93.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1104.565791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.565791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.565791 (E_RNA) where: Base-Base interactions energy: -777.822 where: short stacking energy: -309.097 Base-Backbone interact. energy: -1.122 local terms energy: -325.621778 where: bonds (distance) C4'-P energy: -59.165 bonds (distance) P-C4' energy: -65.405 flat angles C4'-P-C4' energy: -61.961 flat angles P-C4'-P energy: -49.616 tors. eta vs tors. theta energy: -89.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1043.678790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.678790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.678790 (E_RNA) where: Base-Base interactions energy: -722.804 where: short stacking energy: -320.246 Base-Backbone interact. energy: -1.584 local terms energy: -319.291658 where: bonds (distance) C4'-P energy: -60.793 bonds (distance) P-C4' energy: -60.619 flat angles C4'-P-C4' energy: -59.337 flat angles P-C4'-P energy: -53.058 tors. eta vs tors. theta energy: -85.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1046.932660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.932660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.932660 (E_RNA) where: Base-Base interactions energy: -724.196 where: short stacking energy: -310.009 Base-Backbone interact. energy: -1.320 local terms energy: -321.416731 where: bonds (distance) C4'-P energy: -53.351 bonds (distance) P-C4' energy: -54.608 flat angles C4'-P-C4' energy: -75.600 flat angles P-C4'-P energy: -53.352 tors. eta vs tors. theta energy: -84.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -945.424997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.424997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.424997 (E_RNA) where: Base-Base interactions energy: -649.655 where: short stacking energy: -276.928 Base-Backbone interact. energy: -0.753 local terms energy: -295.017003 where: bonds (distance) C4'-P energy: -60.521 bonds (distance) P-C4' energy: -53.203 flat angles C4'-P-C4' energy: -62.569 flat angles P-C4'-P energy: -45.071 tors. eta vs tors. theta energy: -73.653 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: 4 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -847.639001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.639001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.639001 (E_RNA) where: Base-Base interactions energy: -584.077 where: short stacking energy: -267.209 Base-Backbone interact. energy: -0.194 local terms energy: -263.367418 where: bonds (distance) C4'-P energy: -40.386 bonds (distance) P-C4' energy: -61.288 flat angles C4'-P-C4' energy: -49.628 flat angles P-C4'-P energy: -48.148 tors. eta vs tors. theta energy: -63.917 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: 3 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -862.401617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.401617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.401617 (E_RNA) where: Base-Base interactions energy: -575.677 where: short stacking energy: -247.055 Base-Backbone interact. energy: -0.515 local terms energy: -286.209599 where: bonds (distance) C4'-P energy: -50.634 bonds (distance) P-C4' energy: -63.576 flat angles C4'-P-C4' energy: -64.177 flat angles P-C4'-P energy: -44.561 tors. eta vs tors. theta energy: -63.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -689.764016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.764016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.764016 (E_RNA) where: Base-Base interactions energy: -461.096 where: short stacking energy: -204.767 Base-Backbone interact. energy: -0.990 local terms energy: -227.678054 where: bonds (distance) C4'-P energy: -54.142 bonds (distance) P-C4' energy: -42.931 flat angles C4'-P-C4' energy: -66.241 flat angles P-C4'-P energy: -32.319 tors. eta vs tors. theta energy: -32.045 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: 2 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -531.577249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.577249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.577249 (E_RNA) where: Base-Base interactions energy: -335.066 where: short stacking energy: -159.370 Base-Backbone interact. energy: 2.774 local terms energy: -199.285868 where: bonds (distance) C4'-P energy: -41.494 bonds (distance) P-C4' energy: -58.844 flat angles C4'-P-C4' energy: -56.198 flat angles P-C4'-P energy: -20.506 tors. eta vs tors. theta energy: -22.244 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: 9 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -460.776401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.776401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.776401 (E_RNA) where: Base-Base interactions energy: -266.356 where: short stacking energy: -135.410 Base-Backbone interact. energy: -1.436 local terms energy: -192.984130 where: bonds (distance) C4'-P energy: -52.855 bonds (distance) P-C4' energy: -59.342 flat angles C4'-P-C4' energy: -44.607 flat angles P-C4'-P energy: -27.444 tors. eta vs tors. theta energy: -8.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1158.027938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.027938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.027938 (E_RNA) where: Base-Base interactions energy: -782.778 where: short stacking energy: -323.246 Base-Backbone interact. energy: -4.642 local terms energy: -370.608394 where: bonds (distance) C4'-P energy: -65.368 bonds (distance) P-C4' energy: -70.128 flat angles C4'-P-C4' energy: -76.680 flat angles P-C4'-P energy: -58.306 tors. eta vs tors. theta energy: -100.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1116.752056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.752056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.752056 (E_RNA) where: Base-Base interactions energy: -767.296 where: short stacking energy: -341.254 Base-Backbone interact. energy: -1.969 local terms energy: -347.487043 where: bonds (distance) C4'-P energy: -64.453 bonds (distance) P-C4' energy: -63.958 flat angles C4'-P-C4' energy: -76.580 flat angles P-C4'-P energy: -49.914 tors. eta vs tors. theta energy: -92.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1044.757683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.757683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.757683 (E_RNA) where: Base-Base interactions energy: -728.282 where: short stacking energy: -330.686 Base-Backbone interact. energy: 3.196 local terms energy: -319.671329 where: bonds (distance) C4'-P energy: -59.271 bonds (distance) P-C4' energy: -60.833 flat angles C4'-P-C4' energy: -66.741 flat angles P-C4'-P energy: -44.173 tors. eta vs tors. theta energy: -88.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1037.790174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.790174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.790174 (E_RNA) where: Base-Base interactions energy: -728.436 where: short stacking energy: -309.211 Base-Backbone interact. energy: -0.319 local terms energy: -309.035792 where: bonds (distance) C4'-P energy: -57.063 bonds (distance) P-C4' energy: -68.355 flat angles C4'-P-C4' energy: -69.578 flat angles P-C4'-P energy: -38.700 tors. eta vs tors. theta energy: -75.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -949.001512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.001512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.001512 (E_RNA) where: Base-Base interactions energy: -646.051 where: short stacking energy: -281.186 Base-Backbone interact. energy: -0.726 local terms energy: -302.224291 where: bonds (distance) C4'-P energy: -49.822 bonds (distance) P-C4' energy: -60.691 flat angles C4'-P-C4' energy: -67.553 flat angles P-C4'-P energy: -48.876 tors. eta vs tors. theta energy: -75.282 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: 4 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -891.206065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.206065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.206065 (E_RNA) where: Base-Base interactions energy: -599.741 where: short stacking energy: -273.423 Base-Backbone interact. energy: 0.935 local terms energy: -292.399368 where: bonds (distance) C4'-P energy: -49.805 bonds (distance) P-C4' energy: -67.302 flat angles C4'-P-C4' energy: -68.297 flat angles P-C4'-P energy: -36.736 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: 7, replica: 3 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -772.006355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.006355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.006355 (E_RNA) where: Base-Base interactions energy: -515.013 where: short stacking energy: -233.163 Base-Backbone interact. energy: 0.439 local terms energy: -257.431595 where: bonds (distance) C4'-P energy: -56.591 bonds (distance) P-C4' energy: -62.485 flat angles C4'-P-C4' energy: -57.754 flat angles P-C4'-P energy: -29.508 tors. eta vs tors. theta energy: -51.093 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: 96 Temperature: 1.250000 Total energy: -702.275563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.275563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.275563 (E_RNA) where: Base-Base interactions energy: -463.329 where: short stacking energy: -201.550 Base-Backbone interact. energy: 0.459 local terms energy: -239.406118 where: bonds (distance) C4'-P energy: -65.831 bonds (distance) P-C4' energy: -57.939 flat angles C4'-P-C4' energy: -53.422 flat angles P-C4'-P energy: -36.090 tors. eta vs tors. theta energy: -26.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -540.000670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.000670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.000670 (E_RNA) where: Base-Base interactions energy: -337.061 where: short stacking energy: -156.948 Base-Backbone interact. energy: -1.424 local terms energy: -201.516168 where: bonds (distance) C4'-P energy: -58.262 bonds (distance) P-C4' energy: -62.240 flat angles C4'-P-C4' energy: -46.586 flat angles P-C4'-P energy: -27.108 tors. eta vs tors. theta energy: -7.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -382.373189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.373189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.373189 (E_RNA) where: Base-Base interactions energy: -194.654 where: short stacking energy: -101.560 Base-Backbone interact. energy: -1.761 local terms energy: -185.958564 where: bonds (distance) C4'-P energy: -62.458 bonds (distance) P-C4' energy: -46.622 flat angles C4'-P-C4' energy: -48.600 flat angles P-C4'-P energy: -30.393 tors. eta vs tors. theta energy: 2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1148.915790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.915790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.915790 (E_RNA) where: Base-Base interactions energy: -807.952 where: short stacking energy: -344.345 Base-Backbone interact. energy: -2.659 local terms energy: -338.304562 where: bonds (distance) C4'-P energy: -58.931 bonds (distance) P-C4' energy: -67.897 flat angles C4'-P-C4' energy: -70.450 flat angles P-C4'-P energy: -51.147 tors. eta vs tors. theta energy: -89.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1100.290817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.290817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.290817 (E_RNA) where: Base-Base interactions energy: -762.972 where: short stacking energy: -311.205 Base-Backbone interact. energy: -4.071 local terms energy: -333.247054 where: bonds (distance) C4'-P energy: -59.169 bonds (distance) P-C4' energy: -65.037 flat angles C4'-P-C4' energy: -71.775 flat angles P-C4'-P energy: -47.369 tors. eta vs tors. theta energy: -89.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1050.447462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.447462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.447462 (E_RNA) where: Base-Base interactions energy: -709.782 where: short stacking energy: -314.187 Base-Backbone interact. energy: -3.534 local terms energy: -337.130957 where: bonds (distance) C4'-P energy: -61.028 bonds (distance) P-C4' energy: -71.131 flat angles C4'-P-C4' energy: -70.173 flat angles P-C4'-P energy: -48.981 tors. eta vs tors. theta energy: -85.818 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: 10 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1054.921648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.921648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.921648 (E_RNA) where: Base-Base interactions energy: -750.415 where: short stacking energy: -326.033 Base-Backbone interact. energy: -0.627 local terms energy: -303.879944 where: bonds (distance) C4'-P energy: -54.443 bonds (distance) P-C4' energy: -59.304 flat angles C4'-P-C4' energy: -55.037 flat angles P-C4'-P energy: -48.571 tors. eta vs tors. theta energy: -86.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -942.843745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.843745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.843745 (E_RNA) where: Base-Base interactions energy: -654.425 where: short stacking energy: -293.610 Base-Backbone interact. energy: -0.243 local terms energy: -288.176090 where: bonds (distance) C4'-P energy: -37.508 bonds (distance) P-C4' energy: -63.674 flat angles C4'-P-C4' energy: -64.660 flat angles P-C4'-P energy: -52.718 tors. eta vs tors. theta energy: -69.616 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: 4 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -906.079742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.079742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.079742 (E_RNA) where: Base-Base interactions energy: -585.833 where: short stacking energy: -272.811 Base-Backbone interact. energy: 0.373 local terms energy: -320.620281 where: bonds (distance) C4'-P energy: -61.089 bonds (distance) P-C4' energy: -58.099 flat angles C4'-P-C4' energy: -72.854 flat angles P-C4'-P energy: -46.135 tors. eta vs tors. theta energy: -82.442 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: 3 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -826.938261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.938261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.938261 (E_RNA) where: Base-Base interactions energy: -570.903 where: short stacking energy: -262.336 Base-Backbone interact. energy: 1.870 local terms energy: -257.905468 where: bonds (distance) C4'-P energy: -54.045 bonds (distance) P-C4' energy: -48.846 flat angles C4'-P-C4' energy: -57.903 flat angles P-C4'-P energy: -38.902 tors. eta vs tors. theta energy: -58.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -713.433188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.433188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.433188 (E_RNA) where: Base-Base interactions energy: -483.715 where: short stacking energy: -216.414 Base-Backbone interact. energy: -0.994 local terms energy: -228.724510 where: bonds (distance) C4'-P energy: -35.612 bonds (distance) P-C4' energy: -56.787 flat angles C4'-P-C4' energy: -53.354 flat angles P-C4'-P energy: -38.106 tors. eta vs tors. theta energy: -44.864 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: 2 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -531.939151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.939151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.939151 (E_RNA) where: Base-Base interactions energy: -330.623 where: short stacking energy: -151.140 Base-Backbone interact. energy: -0.120 local terms energy: -201.195726 where: bonds (distance) C4'-P energy: -44.541 bonds (distance) P-C4' energy: -54.222 flat angles C4'-P-C4' energy: -43.606 flat angles P-C4'-P energy: -31.004 tors. eta vs tors. theta energy: -27.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -420.926489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.926489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.926489 (E_RNA) where: Base-Base interactions energy: -213.060 where: short stacking energy: -152.659 Base-Backbone interact. energy: -0.328 local terms energy: -207.538143 where: bonds (distance) C4'-P energy: -58.329 bonds (distance) P-C4' energy: -56.892 flat angles C4'-P-C4' energy: -38.605 flat angles P-C4'-P energy: -27.738 tors. eta vs tors. theta energy: -25.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1151.762376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.762376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.762376 (E_RNA) where: Base-Base interactions energy: -794.396 where: short stacking energy: -338.725 Base-Backbone interact. energy: -3.452 local terms energy: -353.913691 where: bonds (distance) C4'-P energy: -65.469 bonds (distance) P-C4' energy: -66.305 flat angles C4'-P-C4' energy: -74.085 flat angles P-C4'-P energy: -55.899 tors. eta vs tors. theta energy: -92.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1086.928965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.928965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.928965 (E_RNA) where: Base-Base interactions energy: -737.348 where: short stacking energy: -301.501 Base-Backbone interact. energy: -3.600 local terms energy: -345.981435 where: bonds (distance) C4'-P energy: -66.963 bonds (distance) P-C4' energy: -64.592 flat angles C4'-P-C4' energy: -70.549 flat angles P-C4'-P energy: -56.774 tors. eta vs tors. theta energy: -87.104 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: 3, replica: 10 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1097.570818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.570818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.570818 (E_RNA) where: Base-Base interactions energy: -759.099 where: short stacking energy: -333.443 Base-Backbone interact. energy: 2.489 local terms energy: -340.961108 where: bonds (distance) C4'-P energy: -59.062 bonds (distance) P-C4' energy: -63.320 flat angles C4'-P-C4' energy: -74.145 flat angles P-C4'-P energy: -51.985 tors. eta vs tors. theta energy: -92.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1032.311257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.311257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.311257 (E_RNA) where: Base-Base interactions energy: -725.406 where: short stacking energy: -323.250 Base-Backbone interact. energy: -2.415 local terms energy: -304.490967 where: bonds (distance) C4'-P energy: -57.076 bonds (distance) P-C4' energy: -62.715 flat angles C4'-P-C4' energy: -69.173 flat angles P-C4'-P energy: -38.159 tors. eta vs tors. theta energy: -77.368 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: 5 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -910.150864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.150864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.150864 (E_RNA) where: Base-Base interactions energy: -619.822 where: short stacking energy: -264.799 Base-Backbone interact. energy: -0.766 local terms energy: -289.562314 where: bonds (distance) C4'-P energy: -65.110 bonds (distance) P-C4' energy: -66.748 flat angles C4'-P-C4' energy: -63.058 flat angles P-C4'-P energy: -37.552 tors. eta vs tors. theta energy: -57.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -894.410908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.410908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.410908 (E_RNA) where: Base-Base interactions energy: -593.867 where: short stacking energy: -264.835 Base-Backbone interact. energy: -1.547 local terms energy: -298.996898 where: bonds (distance) C4'-P energy: -57.758 bonds (distance) P-C4' energy: -64.247 flat angles C4'-P-C4' energy: -66.550 flat angles P-C4'-P energy: -44.016 tors. eta vs tors. theta energy: -66.425 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: 8 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -731.413165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.413165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.413165 (E_RNA) where: Base-Base interactions energy: -487.425 where: short stacking energy: -220.992 Base-Backbone interact. energy: 1.124 local terms energy: -245.111751 where: bonds (distance) C4'-P energy: -55.018 bonds (distance) P-C4' energy: -56.216 flat angles C4'-P-C4' energy: -64.452 flat angles P-C4'-P energy: -34.639 tors. eta vs tors. theta energy: -34.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -742.251336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.251336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.251336 (E_RNA) where: Base-Base interactions energy: -487.216 where: short stacking energy: -220.058 Base-Backbone interact. energy: -1.043 local terms energy: -253.992651 where: bonds (distance) C4'-P energy: -49.114 bonds (distance) P-C4' energy: -54.463 flat angles C4'-P-C4' energy: -63.064 flat angles P-C4'-P energy: -40.424 tors. eta vs tors. theta energy: -46.927 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: 2 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -539.626733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.626733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.626733 (E_RNA) where: Base-Base interactions energy: -325.759 where: short stacking energy: -164.882 Base-Backbone interact. energy: -3.353 local terms energy: -210.515022 where: bonds (distance) C4'-P energy: -43.682 bonds (distance) P-C4' energy: -69.990 flat angles C4'-P-C4' energy: -52.125 flat angles P-C4'-P energy: -28.248 tors. eta vs tors. theta energy: -16.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -394.520968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.520968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.520968 (E_RNA) where: Base-Base interactions energy: -195.380 where: short stacking energy: -139.206 Base-Backbone interact. energy: 2.605 local terms energy: -201.745836 where: bonds (distance) C4'-P energy: -56.755 bonds (distance) P-C4' energy: -55.366 flat angles C4'-P-C4' energy: -52.890 flat angles P-C4'-P energy: -27.365 tors. eta vs tors. theta energy: -9.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1161.535172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.535172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.535172 (E_RNA) where: Base-Base interactions energy: -810.647 where: short stacking energy: -355.565 Base-Backbone interact. energy: -1.535 local terms energy: -349.352623 where: bonds (distance) C4'-P energy: -56.931 bonds (distance) P-C4' energy: -67.275 flat angles C4'-P-C4' energy: -76.712 flat angles P-C4'-P energy: -50.148 tors. eta vs tors. theta energy: -98.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1118.873046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.873046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.873046 (E_RNA) where: Base-Base interactions energy: -781.023 where: short stacking energy: -346.488 Base-Backbone interact. energy: -1.548 local terms energy: -336.301743 where: bonds (distance) C4'-P energy: -58.019 bonds (distance) P-C4' energy: -59.340 flat angles C4'-P-C4' energy: -72.783 flat angles P-C4'-P energy: -54.870 tors. eta vs tors. theta energy: -91.290 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: 1 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1057.953849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.953849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.953849 (E_RNA) where: Base-Base interactions energy: -739.080 where: short stacking energy: -323.389 Base-Backbone interact. energy: -1.162 local terms energy: -317.711389 where: bonds (distance) C4'-P energy: -65.414 bonds (distance) P-C4' energy: -64.314 flat angles C4'-P-C4' energy: -68.363 flat angles P-C4'-P energy: -37.442 tors. eta vs tors. theta energy: -82.177 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: 99 Temperature: 1.050000 Total energy: -1028.722271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.722271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.722271 (E_RNA) where: Base-Base interactions energy: -723.200 where: short stacking energy: -311.986 Base-Backbone interact. energy: -1.331 local terms energy: -304.190989 where: bonds (distance) C4'-P energy: -59.783 bonds (distance) P-C4' energy: -64.284 flat angles C4'-P-C4' energy: -59.851 flat angles P-C4'-P energy: -40.781 tors. eta vs tors. theta energy: -79.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -945.739459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.739459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.739459 (E_RNA) where: Base-Base interactions energy: -656.311 where: short stacking energy: -281.288 Base-Backbone interact. energy: -1.154 local terms energy: -288.274734 where: bonds (distance) C4'-P energy: -56.695 bonds (distance) P-C4' energy: -54.936 flat angles C4'-P-C4' energy: -65.889 flat angles P-C4'-P energy: -47.930 tors. eta vs tors. theta energy: -62.825 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: 4 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -874.937362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.937362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.937362 (E_RNA) where: Base-Base interactions energy: -580.562 where: short stacking energy: -286.338 Base-Backbone interact. energy: -0.710 local terms energy: -293.664722 where: bonds (distance) C4'-P energy: -57.111 bonds (distance) P-C4' energy: -55.610 flat angles C4'-P-C4' energy: -66.140 flat angles P-C4'-P energy: -35.077 tors. eta vs tors. theta energy: -79.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -742.753631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.753631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.753631 (E_RNA) where: Base-Base interactions energy: -486.856 where: short stacking energy: -231.388 Base-Backbone interact. energy: -0.692 local terms energy: -255.205773 where: bonds (distance) C4'-P energy: -54.707 bonds (distance) P-C4' energy: -57.477 flat angles C4'-P-C4' energy: -61.112 flat angles P-C4'-P energy: -30.144 tors. eta vs tors. theta energy: -51.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -696.128386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.128386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.128386 (E_RNA) where: Base-Base interactions energy: -460.838 where: short stacking energy: -204.166 Base-Backbone interact. energy: 1.567 local terms energy: -236.856904 where: bonds (distance) C4'-P energy: -54.435 bonds (distance) P-C4' energy: -51.633 flat angles C4'-P-C4' energy: -50.212 flat angles P-C4'-P energy: -45.901 tors. eta vs tors. theta energy: -34.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -531.550346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.550346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.550346 (E_RNA) where: Base-Base interactions energy: -329.542 where: short stacking energy: -170.865 Base-Backbone interact. energy: 6.232 local terms energy: -208.240367 where: bonds (distance) C4'-P energy: -48.563 bonds (distance) P-C4' energy: -58.804 flat angles C4'-P-C4' energy: -49.815 flat angles P-C4'-P energy: -17.762 tors. eta vs tors. theta energy: -33.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -393.504770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.504770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.504770 (E_RNA) where: Base-Base interactions energy: -200.862 where: short stacking energy: -118.416 Base-Backbone interact. energy: 0.477 local terms energy: -193.120117 where: bonds (distance) C4'-P energy: -53.751 bonds (distance) P-C4' energy: -58.056 flat angles C4'-P-C4' energy: -36.987 flat angles P-C4'-P energy: -41.259 tors. eta vs tors. theta energy: -3.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1132.833566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.833566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.833566 (E_RNA) where: Base-Base interactions energy: -789.199 where: short stacking energy: -337.733 Base-Backbone interact. energy: -2.627 local terms energy: -341.007399 where: bonds (distance) C4'-P energy: -58.494 bonds (distance) P-C4' energy: -67.542 flat angles C4'-P-C4' energy: -69.073 flat angles P-C4'-P energy: -50.423 tors. eta vs tors. theta energy: -95.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1116.470140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.470140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.470140 (E_RNA) where: Base-Base interactions energy: -772.672 where: short stacking energy: -342.299 Base-Backbone interact. energy: -1.740 local terms energy: -342.057550 where: bonds (distance) C4'-P energy: -70.368 bonds (distance) P-C4' energy: -59.997 flat angles C4'-P-C4' energy: -64.511 flat angles P-C4'-P energy: -56.303 tors. eta vs tors. theta energy: -90.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1040.208787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.208787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.208787 (E_RNA) where: Base-Base interactions energy: -741.769 where: short stacking energy: -304.523 Base-Backbone interact. energy: 0.536 local terms energy: -298.974997 where: bonds (distance) C4'-P energy: -42.975 bonds (distance) P-C4' energy: -60.248 flat angles C4'-P-C4' energy: -68.733 flat angles P-C4'-P energy: -44.705 tors. eta vs tors. theta energy: -82.314 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: 1 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1041.612769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.612769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.612769 (E_RNA) where: Base-Base interactions energy: -724.956 where: short stacking energy: -304.533 Base-Backbone interact. energy: -1.966 local terms energy: -314.690920 where: bonds (distance) C4'-P energy: -59.714 bonds (distance) P-C4' energy: -57.368 flat angles C4'-P-C4' energy: -68.635 flat angles P-C4'-P energy: -43.430 tors. eta vs tors. theta energy: -85.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -911.709100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.709100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.709100 (E_RNA) where: Base-Base interactions energy: -628.590 where: short stacking energy: -271.554 Base-Backbone interact. energy: -2.568 local terms energy: -280.551376 where: bonds (distance) C4'-P energy: -58.124 bonds (distance) P-C4' energy: -62.848 flat angles C4'-P-C4' energy: -54.375 flat angles P-C4'-P energy: -42.527 tors. eta vs tors. theta energy: -62.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -881.105634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.105634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.105634 (E_RNA) where: Base-Base interactions energy: -618.537 where: short stacking energy: -279.799 Base-Backbone interact. energy: 1.458 local terms energy: -264.026440 where: bonds (distance) C4'-P energy: -55.830 bonds (distance) P-C4' energy: -48.387 flat angles C4'-P-C4' energy: -46.806 flat angles P-C4'-P energy: -38.786 tors. eta vs tors. theta energy: -74.218 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: 7, replica: 3 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -764.313196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.313196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.313196 (E_RNA) where: Base-Base interactions energy: -518.292 where: short stacking energy: -231.620 Base-Backbone interact. energy: 0.865 local terms energy: -246.885297 where: bonds (distance) C4'-P energy: -58.130 bonds (distance) P-C4' energy: -55.352 flat angles C4'-P-C4' energy: -68.812 flat angles P-C4'-P energy: -26.448 tors. eta vs tors. theta energy: -38.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -719.092076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.092076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.092076 (E_RNA) where: Base-Base interactions energy: -473.046 where: short stacking energy: -206.904 Base-Backbone interact. energy: -1.573 local terms energy: -244.473171 where: bonds (distance) C4'-P energy: -53.446 bonds (distance) P-C4' energy: -57.444 flat angles C4'-P-C4' energy: -55.419 flat angles P-C4'-P energy: -34.949 tors. eta vs tors. theta energy: -43.215 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: 9, replica: 2 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -534.595566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.595566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.595566 (E_RNA) where: Base-Base interactions energy: -337.719 where: short stacking energy: -165.269 Base-Backbone interact. energy: -0.461 local terms energy: -196.415103 where: bonds (distance) C4'-P energy: -45.741 bonds (distance) P-C4' energy: -55.269 flat angles C4'-P-C4' energy: -41.131 flat angles P-C4'-P energy: -34.223 tors. eta vs tors. theta energy: -20.051 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: 9 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -377.922567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.922567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.922567 (E_RNA) where: Base-Base interactions energy: -194.299 where: short stacking energy: -123.240 Base-Backbone interact. energy: -0.936 local terms energy: -182.687589 where: bonds (distance) C4'-P energy: -54.808 bonds (distance) P-C4' energy: -47.943 flat angles C4'-P-C4' energy: -42.638 flat angles P-C4'-P energy: -27.258 tors. eta vs tors. theta energy: -10.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1142.824150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.824150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.824150 (E_RNA) where: Base-Base interactions energy: -790.279 where: short stacking energy: -343.540 Base-Backbone interact. energy: -2.458 local terms energy: -350.086447 where: bonds (distance) C4'-P energy: -63.072 bonds (distance) P-C4' energy: -60.332 flat angles C4'-P-C4' energy: -77.710 flat angles P-C4'-P energy: -54.728 tors. eta vs tors. theta energy: -94.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1101.367525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.367525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.367525 (E_RNA) where: Base-Base interactions energy: -793.041 where: short stacking energy: -340.455 Base-Backbone interact. energy: -1.908 local terms energy: -306.418364 where: bonds (distance) C4'-P energy: -54.180 bonds (distance) P-C4' energy: -52.230 flat angles C4'-P-C4' energy: -64.217 flat angles P-C4'-P energy: -48.727 tors. eta vs tors. theta energy: -87.063 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: 7 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1056.395875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.395875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.395875 (E_RNA) where: Base-Base interactions energy: -742.933 where: short stacking energy: -299.517 Base-Backbone interact. energy: -0.356 local terms energy: -313.107259 where: bonds (distance) C4'-P energy: -63.932 bonds (distance) P-C4' energy: -66.368 flat angles C4'-P-C4' energy: -63.759 flat angles P-C4'-P energy: -41.684 tors. eta vs tors. theta energy: -77.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1042.418983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.418983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.418983 (E_RNA) where: Base-Base interactions energy: -728.942 where: short stacking energy: -316.098 Base-Backbone interact. energy: 0.719 local terms energy: -314.195940 where: bonds (distance) C4'-P energy: -68.239 bonds (distance) P-C4' energy: -52.886 flat angles C4'-P-C4' energy: -77.977 flat angles P-C4'-P energy: -31.552 tors. eta vs tors. theta energy: -83.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -886.310250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.310250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.310250 (E_RNA) where: Base-Base interactions energy: -601.369 where: short stacking energy: -263.315 Base-Backbone interact. energy: -0.742 local terms energy: -284.199706 where: bonds (distance) C4'-P energy: -59.082 bonds (distance) P-C4' energy: -55.170 flat angles C4'-P-C4' energy: -60.257 flat angles P-C4'-P energy: -46.672 tors. eta vs tors. theta energy: -63.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -848.741406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.741406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.741406 (E_RNA) where: Base-Base interactions energy: -575.756 where: short stacking energy: -250.517 Base-Backbone interact. energy: -1.763 local terms energy: -271.222324 where: bonds (distance) C4'-P energy: -63.517 bonds (distance) P-C4' energy: -49.985 flat angles C4'-P-C4' energy: -65.968 flat angles P-C4'-P energy: -33.058 tors. eta vs tors. theta energy: -58.695 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: 3 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -805.377878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.377878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.377878 (E_RNA) where: Base-Base interactions energy: -536.931 where: short stacking energy: -236.024 Base-Backbone interact. energy: 0.721 local terms energy: -269.167404 where: bonds (distance) C4'-P energy: -54.395 bonds (distance) P-C4' energy: -60.982 flat angles C4'-P-C4' energy: -69.330 flat angles P-C4'-P energy: -35.182 tors. eta vs tors. theta energy: -49.279 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: 8 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -771.614964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.614964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.614964 (E_RNA) where: Base-Base interactions energy: -496.475 where: short stacking energy: -220.911 Base-Backbone interact. energy: -1.695 local terms energy: -273.444902 where: bonds (distance) C4'-P energy: -70.059 bonds (distance) P-C4' energy: -55.086 flat angles C4'-P-C4' energy: -55.987 flat angles P-C4'-P energy: -35.223 tors. eta vs tors. theta energy: -57.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -549.025020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.025020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.025020 (E_RNA) where: Base-Base interactions energy: -339.974 where: short stacking energy: -165.893 Base-Backbone interact. energy: -0.913 local terms energy: -208.138194 where: bonds (distance) C4'-P energy: -40.535 bonds (distance) P-C4' energy: -53.753 flat angles C4'-P-C4' energy: -56.888 flat angles P-C4'-P energy: -29.915 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: 10, replica: 9 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -361.720349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.720349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.720349 (E_RNA) where: Base-Base interactions energy: -173.464 where: short stacking energy: -111.461 Base-Backbone interact. energy: 2.598 local terms energy: -190.854953 where: bonds (distance) C4'-P energy: -52.210 bonds (distance) P-C4' energy: -61.520 flat angles C4'-P-C4' energy: -42.653 flat angles P-C4'-P energy: -22.506 tors. eta vs tors. theta energy: -11.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1144.123156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.123156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.123156 (E_RNA) where: Base-Base interactions energy: -796.482 where: short stacking energy: -341.698 Base-Backbone interact. energy: -3.887 local terms energy: -343.754138 where: bonds (distance) C4'-P energy: -62.737 bonds (distance) P-C4' energy: -63.127 flat angles C4'-P-C4' energy: -72.091 flat angles P-C4'-P energy: -50.502 tors. eta vs tors. theta energy: -95.297 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: 10 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1115.048339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.048339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.048339 (E_RNA) where: Base-Base interactions energy: -778.703 where: short stacking energy: -325.504 Base-Backbone interact. energy: -0.469 local terms energy: -335.876412 where: bonds (distance) C4'-P energy: -60.492 bonds (distance) P-C4' energy: -56.546 flat angles C4'-P-C4' energy: -78.500 flat angles P-C4'-P energy: -50.195 tors. eta vs tors. theta energy: -90.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1101.789089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.789089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.789089 (E_RNA) where: Base-Base interactions energy: -765.306 where: short stacking energy: -315.461 Base-Backbone interact. energy: -4.691 local terms energy: -331.792421 where: bonds (distance) C4'-P energy: -63.837 bonds (distance) P-C4' energy: -63.594 flat angles C4'-P-C4' energy: -73.537 flat angles P-C4'-P energy: -41.494 tors. eta vs tors. theta energy: -89.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1043.676475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.676475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.676475 (E_RNA) where: Base-Base interactions energy: -725.520 where: short stacking energy: -319.606 Base-Backbone interact. energy: -2.604 local terms energy: -315.552040 where: bonds (distance) C4'-P energy: -55.703 bonds (distance) P-C4' energy: -58.449 flat angles C4'-P-C4' energy: -70.656 flat angles P-C4'-P energy: -42.453 tors. eta vs tors. theta energy: -88.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -890.902905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.902905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.902905 (E_RNA) where: Base-Base interactions energy: -591.064 where: short stacking energy: -257.995 Base-Backbone interact. energy: -0.285 local terms energy: -299.554191 where: bonds (distance) C4'-P energy: -56.151 bonds (distance) P-C4' energy: -67.862 flat angles C4'-P-C4' energy: -61.780 flat angles P-C4'-P energy: -39.920 tors. eta vs tors. theta energy: -73.841 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: 5 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -866.604558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.604558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.604558 (E_RNA) where: Base-Base interactions energy: -599.574 where: short stacking energy: -270.642 Base-Backbone interact. energy: -0.348 local terms energy: -266.682828 where: bonds (distance) C4'-P energy: -45.739 bonds (distance) P-C4' energy: -51.785 flat angles C4'-P-C4' energy: -68.350 flat angles P-C4'-P energy: -37.961 tors. eta vs tors. theta energy: -62.848 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: 3 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -823.425414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.425414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.425414 (E_RNA) where: Base-Base interactions energy: -571.642 where: short stacking energy: -248.364 Base-Backbone interact. energy: -0.115 local terms energy: -251.667990 where: bonds (distance) C4'-P energy: -53.419 bonds (distance) P-C4' energy: -55.013 flat angles C4'-P-C4' energy: -44.883 flat angles P-C4'-P energy: -37.195 tors. eta vs tors. theta energy: -61.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -719.699002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.699002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.699002 (E_RNA) where: Base-Base interactions energy: -464.382 where: short stacking energy: -199.829 Base-Backbone interact. energy: 0.835 local terms energy: -256.151847 where: bonds (distance) C4'-P energy: -50.659 bonds (distance) P-C4' energy: -59.228 flat angles C4'-P-C4' energy: -64.895 flat angles P-C4'-P energy: -32.740 tors. eta vs tors. theta energy: -48.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -518.669241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.669241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.669241 (E_RNA) where: Base-Base interactions energy: -320.306 where: short stacking energy: -152.749 Base-Backbone interact. energy: -2.108 local terms energy: -196.255353 where: bonds (distance) C4'-P energy: -46.921 bonds (distance) P-C4' energy: -52.837 flat angles C4'-P-C4' energy: -49.418 flat angles P-C4'-P energy: -29.459 tors. eta vs tors. theta energy: -17.620 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: 10, replica: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -383.656364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.656364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.656364 (E_RNA) where: Base-Base interactions energy: -191.989 where: short stacking energy: -94.342 Base-Backbone interact. energy: -1.240 local terms energy: -190.426987 where: bonds (distance) C4'-P energy: -52.081 bonds (distance) P-C4' energy: -54.761 flat angles C4'-P-C4' energy: -45.061 flat angles P-C4'-P energy: -36.827 tors. eta vs tors. theta energy: -1.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1144.862325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.862325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.862325 (E_RNA) where: Base-Base interactions energy: -803.375 where: short stacking energy: -337.802 Base-Backbone interact. energy: -1.727 local terms energy: -339.760100 where: bonds (distance) C4'-P energy: -57.127 bonds (distance) P-C4' energy: -58.465 flat angles C4'-P-C4' energy: -76.301 flat angles P-C4'-P energy: -57.327 tors. eta vs tors. theta energy: -90.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1112.873222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.873222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.873222 (E_RNA) where: Base-Base interactions energy: -781.495 where: short stacking energy: -329.727 Base-Backbone interact. energy: -2.218 local terms energy: -329.159888 where: bonds (distance) C4'-P energy: -63.533 bonds (distance) P-C4' energy: -65.092 flat angles C4'-P-C4' energy: -64.410 flat angles P-C4'-P energy: -43.659 tors. eta vs tors. theta energy: -92.466 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: 1 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1069.341956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.341956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.341956 (E_RNA) where: Base-Base interactions energy: -756.976 where: short stacking energy: -328.429 Base-Backbone interact. energy: 0.016 local terms energy: -312.382626 where: bonds (distance) C4'-P energy: -56.940 bonds (distance) P-C4' energy: -58.588 flat angles C4'-P-C4' energy: -75.693 flat angles P-C4'-P energy: -34.431 tors. eta vs tors. theta energy: -86.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1029.161417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.161417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.161417 (E_RNA) where: Base-Base interactions energy: -726.297 where: short stacking energy: -303.536 Base-Backbone interact. energy: -1.116 local terms energy: -301.748476 where: bonds (distance) C4'-P energy: -56.342 bonds (distance) P-C4' energy: -62.899 flat angles C4'-P-C4' energy: -63.405 flat angles P-C4'-P energy: -52.184 tors. eta vs tors. theta energy: -66.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -935.363202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.363202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.363202 (E_RNA) where: Base-Base interactions energy: -647.760 where: short stacking energy: -295.470 Base-Backbone interact. energy: -0.034 local terms energy: -287.568927 where: bonds (distance) C4'-P energy: -46.478 bonds (distance) P-C4' energy: -59.144 flat angles C4'-P-C4' energy: -56.321 flat angles P-C4'-P energy: -43.001 tors. eta vs tors. theta energy: -82.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -870.586079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.586079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.586079 (E_RNA) where: Base-Base interactions energy: -599.653 where: short stacking energy: -279.222 Base-Backbone interact. energy: 1.006 local terms energy: -271.938424 where: bonds (distance) C4'-P energy: -55.601 bonds (distance) P-C4' energy: -56.265 flat angles C4'-P-C4' energy: -54.815 flat angles P-C4'-P energy: -36.411 tors. eta vs tors. theta energy: -68.846 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: 3 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -809.757892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.757892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.757892 (E_RNA) where: Base-Base interactions energy: -553.508 where: short stacking energy: -252.906 Base-Backbone interact. energy: -1.170 local terms energy: -255.079483 where: bonds (distance) C4'-P energy: -50.934 bonds (distance) P-C4' energy: -68.701 flat angles C4'-P-C4' energy: -58.792 flat angles P-C4'-P energy: -24.848 tors. eta vs tors. theta energy: -51.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -691.552977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.552977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.552977 (E_RNA) where: Base-Base interactions energy: -429.109 where: short stacking energy: -195.177 Base-Backbone interact. energy: -1.952 local terms energy: -260.492049 where: bonds (distance) C4'-P energy: -51.598 bonds (distance) P-C4' energy: -55.413 flat angles C4'-P-C4' energy: -65.209 flat angles P-C4'-P energy: -40.343 tors. eta vs tors. theta energy: -47.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -541.084715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.084715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.084715 (E_RNA) where: Base-Base interactions energy: -317.519 where: short stacking energy: -172.006 Base-Backbone interact. energy: 0.736 local terms energy: -224.301601 where: bonds (distance) C4'-P energy: -59.280 bonds (distance) P-C4' energy: -60.542 flat angles C4'-P-C4' energy: -44.467 flat angles P-C4'-P energy: -31.802 tors. eta vs tors. theta energy: -28.212 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: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -366.551924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.551924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.551924 (E_RNA) where: Base-Base interactions energy: -194.853 where: short stacking energy: -105.249 Base-Backbone interact. energy: -2.226 local terms energy: -169.472877 where: bonds (distance) C4'-P energy: -49.012 bonds (distance) P-C4' energy: -58.089 flat angles C4'-P-C4' energy: -37.487 flat angles P-C4'-P energy: -25.687 tors. eta vs tors. theta energy: 0.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1119.491868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.491868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.491868 (E_RNA) where: Base-Base interactions energy: -776.784 where: short stacking energy: -345.183 Base-Backbone interact. energy: -4.753 local terms energy: -337.954843 where: bonds (distance) C4'-P energy: -61.680 bonds (distance) P-C4' energy: -67.276 flat angles C4'-P-C4' energy: -76.388 flat angles P-C4'-P energy: -42.984 tors. eta vs tors. theta energy: -89.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1107.728100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.728100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.728100 (E_RNA) where: Base-Base interactions energy: -767.354 where: short stacking energy: -317.279 Base-Backbone interact. energy: -3.997 local terms energy: -336.377151 where: bonds (distance) C4'-P energy: -57.254 bonds (distance) P-C4' energy: -64.270 flat angles C4'-P-C4' energy: -68.430 flat angles P-C4'-P energy: -55.494 tors. eta vs tors. theta energy: -90.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1065.880048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.880048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.880048 (E_RNA) where: Base-Base interactions energy: -744.680 where: short stacking energy: -309.947 Base-Backbone interact. energy: -0.460 local terms energy: -320.739775 where: bonds (distance) C4'-P energy: -64.145 bonds (distance) P-C4' energy: -63.254 flat angles C4'-P-C4' energy: -66.764 flat angles P-C4'-P energy: -46.700 tors. eta vs tors. theta energy: -79.876 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: 7 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1007.831308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.831308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.831308 (E_RNA) where: Base-Base interactions energy: -728.442 where: short stacking energy: -299.647 Base-Backbone interact. energy: -0.214 local terms energy: -279.175851 where: bonds (distance) C4'-P energy: -40.029 bonds (distance) P-C4' energy: -60.985 flat angles C4'-P-C4' energy: -61.638 flat angles P-C4'-P energy: -41.843 tors. eta vs tors. theta energy: -74.681 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: 5, replica: 4 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -954.370828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.370828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.370828 (E_RNA) where: Base-Base interactions energy: -652.645 where: short stacking energy: -295.729 Base-Backbone interact. energy: -2.418 local terms energy: -299.307756 where: bonds (distance) C4'-P energy: -61.524 bonds (distance) P-C4' energy: -65.167 flat angles C4'-P-C4' energy: -65.364 flat angles P-C4'-P energy: -34.444 tors. eta vs tors. theta energy: -72.810 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: 5 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -861.093689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.093689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.093689 (E_RNA) where: Base-Base interactions energy: -589.937 where: short stacking energy: -247.549 Base-Backbone interact. energy: -0.560 local terms energy: -270.597021 where: bonds (distance) C4'-P energy: -55.812 bonds (distance) P-C4' energy: -58.220 flat angles C4'-P-C4' energy: -61.683 flat angles P-C4'-P energy: -33.792 tors. eta vs tors. theta energy: -61.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -789.743155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.743155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.743155 (E_RNA) where: Base-Base interactions energy: -535.377 where: short stacking energy: -227.533 Base-Backbone interact. energy: -1.370 local terms energy: -252.996091 where: bonds (distance) C4'-P energy: -54.578 bonds (distance) P-C4' energy: -49.853 flat angles C4'-P-C4' energy: -56.450 flat angles P-C4'-P energy: -35.193 tors. eta vs tors. theta energy: -56.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -683.802506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.802506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.802506 (E_RNA) where: Base-Base interactions energy: -439.699 where: short stacking energy: -202.087 Base-Backbone interact. energy: -0.383 local terms energy: -243.720619 where: bonds (distance) C4'-P energy: -53.791 bonds (distance) P-C4' energy: -56.956 flat angles C4'-P-C4' energy: -65.580 flat angles P-C4'-P energy: -22.740 tors. eta vs tors. theta energy: -44.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -580.953100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.953100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.953100 (E_RNA) where: Base-Base interactions energy: -358.028 where: short stacking energy: -160.569 Base-Backbone interact. energy: -1.213 local terms energy: -221.711665 where: bonds (distance) C4'-P energy: -58.291 bonds (distance) P-C4' energy: -52.543 flat angles C4'-P-C4' energy: -51.552 flat angles P-C4'-P energy: -30.831 tors. eta vs tors. theta energy: -28.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -382.271504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.271504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.271504 (E_RNA) where: Base-Base interactions energy: -172.776 where: short stacking energy: -109.555 Base-Backbone interact. energy: -0.240 local terms energy: -209.255483 where: bonds (distance) C4'-P energy: -61.157 bonds (distance) P-C4' energy: -62.578 flat angles C4'-P-C4' energy: -52.805 flat angles P-C4'-P energy: -19.720 tors. eta vs tors. theta energy: -12.995 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: 10 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1125.409760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.409760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.409760 (E_RNA) where: Base-Base interactions energy: -797.169 where: short stacking energy: -338.241 Base-Backbone interact. energy: -2.461 local terms energy: -325.780084 where: bonds (distance) C4'-P energy: -56.015 bonds (distance) P-C4' energy: -60.099 flat angles C4'-P-C4' energy: -71.998 flat angles P-C4'-P energy: -48.367 tors. eta vs tors. theta energy: -89.301 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: 2, replica: 6 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1092.829555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.829555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.829555 (E_RNA) where: Base-Base interactions energy: -751.666 where: short stacking energy: -324.468 Base-Backbone interact. energy: -4.139 local terms energy: -337.024414 where: bonds (distance) C4'-P energy: -59.883 bonds (distance) P-C4' energy: -62.616 flat angles C4'-P-C4' energy: -67.132 flat angles P-C4'-P energy: -54.214 tors. eta vs tors. theta energy: -93.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1045.897687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.897687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.897687 (E_RNA) where: Base-Base interactions energy: -735.380 where: short stacking energy: -290.521 Base-Backbone interact. energy: -1.438 local terms energy: -309.079695 where: bonds (distance) C4'-P energy: -60.549 bonds (distance) P-C4' energy: -58.941 flat angles C4'-P-C4' energy: -65.551 flat angles P-C4'-P energy: -41.534 tors. eta vs tors. theta energy: -82.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -972.894048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.894048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.894048 (E_RNA) where: Base-Base interactions energy: -686.276 where: short stacking energy: -294.834 Base-Backbone interact. energy: 0.789 local terms energy: -287.407348 where: bonds (distance) C4'-P energy: -53.594 bonds (distance) P-C4' energy: -59.431 flat angles C4'-P-C4' energy: -68.257 flat angles P-C4'-P energy: -38.133 tors. eta vs tors. theta energy: -67.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -939.957946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.957946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.957946 (E_RNA) where: Base-Base interactions energy: -646.584 where: short stacking energy: -314.842 Base-Backbone interact. energy: -0.368 local terms energy: -293.005892 where: bonds (distance) C4'-P energy: -47.903 bonds (distance) P-C4' energy: -59.990 flat angles C4'-P-C4' energy: -54.747 flat angles P-C4'-P energy: -45.569 tors. eta vs tors. theta energy: -84.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -879.708710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.708710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.708710 (E_RNA) where: Base-Base interactions energy: -594.955 where: short stacking energy: -267.415 Base-Backbone interact. energy: 1.279 local terms energy: -286.032994 where: bonds (distance) C4'-P energy: -54.873 bonds (distance) P-C4' energy: -60.267 flat angles C4'-P-C4' energy: -58.451 flat angles P-C4'-P energy: -41.637 tors. eta vs tors. theta energy: -70.804 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: 3 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -761.394784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.394784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.394784 (E_RNA) where: Base-Base interactions energy: -506.252 where: short stacking energy: -219.734 Base-Backbone interact. energy: -0.230 local terms energy: -254.912007 where: bonds (distance) C4'-P energy: -49.604 bonds (distance) P-C4' energy: -59.799 flat angles C4'-P-C4' energy: -71.455 flat angles P-C4'-P energy: -23.216 tors. eta vs tors. theta energy: -50.837 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: 8, replica: 8 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -679.390168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.390168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.390168 (E_RNA) where: Base-Base interactions energy: -444.047 where: short stacking energy: -209.758 Base-Backbone interact. energy: 1.907 local terms energy: -237.250632 where: bonds (distance) C4'-P energy: -57.723 bonds (distance) P-C4' energy: -49.726 flat angles C4'-P-C4' energy: -56.335 flat angles P-C4'-P energy: -29.811 tors. eta vs tors. theta energy: -43.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -549.942638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.942638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.942638 (E_RNA) where: Base-Base interactions energy: -330.063 where: short stacking energy: -173.462 Base-Backbone interact. energy: 4.410 local terms energy: -224.289446 where: bonds (distance) C4'-P energy: -56.385 bonds (distance) P-C4' energy: -53.612 flat angles C4'-P-C4' energy: -55.056 flat angles P-C4'-P energy: -30.999 tors. eta vs tors. theta energy: -28.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -360.588888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.588888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.588888 (E_RNA) where: Base-Base interactions energy: -173.267 where: short stacking energy: -104.841 Base-Backbone interact. energy: 4.609 local terms energy: -191.931070 where: bonds (distance) C4'-P energy: -52.852 bonds (distance) P-C4' energy: -61.228 flat angles C4'-P-C4' energy: -52.107 flat angles P-C4'-P energy: -21.921 tors. eta vs tors. theta energy: -3.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1150.526106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.526106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.526106 (E_RNA) where: Base-Base interactions energy: -803.518 where: short stacking energy: -350.589 Base-Backbone interact. energy: -2.335 local terms energy: -344.674082 where: bonds (distance) C4'-P energy: -68.038 bonds (distance) P-C4' energy: -60.326 flat angles C4'-P-C4' energy: -72.637 flat angles P-C4'-P energy: -49.064 tors. eta vs tors. theta energy: -94.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1121.164782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.164782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.164782 (E_RNA) where: Base-Base interactions energy: -777.059 where: short stacking energy: -332.446 Base-Backbone interact. energy: -3.393 local terms energy: -340.712351 where: bonds (distance) C4'-P energy: -53.558 bonds (distance) P-C4' energy: -64.055 flat angles C4'-P-C4' energy: -72.424 flat angles P-C4'-P energy: -56.203 tors. eta vs tors. theta energy: -94.472 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: 1 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1067.851333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.851333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.851333 (E_RNA) where: Base-Base interactions energy: -744.596 where: short stacking energy: -294.936 Base-Backbone interact. energy: -0.735 local terms energy: -322.519698 where: bonds (distance) C4'-P energy: -54.650 bonds (distance) P-C4' energy: -69.914 flat angles C4'-P-C4' energy: -67.713 flat angles P-C4'-P energy: -49.110 tors. eta vs tors. theta energy: -81.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1007.722124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.722124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.722124 (E_RNA) where: Base-Base interactions energy: -689.994 where: short stacking energy: -306.061 Base-Backbone interact. energy: -2.475 local terms energy: -315.252651 where: bonds (distance) C4'-P energy: -61.359 bonds (distance) P-C4' energy: -53.131 flat angles C4'-P-C4' energy: -67.620 flat angles P-C4'-P energy: -48.201 tors. eta vs tors. theta energy: -84.942 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: 4 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -965.177656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.177656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.177656 (E_RNA) where: Base-Base interactions energy: -678.953 where: short stacking energy: -306.143 Base-Backbone interact. energy: 0.078 local terms energy: -286.301828 where: bonds (distance) C4'-P energy: -51.129 bonds (distance) P-C4' energy: -53.292 flat angles C4'-P-C4' energy: -63.187 flat angles P-C4'-P energy: -42.245 tors. eta vs tors. theta energy: -76.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -768.793481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.793481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.793481 (E_RNA) where: Base-Base interactions energy: -508.405 where: short stacking energy: -229.536 Base-Backbone interact. energy: -0.317 local terms energy: -260.071384 where: bonds (distance) C4'-P energy: -55.519 bonds (distance) P-C4' energy: -47.176 flat angles C4'-P-C4' energy: -54.340 flat angles P-C4'-P energy: -47.608 tors. eta vs tors. theta energy: -55.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -778.012032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.012032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.012032 (E_RNA) where: Base-Base interactions energy: -513.634 where: short stacking energy: -222.203 Base-Backbone interact. energy: -0.571 local terms energy: -263.806522 where: bonds (distance) C4'-P energy: -49.804 bonds (distance) P-C4' energy: -68.355 flat angles C4'-P-C4' energy: -60.621 flat angles P-C4'-P energy: -34.940 tors. eta vs tors. theta energy: -50.087 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: 8, replica: 8 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -660.072849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.072849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.072849 (E_RNA) where: Base-Base interactions energy: -431.783 where: short stacking energy: -208.726 Base-Backbone interact. energy: 0.406 local terms energy: -228.696139 where: bonds (distance) C4'-P energy: -61.971 bonds (distance) P-C4' energy: -52.771 flat angles C4'-P-C4' energy: -65.726 flat angles P-C4'-P energy: -23.053 tors. eta vs tors. theta energy: -25.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -533.965166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.965166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.965166 (E_RNA) where: Base-Base interactions energy: -323.395 where: short stacking energy: -163.905 Base-Backbone interact. energy: -1.905 local terms energy: -208.665522 where: bonds (distance) C4'-P energy: -39.905 bonds (distance) P-C4' energy: -55.713 flat angles C4'-P-C4' energy: -42.903 flat angles P-C4'-P energy: -40.117 tors. eta vs tors. theta energy: -30.029 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: 106 Temperature: 1.350000 Total energy: -384.861658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.861658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.861658 (E_RNA) where: Base-Base interactions energy: -192.159 where: short stacking energy: -117.474 Base-Backbone interact. energy: 5.729 local terms energy: -198.431765 where: bonds (distance) C4'-P energy: -58.386 bonds (distance) P-C4' energy: -53.612 flat angles C4'-P-C4' energy: -48.816 flat angles P-C4'-P energy: -34.623 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1157.649765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.649765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.649765 (E_RNA) where: Base-Base interactions energy: -798.805 where: short stacking energy: -349.292 Base-Backbone interact. energy: 0.665 local terms energy: -359.509118 where: bonds (distance) C4'-P energy: -65.954 bonds (distance) P-C4' energy: -67.159 flat angles C4'-P-C4' energy: -75.782 flat angles P-C4'-P energy: -50.982 tors. eta vs tors. theta energy: -99.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1125.406459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.406459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.406459 (E_RNA) where: Base-Base interactions energy: -791.565 where: short stacking energy: -328.584 Base-Backbone interact. energy: 0.654 local terms energy: -334.495641 where: bonds (distance) C4'-P energy: -60.964 bonds (distance) P-C4' energy: -70.938 flat angles C4'-P-C4' energy: -69.850 flat angles P-C4'-P energy: -40.882 tors. eta vs tors. theta energy: -91.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1088.085773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.085773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.085773 (E_RNA) where: Base-Base interactions energy: -771.837 where: short stacking energy: -323.575 Base-Backbone interact. energy: -3.131 local terms energy: -313.118219 where: bonds (distance) C4'-P energy: -62.968 bonds (distance) P-C4' energy: -72.699 flat angles C4'-P-C4' energy: -64.116 flat angles P-C4'-P energy: -38.044 tors. eta vs tors. theta energy: -75.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1022.602409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.602409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.602409 (E_RNA) where: Base-Base interactions energy: -686.049 where: short stacking energy: -309.644 Base-Backbone interact. energy: -0.305 local terms energy: -336.248723 where: bonds (distance) C4'-P energy: -64.910 bonds (distance) P-C4' energy: -64.482 flat angles C4'-P-C4' energy: -71.125 flat angles P-C4'-P energy: -50.886 tors. eta vs tors. theta energy: -84.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -966.032430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.032430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.032430 (E_RNA) where: Base-Base interactions energy: -685.796 where: short stacking energy: -300.514 Base-Backbone interact. energy: -2.347 local terms energy: -277.889358 where: bonds (distance) C4'-P energy: -53.555 bonds (distance) P-C4' energy: -57.624 flat angles C4'-P-C4' energy: -61.499 flat angles P-C4'-P energy: -35.552 tors. eta vs tors. theta energy: -69.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -809.990869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.990869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.990869 (E_RNA) where: Base-Base interactions energy: -511.673 where: short stacking energy: -254.577 Base-Backbone interact. energy: -0.346 local terms energy: -297.972261 where: bonds (distance) C4'-P energy: -60.021 bonds (distance) P-C4' energy: -54.733 flat angles C4'-P-C4' energy: -70.230 flat angles P-C4'-P energy: -39.036 tors. eta vs tors. theta energy: -73.952 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: 7, replica: 3 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -776.198735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.198735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.198735 (E_RNA) where: Base-Base interactions energy: -513.384 where: short stacking energy: -232.757 Base-Backbone interact. energy: -2.242 local terms energy: -260.573296 where: bonds (distance) C4'-P energy: -52.523 bonds (distance) P-C4' energy: -56.735 flat angles C4'-P-C4' energy: -56.014 flat angles P-C4'-P energy: -35.916 tors. eta vs tors. theta energy: -59.385 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: 8, replica: 8 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -698.950028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.950028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.950028 (E_RNA) where: Base-Base interactions energy: -463.169 where: short stacking energy: -208.793 Base-Backbone interact. energy: -0.734 local terms energy: -235.046789 where: bonds (distance) C4'-P energy: -48.901 bonds (distance) P-C4' energy: -54.943 flat angles C4'-P-C4' energy: -49.265 flat angles P-C4'-P energy: -40.766 tors. eta vs tors. theta energy: -41.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -507.414264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.414264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.414264 (E_RNA) where: Base-Base interactions energy: -286.815 where: short stacking energy: -139.427 Base-Backbone interact. energy: 0.028 local terms energy: -220.627620 where: bonds (distance) C4'-P energy: -49.091 bonds (distance) P-C4' energy: -68.851 flat angles C4'-P-C4' energy: -50.282 flat angles P-C4'-P energy: -30.745 tors. eta vs tors. theta energy: -21.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -380.526349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.526349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.526349 (E_RNA) where: Base-Base interactions energy: -196.607 where: short stacking energy: -120.442 Base-Backbone interact. energy: -2.286 local terms energy: -181.633495 where: bonds (distance) C4'-P energy: -57.718 bonds (distance) P-C4' energy: -53.248 flat angles C4'-P-C4' energy: -42.170 flat angles P-C4'-P energy: -28.139 tors. eta vs tors. theta energy: -0.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1143.633062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.633062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.633062 (E_RNA) where: Base-Base interactions energy: -802.255 where: short stacking energy: -338.972 Base-Backbone interact. energy: -2.780 local terms energy: -338.597579 where: bonds (distance) C4'-P energy: -61.094 bonds (distance) P-C4' energy: -73.632 flat angles C4'-P-C4' energy: -72.787 flat angles P-C4'-P energy: -38.849 tors. eta vs tors. theta energy: -92.236 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: 6 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1122.682104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.682104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.682104 (E_RNA) where: Base-Base interactions energy: -780.893 where: short stacking energy: -343.503 Base-Backbone interact. energy: -2.434 local terms energy: -339.354655 where: bonds (distance) C4'-P energy: -60.152 bonds (distance) P-C4' energy: -64.944 flat angles C4'-P-C4' energy: -76.961 flat angles P-C4'-P energy: -44.284 tors. eta vs tors. theta energy: -93.014 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: 1 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1062.504487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.504487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.504487 (E_RNA) where: Base-Base interactions energy: -745.107 where: short stacking energy: -320.563 Base-Backbone interact. energy: -1.347 local terms energy: -316.050682 where: bonds (distance) C4'-P energy: -55.922 bonds (distance) P-C4' energy: -63.637 flat angles C4'-P-C4' energy: -63.218 flat angles P-C4'-P energy: -43.528 tors. eta vs tors. theta energy: -89.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1050.309756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.309756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.309756 (E_RNA) where: Base-Base interactions energy: -736.199 where: short stacking energy: -339.039 Base-Backbone interact. energy: -0.387 local terms energy: -313.723414 where: bonds (distance) C4'-P energy: -42.839 bonds (distance) P-C4' energy: -55.660 flat angles C4'-P-C4' energy: -71.867 flat angles P-C4'-P energy: -48.720 tors. eta vs tors. theta energy: -94.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -958.508334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.508334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.508334 (E_RNA) where: Base-Base interactions energy: -669.921 where: short stacking energy: -277.433 Base-Backbone interact. energy: -2.633 local terms energy: -285.954580 where: bonds (distance) C4'-P energy: -56.659 bonds (distance) P-C4' energy: -61.509 flat angles C4'-P-C4' energy: -67.510 flat angles P-C4'-P energy: -32.994 tors. eta vs tors. theta energy: -67.283 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: 5 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -771.839593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.839593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.839593 (E_RNA) where: Base-Base interactions energy: -507.959 where: short stacking energy: -239.798 Base-Backbone interact. energy: -0.508 local terms energy: -263.372682 where: bonds (distance) C4'-P energy: -55.546 bonds (distance) P-C4' energy: -56.979 flat angles C4'-P-C4' energy: -45.911 flat angles P-C4'-P energy: -43.968 tors. eta vs tors. theta energy: -60.969 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: 3 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -781.117363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.117363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.117363 (E_RNA) where: Base-Base interactions energy: -534.718 where: short stacking energy: -226.960 Base-Backbone interact. energy: 0.311 local terms energy: -246.710262 where: bonds (distance) C4'-P energy: -48.285 bonds (distance) P-C4' energy: -59.118 flat angles C4'-P-C4' energy: -57.654 flat angles P-C4'-P energy: -29.172 tors. eta vs tors. theta energy: -52.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -717.008956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.008956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.008956 (E_RNA) where: Base-Base interactions energy: -448.315 where: short stacking energy: -219.331 Base-Backbone interact. energy: 1.356 local terms energy: -270.049866 where: bonds (distance) C4'-P energy: -56.221 bonds (distance) P-C4' energy: -69.194 flat angles C4'-P-C4' energy: -68.553 flat angles P-C4'-P energy: -31.002 tors. eta vs tors. theta energy: -45.080 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: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -504.872570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.872570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.872570 (E_RNA) where: Base-Base interactions energy: -309.922 where: short stacking energy: -135.587 Base-Backbone interact. energy: 1.566 local terms energy: -196.515927 where: bonds (distance) C4'-P energy: -50.048 bonds (distance) P-C4' energy: -60.775 flat angles C4'-P-C4' energy: -45.268 flat angles P-C4'-P energy: -29.375 tors. eta vs tors. theta energy: -11.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -384.061994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.061994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.061994 (E_RNA) where: Base-Base interactions energy: -202.772 where: short stacking energy: -109.565 Base-Backbone interact. energy: 2.388 local terms energy: -183.678208 where: bonds (distance) C4'-P energy: -57.491 bonds (distance) P-C4' energy: -52.825 flat angles C4'-P-C4' energy: -47.264 flat angles P-C4'-P energy: -18.431 tors. eta vs tors. theta energy: -7.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1148.637451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.637451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.637451 (E_RNA) where: Base-Base interactions energy: -794.677 where: short stacking energy: -351.967 Base-Backbone interact. energy: -0.556 local terms energy: -353.403913 where: bonds (distance) C4'-P energy: -63.850 bonds (distance) P-C4' energy: -66.365 flat angles C4'-P-C4' energy: -65.693 flat angles P-C4'-P energy: -56.164 tors. eta vs tors. theta energy: -101.332 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: 6 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1143.167348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.167348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.167348 (E_RNA) where: Base-Base interactions energy: -786.301 where: short stacking energy: -342.012 Base-Backbone interact. energy: -3.462 local terms energy: -353.403817 where: bonds (distance) C4'-P energy: -69.094 bonds (distance) P-C4' energy: -62.586 flat angles C4'-P-C4' energy: -72.651 flat angles P-C4'-P energy: -51.322 tors. eta vs tors. theta energy: -97.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1029.560101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.560101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.560101 (E_RNA) where: Base-Base interactions energy: -736.150 where: short stacking energy: -318.544 Base-Backbone interact. energy: -2.133 local terms energy: -291.276842 where: bonds (distance) C4'-P energy: -53.137 bonds (distance) P-C4' energy: -52.721 flat angles C4'-P-C4' energy: -65.816 flat angles P-C4'-P energy: -39.376 tors. eta vs tors. theta energy: -80.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1020.000409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.000409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.000409 (E_RNA) where: Base-Base interactions energy: -722.265 where: short stacking energy: -326.496 Base-Backbone interact. energy: -2.146 local terms energy: -295.589231 where: bonds (distance) C4'-P energy: -45.351 bonds (distance) P-C4' energy: -61.085 flat angles C4'-P-C4' energy: -71.435 flat angles P-C4'-P energy: -31.523 tors. eta vs tors. theta energy: -86.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -974.261874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.261874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.261874 (E_RNA) where: Base-Base interactions energy: -691.212 where: short stacking energy: -298.648 Base-Backbone interact. energy: 2.944 local terms energy: -285.994605 where: bonds (distance) C4'-P energy: -49.648 bonds (distance) P-C4' energy: -50.383 flat angles C4'-P-C4' energy: -72.080 flat angles P-C4'-P energy: -39.833 tors. eta vs tors. theta energy: -74.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -806.533908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.533908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.533908 (E_RNA) where: Base-Base interactions energy: -540.118 where: short stacking energy: -242.366 Base-Backbone interact. energy: -0.524 local terms energy: -265.891675 where: bonds (distance) C4'-P energy: -50.678 bonds (distance) P-C4' energy: -60.112 flat angles C4'-P-C4' energy: -55.464 flat angles P-C4'-P energy: -42.617 tors. eta vs tors. theta energy: -57.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -780.987728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.987728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.987728 (E_RNA) where: Base-Base interactions energy: -535.933 where: short stacking energy: -238.579 Base-Backbone interact. energy: -2.178 local terms energy: -242.877329 where: bonds (distance) C4'-P energy: -50.604 bonds (distance) P-C4' energy: -52.294 flat angles C4'-P-C4' energy: -54.310 flat angles P-C4'-P energy: -28.493 tors. eta vs tors. theta energy: -57.177 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: 109 Temperature: 1.250000 Total energy: -737.047244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.047244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.047244 (E_RNA) where: Base-Base interactions energy: -496.019 where: short stacking energy: -221.409 Base-Backbone interact. energy: 0.037 local terms energy: -241.065277 where: bonds (distance) C4'-P energy: -45.798 bonds (distance) P-C4' energy: -48.666 flat angles C4'-P-C4' energy: -52.644 flat angles P-C4'-P energy: -48.089 tors. eta vs tors. theta energy: -45.870 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: 2 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -477.788244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.788244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.788244 (E_RNA) where: Base-Base interactions energy: -283.530 where: short stacking energy: -144.915 Base-Backbone interact. energy: -0.146 local terms energy: -194.112137 where: bonds (distance) C4'-P energy: -47.990 bonds (distance) P-C4' energy: -45.250 flat angles C4'-P-C4' energy: -46.420 flat angles P-C4'-P energy: -30.855 tors. eta vs tors. theta energy: -23.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -424.705304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.705304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.705304 (E_RNA) where: Base-Base interactions energy: -217.499 where: short stacking energy: -126.477 Base-Backbone interact. energy: -0.657 local terms energy: -206.550014 where: bonds (distance) C4'-P energy: -62.538 bonds (distance) P-C4' energy: -56.041 flat angles C4'-P-C4' energy: -44.023 flat angles P-C4'-P energy: -34.805 tors. eta vs tors. theta energy: -9.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1161.847967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.847967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.847967 (E_RNA) where: Base-Base interactions energy: -801.602 where: short stacking energy: -347.585 Base-Backbone interact. energy: -2.756 local terms energy: -357.490654 where: bonds (distance) C4'-P energy: -60.383 bonds (distance) P-C4' energy: -67.233 flat angles C4'-P-C4' energy: -75.925 flat angles P-C4'-P energy: -54.566 tors. eta vs tors. theta energy: -99.384 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: 6 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1122.682535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.682535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.682535 (E_RNA) where: Base-Base interactions energy: -790.719 where: short stacking energy: -329.119 Base-Backbone interact. energy: 1.119 local terms energy: -333.082672 where: bonds (distance) C4'-P energy: -64.911 bonds (distance) P-C4' energy: -65.529 flat angles C4'-P-C4' energy: -71.572 flat angles P-C4'-P energy: -37.996 tors. eta vs tors. theta energy: -93.075 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: 4 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1063.945576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.945576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.945576 (E_RNA) where: Base-Base interactions energy: -748.055 where: short stacking energy: -349.811 Base-Backbone interact. energy: -1.692 local terms energy: -314.198555 where: bonds (distance) C4'-P energy: -59.394 bonds (distance) P-C4' energy: -59.991 flat angles C4'-P-C4' energy: -61.410 flat angles P-C4'-P energy: -41.698 tors. eta vs tors. theta energy: -91.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1003.203522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.203522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.203522 (E_RNA) where: Base-Base interactions energy: -709.456 where: short stacking energy: -300.143 Base-Backbone interact. energy: -2.261 local terms energy: -291.486654 where: bonds (distance) C4'-P energy: -54.381 bonds (distance) P-C4' energy: -53.834 flat angles C4'-P-C4' energy: -74.965 flat angles P-C4'-P energy: -41.534 tors. eta vs tors. theta energy: -66.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -968.521020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.521020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.521020 (E_RNA) where: Base-Base interactions energy: -670.080 where: short stacking energy: -276.398 Base-Backbone interact. energy: -0.069 local terms energy: -298.372619 where: bonds (distance) C4'-P energy: -56.221 bonds (distance) P-C4' energy: -66.090 flat angles C4'-P-C4' energy: -65.595 flat angles P-C4'-P energy: -40.718 tors. eta vs tors. theta energy: -69.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -849.514549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.514549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.514549 (E_RNA) where: Base-Base interactions energy: -553.016 where: short stacking energy: -249.193 Base-Backbone interact. energy: -1.961 local terms energy: -294.537482 where: bonds (distance) C4'-P energy: -56.136 bonds (distance) P-C4' energy: -62.994 flat angles C4'-P-C4' energy: -64.793 flat angles P-C4'-P energy: -42.392 tors. eta vs tors. theta energy: -68.222 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: 3 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -739.098085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.098085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.098085 (E_RNA) where: Base-Base interactions energy: -504.626 where: short stacking energy: -222.231 Base-Backbone interact. energy: -1.471 local terms energy: -233.000778 where: bonds (distance) C4'-P energy: -38.749 bonds (distance) P-C4' energy: -60.647 flat angles C4'-P-C4' energy: -62.354 flat angles P-C4'-P energy: -26.628 tors. eta vs tors. theta energy: -44.623 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: 8 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -645.353555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.353555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.353555 (E_RNA) where: Base-Base interactions energy: -403.931 where: short stacking energy: -180.098 Base-Backbone interact. energy: 0.256 local terms energy: -241.678986 where: bonds (distance) C4'-P energy: -61.761 bonds (distance) P-C4' energy: -58.561 flat angles C4'-P-C4' energy: -55.638 flat angles P-C4'-P energy: -38.477 tors. eta vs tors. theta energy: -27.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -421.455817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.455817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.455817 (E_RNA) where: Base-Base interactions energy: -214.888 where: short stacking energy: -131.831 Base-Backbone interact. energy: -1.050 local terms energy: -205.518210 where: bonds (distance) C4'-P energy: -51.994 bonds (distance) P-C4' energy: -62.204 flat angles C4'-P-C4' energy: -45.742 flat angles P-C4'-P energy: -31.654 tors. eta vs tors. theta energy: -13.925 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: 10, replica: 2 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -407.867721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.867721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.867721 (E_RNA) where: Base-Base interactions energy: -208.724 where: short stacking energy: -134.375 Base-Backbone interact. energy: -2.135 local terms energy: -197.008813 where: bonds (distance) C4'-P energy: -50.400 bonds (distance) P-C4' energy: -45.563 flat angles C4'-P-C4' energy: -56.911 flat angles P-C4'-P energy: -21.765 tors. eta vs tors. theta energy: -22.369 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: 10 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1132.041950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.041950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.041950 (E_RNA) where: Base-Base interactions energy: -792.602 where: short stacking energy: -342.731 Base-Backbone interact. energy: -1.285 local terms energy: -338.155175 where: bonds (distance) C4'-P energy: -61.552 bonds (distance) P-C4' energy: -66.085 flat angles C4'-P-C4' energy: -69.851 flat angles P-C4'-P energy: -44.900 tors. eta vs tors. theta energy: -95.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1112.079513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.079513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.079513 (E_RNA) where: Base-Base interactions energy: -770.469 where: short stacking energy: -331.233 Base-Backbone interact. energy: -0.563 local terms energy: -341.046812 where: bonds (distance) C4'-P energy: -61.946 bonds (distance) P-C4' energy: -63.011 flat angles C4'-P-C4' energy: -75.570 flat angles P-C4'-P energy: -51.570 tors. eta vs tors. theta energy: -88.949 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: 111 Temperature: 1.000000 Total energy: -1074.152154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.152154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.152154 (E_RNA) where: Base-Base interactions energy: -741.364 where: short stacking energy: -338.807 Base-Backbone interact. energy: -2.559 local terms energy: -330.229218 where: bonds (distance) C4'-P energy: -57.466 bonds (distance) P-C4' energy: -59.239 flat angles C4'-P-C4' energy: -70.570 flat angles P-C4'-P energy: -45.121 tors. eta vs tors. theta energy: -97.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1038.740943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.740943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.740943 (E_RNA) where: Base-Base interactions energy: -740.461 where: short stacking energy: -293.395 Base-Backbone interact. energy: -1.991 local terms energy: -296.288718 where: bonds (distance) C4'-P energy: -56.210 bonds (distance) P-C4' energy: -59.768 flat angles C4'-P-C4' energy: -71.595 flat angles P-C4'-P energy: -39.379 tors. eta vs tors. theta energy: -69.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -952.966599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.966599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.966599 (E_RNA) where: Base-Base interactions energy: -677.985 where: short stacking energy: -282.429 Base-Backbone interact. energy: -2.681 local terms energy: -272.299901 where: bonds (distance) C4'-P energy: -57.151 bonds (distance) P-C4' energy: -57.403 flat angles C4'-P-C4' energy: -61.812 flat angles P-C4'-P energy: -30.474 tors. eta vs tors. theta energy: -65.460 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: 6, replica: 5 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -832.794749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.794749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.794749 (E_RNA) where: Base-Base interactions energy: -549.906 where: short stacking energy: -233.219 Base-Backbone interact. energy: -1.499 local terms energy: -281.389364 where: bonds (distance) C4'-P energy: -48.524 bonds (distance) P-C4' energy: -56.654 flat angles C4'-P-C4' energy: -62.625 flat angles P-C4'-P energy: -46.123 tors. eta vs tors. theta energy: -67.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -744.692164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.692164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.692164 (E_RNA) where: Base-Base interactions energy: -497.663 where: short stacking energy: -205.952 Base-Backbone interact. energy: -1.548 local terms energy: -245.481699 where: bonds (distance) C4'-P energy: -36.849 bonds (distance) P-C4' energy: -57.476 flat angles C4'-P-C4' energy: -60.173 flat angles P-C4'-P energy: -50.571 tors. eta vs tors. theta energy: -40.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -664.548822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.548822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.548822 (E_RNA) where: Base-Base interactions energy: -432.408 where: short stacking energy: -182.783 Base-Backbone interact. energy: 2.307 local terms energy: -234.448028 where: bonds (distance) C4'-P energy: -54.140 bonds (distance) P-C4' energy: -55.060 flat angles C4'-P-C4' energy: -56.508 flat angles P-C4'-P energy: -35.219 tors. eta vs tors. theta energy: -33.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -418.068421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.068421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.068421 (E_RNA) where: Base-Base interactions energy: -202.669 where: short stacking energy: -137.443 Base-Backbone interact. energy: -0.142 local terms energy: -215.257257 where: bonds (distance) C4'-P energy: -45.361 bonds (distance) P-C4' energy: -65.589 flat angles C4'-P-C4' energy: -60.306 flat angles P-C4'-P energy: -19.103 tors. eta vs tors. theta energy: -24.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -409.941370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.941370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.941370 (E_RNA) where: Base-Base interactions energy: -199.311 where: short stacking energy: -124.514 Base-Backbone interact. energy: 8.098 local terms energy: -218.728741 where: bonds (distance) C4'-P energy: -53.588 bonds (distance) P-C4' energy: -60.669 flat angles C4'-P-C4' energy: -58.709 flat angles P-C4'-P energy: -32.337 tors. eta vs tors. theta energy: -13.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1145.950236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.950236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.950236 (E_RNA) where: Base-Base interactions energy: -788.271 where: short stacking energy: -326.454 Base-Backbone interact. energy: -2.802 local terms energy: -354.877588 where: bonds (distance) C4'-P energy: -66.976 bonds (distance) P-C4' energy: -80.746 flat angles C4'-P-C4' energy: -75.141 flat angles P-C4'-P energy: -46.553 tors. eta vs tors. theta energy: -85.461 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: 10 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1133.367623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.367623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.367623 (E_RNA) where: Base-Base interactions energy: -791.890 where: short stacking energy: -351.634 Base-Backbone interact. energy: -1.585 local terms energy: -339.892687 where: bonds (distance) C4'-P energy: -63.280 bonds (distance) P-C4' energy: -60.943 flat angles C4'-P-C4' energy: -71.570 flat angles P-C4'-P energy: -54.812 tors. eta vs tors. theta energy: -89.288 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: 3, replica: 4 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1062.910665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.910665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.910665 (E_RNA) where: Base-Base interactions energy: -728.560 where: short stacking energy: -334.599 Base-Backbone interact. energy: -1.499 local terms energy: -332.851205 where: bonds (distance) C4'-P energy: -60.690 bonds (distance) P-C4' energy: -62.344 flat angles C4'-P-C4' energy: -72.441 flat angles P-C4'-P energy: -45.999 tors. eta vs tors. theta energy: -91.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1050.573726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.573726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.573726 (E_RNA) where: Base-Base interactions energy: -741.928 where: short stacking energy: -315.440 Base-Backbone interact. energy: -4.732 local terms energy: -303.913720 where: bonds (distance) C4'-P energy: -50.542 bonds (distance) P-C4' energy: -51.111 flat angles C4'-P-C4' energy: -72.285 flat angles P-C4'-P energy: -46.756 tors. eta vs tors. theta energy: -83.219 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: 7 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -941.695624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.695624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.695624 (E_RNA) where: Base-Base interactions energy: -638.698 where: short stacking energy: -275.469 Base-Backbone interact. energy: -1.352 local terms energy: -301.646006 where: bonds (distance) C4'-P energy: -69.139 bonds (distance) P-C4' energy: -56.044 flat angles C4'-P-C4' energy: -57.673 flat angles P-C4'-P energy: -42.604 tors. eta vs tors. theta energy: -76.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -799.462922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.462922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.462922 (E_RNA) where: Base-Base interactions energy: -533.567 where: short stacking energy: -227.398 Base-Backbone interact. energy: -1.211 local terms energy: -264.684276 where: bonds (distance) C4'-P energy: -58.863 bonds (distance) P-C4' energy: -49.429 flat angles C4'-P-C4' energy: -56.403 flat angles P-C4'-P energy: -39.956 tors. eta vs tors. theta energy: -60.033 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: 3 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -703.465901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.465901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.465901 (E_RNA) where: Base-Base interactions energy: -448.629 where: short stacking energy: -181.113 Base-Backbone interact. energy: 0.573 local terms energy: -255.409828 where: bonds (distance) C4'-P energy: -64.993 bonds (distance) P-C4' energy: -58.786 flat angles C4'-P-C4' energy: -62.003 flat angles P-C4'-P energy: -38.182 tors. eta vs tors. theta energy: -31.445 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: 112 Temperature: 1.250000 Total energy: -673.944801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.944801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.944801 (E_RNA) where: Base-Base interactions energy: -439.022 where: short stacking energy: -184.827 Base-Backbone interact. energy: 1.930 local terms energy: -236.852245 where: bonds (distance) C4'-P energy: -51.964 bonds (distance) P-C4' energy: -61.604 flat angles C4'-P-C4' energy: -58.864 flat angles P-C4'-P energy: -33.731 tors. eta vs tors. theta energy: -30.689 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: 2 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -430.447507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.447507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.447507 (E_RNA) where: Base-Base interactions energy: -253.827 where: short stacking energy: -161.249 Base-Backbone interact. energy: 1.939 local terms energy: -178.559075 where: bonds (distance) C4'-P energy: -45.264 bonds (distance) P-C4' energy: -52.415 flat angles C4'-P-C4' energy: -32.437 flat angles P-C4'-P energy: -24.848 tors. eta vs tors. theta energy: -23.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -425.864105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.864105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.864105 (E_RNA) where: Base-Base interactions energy: -215.397 where: short stacking energy: -135.946 Base-Backbone interact. energy: 0.399 local terms energy: -210.866171 where: bonds (distance) C4'-P energy: -59.469 bonds (distance) P-C4' energy: -53.565 flat angles C4'-P-C4' energy: -53.896 flat angles P-C4'-P energy: -25.226 tors. eta vs tors. theta energy: -18.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1157.191261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.191261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.191261 (E_RNA) where: Base-Base interactions energy: -800.554 where: short stacking energy: -345.559 Base-Backbone interact. energy: -3.317 local terms energy: -353.320514 where: bonds (distance) C4'-P energy: -56.144 bonds (distance) P-C4' energy: -68.768 flat angles C4'-P-C4' energy: -75.911 flat angles P-C4'-P energy: -55.841 tors. eta vs tors. theta energy: -96.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1124.542074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.542074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.542074 (E_RNA) where: Base-Base interactions energy: -784.869 where: short stacking energy: -346.531 Base-Backbone interact. energy: -2.527 local terms energy: -337.145162 where: bonds (distance) C4'-P energy: -68.211 bonds (distance) P-C4' energy: -60.432 flat angles C4'-P-C4' energy: -72.266 flat angles P-C4'-P energy: -54.107 tors. eta vs tors. theta energy: -82.129 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: 3, replica: 4 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1063.681049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.681049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.681049 (E_RNA) where: Base-Base interactions energy: -729.525 where: short stacking energy: -357.305 Base-Backbone interact. energy: -0.681 local terms energy: -333.475498 where: bonds (distance) C4'-P energy: -58.369 bonds (distance) P-C4' energy: -55.920 flat angles C4'-P-C4' energy: -73.931 flat angles P-C4'-P energy: -46.621 tors. eta vs tors. theta energy: -98.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -960.412231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.412231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.412231 (E_RNA) where: Base-Base interactions energy: -667.913 where: short stacking energy: -297.769 Base-Backbone interact. energy: -1.275 local terms energy: -291.224852 where: bonds (distance) C4'-P energy: -41.129 bonds (distance) P-C4' energy: -59.618 flat angles C4'-P-C4' energy: -68.909 flat angles P-C4'-P energy: -43.820 tors. eta vs tors. theta energy: -77.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1006.046237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.046237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.046237 (E_RNA) where: Base-Base interactions energy: -706.895 where: short stacking energy: -299.939 Base-Backbone interact. energy: -0.674 local terms energy: -298.477635 where: bonds (distance) C4'-P energy: -58.606 bonds (distance) P-C4' energy: -61.359 flat angles C4'-P-C4' energy: -59.565 flat angles P-C4'-P energy: -34.895 tors. eta vs tors. theta energy: -84.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -842.068607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.068607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.068607 (E_RNA) where: Base-Base interactions energy: -566.546 where: short stacking energy: -251.167 Base-Backbone interact. energy: -2.400 local terms energy: -273.121882 where: bonds (distance) C4'-P energy: -54.219 bonds (distance) P-C4' energy: -54.128 flat angles C4'-P-C4' energy: -68.133 flat angles P-C4'-P energy: -37.266 tors. eta vs tors. theta energy: -59.377 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: 3 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -754.505021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.505021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.505021 (E_RNA) where: Base-Base interactions energy: -504.012 where: short stacking energy: -219.264 Base-Backbone interact. energy: -0.591 local terms energy: -249.902554 where: bonds (distance) C4'-P energy: -52.161 bonds (distance) P-C4' energy: -52.260 flat angles C4'-P-C4' energy: -58.575 flat angles P-C4'-P energy: -34.719 tors. eta vs tors. theta energy: -52.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -688.417152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.417152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.417152 (E_RNA) where: Base-Base interactions energy: -448.758 where: short stacking energy: -211.937 Base-Backbone interact. energy: -2.513 local terms energy: -237.145251 where: bonds (distance) C4'-P energy: -56.279 bonds (distance) P-C4' energy: -63.085 flat angles C4'-P-C4' energy: -50.440 flat angles P-C4'-P energy: -26.468 tors. eta vs tors. theta energy: -40.874 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: 113 Temperature: 1.300000 Total energy: -441.318891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.318891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.318891 (E_RNA) where: Base-Base interactions energy: -245.932 where: short stacking energy: -129.261 Base-Backbone interact. energy: -1.158 local terms energy: -194.228061 where: bonds (distance) C4'-P energy: -55.591 bonds (distance) P-C4' energy: -60.080 flat angles C4'-P-C4' energy: -41.931 flat angles P-C4'-P energy: -22.075 tors. eta vs tors. theta energy: -14.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -364.146557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.146557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.146557 (E_RNA) where: Base-Base interactions energy: -168.785 where: short stacking energy: -87.108 Base-Backbone interact. energy: -3.057 local terms energy: -192.304371 where: bonds (distance) C4'-P energy: -54.105 bonds (distance) P-C4' energy: -58.641 flat angles C4'-P-C4' energy: -39.561 flat angles P-C4'-P energy: -31.491 tors. eta vs tors. theta energy: -8.506 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: 6 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1135.534404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.534404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.534404 (E_RNA) where: Base-Base interactions energy: -786.036 where: short stacking energy: -324.821 Base-Backbone interact. energy: -2.824 local terms energy: -346.674322 where: bonds (distance) C4'-P energy: -68.766 bonds (distance) P-C4' energy: -59.871 flat angles C4'-P-C4' energy: -72.358 flat angles P-C4'-P energy: -53.923 tors. eta vs tors. theta energy: -91.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1115.968084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.968084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.968084 (E_RNA) where: Base-Base interactions energy: -791.613 where: short stacking energy: -338.637 Base-Backbone interact. energy: -0.242 local terms energy: -324.112799 where: bonds (distance) C4'-P energy: -55.719 bonds (distance) P-C4' energy: -56.213 flat angles C4'-P-C4' energy: -73.214 flat angles P-C4'-P energy: -49.669 tors. eta vs tors. theta energy: -89.298 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: 114 Temperature: 1.000000 Total energy: -1061.182839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.182839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.182839 (E_RNA) where: Base-Base interactions energy: -731.048 where: short stacking energy: -336.629 Base-Backbone interact. energy: -0.894 local terms energy: -329.241454 where: bonds (distance) C4'-P energy: -56.549 bonds (distance) P-C4' energy: -50.850 flat angles C4'-P-C4' energy: -74.536 flat angles P-C4'-P energy: -42.173 tors. eta vs tors. theta energy: -105.134 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: 7 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -977.814902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.814902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.814902 (E_RNA) where: Base-Base interactions energy: -671.615 where: short stacking energy: -305.985 Base-Backbone interact. energy: -0.379 local terms energy: -305.820445 where: bonds (distance) C4'-P energy: -61.039 bonds (distance) P-C4' energy: -55.907 flat angles C4'-P-C4' energy: -64.250 flat angles P-C4'-P energy: -52.288 tors. eta vs tors. theta energy: -72.336 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: 114 Temperature: 1.100000 Total energy: -1020.692369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.692369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.692369 (E_RNA) where: Base-Base interactions energy: -709.135 where: short stacking energy: -305.284 Base-Backbone interact. energy: -1.029 local terms energy: -310.528131 where: bonds (distance) C4'-P energy: -53.934 bonds (distance) P-C4' energy: -65.500 flat angles C4'-P-C4' energy: -66.017 flat angles P-C4'-P energy: -41.506 tors. eta vs tors. theta energy: -83.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -846.007120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.007120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.007120 (E_RNA) where: Base-Base interactions energy: -561.140 where: short stacking energy: -248.166 Base-Backbone interact. energy: -0.114 local terms energy: -284.752744 where: bonds (distance) C4'-P energy: -52.140 bonds (distance) P-C4' energy: -61.550 flat angles C4'-P-C4' energy: -65.812 flat angles P-C4'-P energy: -40.247 tors. eta vs tors. theta energy: -65.004 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: 3 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -773.081952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.081952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.081952 (E_RNA) where: Base-Base interactions energy: -493.266 where: short stacking energy: -214.121 Base-Backbone interact. energy: -1.639 local terms energy: -278.177242 where: bonds (distance) C4'-P energy: -55.932 bonds (distance) P-C4' energy: -63.880 flat angles C4'-P-C4' energy: -64.504 flat angles P-C4'-P energy: -36.284 tors. eta vs tors. theta energy: -57.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -700.207055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.207055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.207055 (E_RNA) where: Base-Base interactions energy: -442.718 where: short stacking energy: -208.795 Base-Backbone interact. energy: -1.978 local terms energy: -255.510742 where: bonds (distance) C4'-P energy: -48.870 bonds (distance) P-C4' energy: -64.818 flat angles C4'-P-C4' energy: -55.742 flat angles P-C4'-P energy: -44.121 tors. eta vs tors. theta energy: -41.960 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: 9 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -400.483563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.483563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.483563 (E_RNA) where: Base-Base interactions energy: -222.398 where: short stacking energy: -132.843 Base-Backbone interact. energy: 7.046 local terms energy: -185.131946 where: bonds (distance) C4'-P energy: -53.472 bonds (distance) P-C4' energy: -51.274 flat angles C4'-P-C4' energy: -52.403 flat angles P-C4'-P energy: -25.934 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -442.882832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.882832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.882832 (E_RNA) where: Base-Base interactions energy: -239.870 where: short stacking energy: -132.715 Base-Backbone interact. energy: 1.934 local terms energy: -204.946621 where: bonds (distance) C4'-P energy: -49.499 bonds (distance) P-C4' energy: -56.277 flat angles C4'-P-C4' energy: -52.037 flat angles P-C4'-P energy: -38.858 tors. eta vs tors. theta energy: -8.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1144.045069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.045069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.045069 (E_RNA) where: Base-Base interactions energy: -783.662 where: short stacking energy: -325.833 Base-Backbone interact. energy: -3.791 local terms energy: -356.591900 where: bonds (distance) C4'-P energy: -70.660 bonds (distance) P-C4' energy: -70.919 flat angles C4'-P-C4' energy: -70.300 flat angles P-C4'-P energy: -54.266 tors. eta vs tors. theta energy: -90.448 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: 115 Temperature: 0.950000 Total energy: -1090.230943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.230943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.230943 (E_RNA) where: Base-Base interactions energy: -751.161 where: short stacking energy: -349.826 Base-Backbone interact. energy: -0.778 local terms energy: -338.291819 where: bonds (distance) C4'-P energy: -54.929 bonds (distance) P-C4' energy: -66.628 flat angles C4'-P-C4' energy: -71.950 flat angles P-C4'-P energy: -44.491 tors. eta vs tors. theta energy: -100.294 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: 10 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1079.219509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.219509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.219509 (E_RNA) where: Base-Base interactions energy: -761.907 where: short stacking energy: -336.719 Base-Backbone interact. energy: -1.007 local terms energy: -316.305285 where: bonds (distance) C4'-P energy: -59.313 bonds (distance) P-C4' energy: -51.960 flat angles C4'-P-C4' energy: -70.193 flat angles P-C4'-P energy: -44.904 tors. eta vs tors. theta energy: -89.934 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: 1 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1068.006921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.006921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.006921 (E_RNA) where: Base-Base interactions energy: -766.043 where: short stacking energy: -305.774 Base-Backbone interact. energy: 4.096 local terms energy: -306.060635 where: bonds (distance) C4'-P energy: -60.870 bonds (distance) P-C4' energy: -65.030 flat angles C4'-P-C4' energy: -67.981 flat angles P-C4'-P energy: -43.241 tors. eta vs tors. theta energy: -68.937 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: 7 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -910.504381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.504381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.504381 (E_RNA) where: Base-Base interactions energy: -613.592 where: short stacking energy: -273.770 Base-Backbone interact. energy: 0.196 local terms energy: -297.108708 where: bonds (distance) C4'-P energy: -52.612 bonds (distance) P-C4' energy: -65.589 flat angles C4'-P-C4' energy: -63.542 flat angles P-C4'-P energy: -45.930 tors. eta vs tors. theta energy: -69.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -847.343645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.343645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.343645 (E_RNA) where: Base-Base interactions energy: -582.793 where: short stacking energy: -236.509 Base-Backbone interact. energy: -0.189 local terms energy: -264.361307 where: bonds (distance) C4'-P energy: -44.495 bonds (distance) P-C4' energy: -59.263 flat angles C4'-P-C4' energy: -58.810 flat angles P-C4'-P energy: -46.283 tors. eta vs tors. theta energy: -55.510 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: 3 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -728.556061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.556061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.556061 (E_RNA) where: Base-Base interactions energy: -485.451 where: short stacking energy: -207.987 Base-Backbone interact. energy: -2.007 local terms energy: -241.098536 where: bonds (distance) C4'-P energy: -46.005 bonds (distance) P-C4' energy: -59.081 flat angles C4'-P-C4' energy: -54.482 flat angles P-C4'-P energy: -39.465 tors. eta vs tors. theta energy: -42.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -674.502550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.502550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.502550 (E_RNA) where: Base-Base interactions energy: -438.883 where: short stacking energy: -201.578 Base-Backbone interact. energy: -2.638 local terms energy: -232.982291 where: bonds (distance) C4'-P energy: -53.793 bonds (distance) P-C4' energy: -49.759 flat angles C4'-P-C4' energy: -56.214 flat angles P-C4'-P energy: -40.527 tors. eta vs tors. theta energy: -32.689 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: 9 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -411.945994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.945994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.945994 (E_RNA) where: Base-Base interactions energy: -220.179 where: short stacking energy: -127.046 Base-Backbone interact. energy: 1.066 local terms energy: -192.833604 where: bonds (distance) C4'-P energy: -54.469 bonds (distance) P-C4' energy: -61.046 flat angles C4'-P-C4' energy: -46.813 flat angles P-C4'-P energy: -30.670 tors. eta vs tors. theta energy: 0.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -410.033373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.033373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.033373 (E_RNA) where: Base-Base interactions energy: -227.712 where: short stacking energy: -126.440 Base-Backbone interact. energy: 3.813 local terms energy: -186.134123 where: bonds (distance) C4'-P energy: -53.573 bonds (distance) P-C4' energy: -53.562 flat angles C4'-P-C4' energy: -38.245 flat angles P-C4'-P energy: -32.034 tors. eta vs tors. theta energy: -8.721 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: 1, replica: 6 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1125.000002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.000002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.000002 (E_RNA) where: Base-Base interactions energy: -770.359 where: short stacking energy: -328.126 Base-Backbone interact. energy: -2.530 local terms energy: -352.110641 where: bonds (distance) C4'-P energy: -59.548 bonds (distance) P-C4' energy: -67.043 flat angles C4'-P-C4' energy: -77.145 flat angles P-C4'-P energy: -51.081 tors. eta vs tors. theta energy: -97.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1105.282391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.282391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.282391 (E_RNA) where: Base-Base interactions energy: -759.619 where: short stacking energy: -354.408 Base-Backbone interact. energy: -2.711 local terms energy: -342.952407 where: bonds (distance) C4'-P energy: -62.368 bonds (distance) P-C4' energy: -62.647 flat angles C4'-P-C4' energy: -70.338 flat angles P-C4'-P energy: -52.728 tors. eta vs tors. theta energy: -94.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1082.261249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.261249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.261249 (E_RNA) where: Base-Base interactions energy: -743.936 where: short stacking energy: -314.104 Base-Backbone interact. energy: -2.529 local terms energy: -335.797028 where: bonds (distance) C4'-P energy: -67.718 bonds (distance) P-C4' energy: -62.506 flat angles C4'-P-C4' energy: -69.524 flat angles P-C4'-P energy: -52.328 tors. eta vs tors. theta energy: -83.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1043.004602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.004602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.004602 (E_RNA) where: Base-Base interactions energy: -740.737 where: short stacking energy: -303.697 Base-Backbone interact. energy: -2.389 local terms energy: -299.878444 where: bonds (distance) C4'-P energy: -48.271 bonds (distance) P-C4' energy: -59.554 flat angles C4'-P-C4' energy: -72.856 flat angles P-C4'-P energy: -42.259 tors. eta vs tors. theta energy: -76.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -929.257578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.257578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.257578 (E_RNA) where: Base-Base interactions energy: -619.902 where: short stacking energy: -273.328 Base-Backbone interact. energy: 0.018 local terms energy: -309.373483 where: bonds (distance) C4'-P energy: -68.458 bonds (distance) P-C4' energy: -66.563 flat angles C4'-P-C4' energy: -63.416 flat angles P-C4'-P energy: -39.036 tors. eta vs tors. theta energy: -71.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -838.855436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.855436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.855436 (E_RNA) where: Base-Base interactions energy: -575.030 where: short stacking energy: -263.982 Base-Backbone interact. energy: -0.277 local terms energy: -263.548593 where: bonds (distance) C4'-P energy: -54.422 bonds (distance) P-C4' energy: -51.772 flat angles C4'-P-C4' energy: -55.945 flat angles P-C4'-P energy: -41.398 tors. eta vs tors. theta energy: -60.012 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: 3 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -747.958499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.958499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.958499 (E_RNA) where: Base-Base interactions energy: -508.765 where: short stacking energy: -246.471 Base-Backbone interact. energy: 4.001 local terms energy: -243.194551 where: bonds (distance) C4'-P energy: -51.060 bonds (distance) P-C4' energy: -45.634 flat angles C4'-P-C4' energy: -59.262 flat angles P-C4'-P energy: -30.486 tors. eta vs tors. theta energy: -56.753 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: 8 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -637.577550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.577550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.577550 (E_RNA) where: Base-Base interactions energy: -425.055 where: short stacking energy: -202.847 Base-Backbone interact. energy: 0.547 local terms energy: -213.069704 where: bonds (distance) C4'-P energy: -56.660 bonds (distance) P-C4' energy: -45.162 flat angles C4'-P-C4' energy: -44.989 flat angles P-C4'-P energy: -38.019 tors. eta vs tors. theta energy: -28.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -461.087478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.087478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.087478 (E_RNA) where: Base-Base interactions energy: -229.159 where: short stacking energy: -133.372 Base-Backbone interact. energy: -0.547 local terms energy: -231.380698 where: bonds (distance) C4'-P energy: -62.294 bonds (distance) P-C4' energy: -61.003 flat angles C4'-P-C4' energy: -52.034 flat angles P-C4'-P energy: -29.151 tors. eta vs tors. theta energy: -26.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -363.264229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.264229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.264229 (E_RNA) where: Base-Base interactions energy: -186.646 where: short stacking energy: -98.846 Base-Backbone interact. energy: 0.829 local terms energy: -177.447187 where: bonds (distance) C4'-P energy: -50.521 bonds (distance) P-C4' energy: -58.505 flat angles C4'-P-C4' energy: -41.641 flat angles P-C4'-P energy: -22.939 tors. eta vs tors. theta energy: -3.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1142.609135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.609135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.609135 (E_RNA) where: Base-Base interactions energy: -800.797 where: short stacking energy: -340.882 Base-Backbone interact. energy: -1.359 local terms energy: -340.453072 where: bonds (distance) C4'-P energy: -62.812 bonds (distance) P-C4' energy: -61.196 flat angles C4'-P-C4' energy: -69.858 flat angles P-C4'-P energy: -51.112 tors. eta vs tors. theta energy: -95.475 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: 10 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1099.371153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.371153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.371153 (E_RNA) where: Base-Base interactions energy: -768.903 where: short stacking energy: -331.624 Base-Backbone interact. energy: -0.498 local terms energy: -329.970786 where: bonds (distance) C4'-P energy: -49.996 bonds (distance) P-C4' energy: -73.765 flat angles C4'-P-C4' energy: -72.009 flat angles P-C4'-P energy: -47.042 tors. eta vs tors. theta energy: -87.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1063.986899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.986899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.986899 (E_RNA) where: Base-Base interactions energy: -728.025 where: short stacking energy: -324.375 Base-Backbone interact. energy: -0.859 local terms energy: -335.103003 where: bonds (distance) C4'-P energy: -52.968 bonds (distance) P-C4' energy: -65.266 flat angles C4'-P-C4' energy: -68.735 flat angles P-C4'-P energy: -49.227 tors. eta vs tors. theta energy: -98.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1076.562874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.562874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.562874 (E_RNA) where: Base-Base interactions energy: -772.010 where: short stacking energy: -307.140 Base-Backbone interact. energy: -2.768 local terms energy: -301.784712 where: bonds (distance) C4'-P energy: -57.788 bonds (distance) P-C4' energy: -60.884 flat angles C4'-P-C4' energy: -67.287 flat angles P-C4'-P energy: -41.616 tors. eta vs tors. theta energy: -74.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -924.230719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.230719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.230719 (E_RNA) where: Base-Base interactions energy: -622.462 where: short stacking energy: -281.521 Base-Backbone interact. energy: -0.160 local terms energy: -301.608440 where: bonds (distance) C4'-P energy: -56.965 bonds (distance) P-C4' energy: -62.434 flat angles C4'-P-C4' energy: -64.161 flat angles P-C4'-P energy: -36.956 tors. eta vs tors. theta energy: -81.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -885.423565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.423565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.423565 (E_RNA) where: Base-Base interactions energy: -612.650 where: short stacking energy: -283.789 Base-Backbone interact. energy: -2.012 local terms energy: -270.760744 where: bonds (distance) C4'-P energy: -53.392 bonds (distance) P-C4' energy: -48.972 flat angles C4'-P-C4' energy: -60.167 flat angles P-C4'-P energy: -39.915 tors. eta vs tors. theta energy: -68.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -742.535950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.535950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.535950 (E_RNA) where: Base-Base interactions energy: -482.669 where: short stacking energy: -215.577 Base-Backbone interact. energy: -0.440 local terms energy: -259.427039 where: bonds (distance) C4'-P energy: -54.696 bonds (distance) P-C4' energy: -62.053 flat angles C4'-P-C4' energy: -68.435 flat angles P-C4'-P energy: -28.315 tors. eta vs tors. theta energy: -45.928 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: 8 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -650.776141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.776141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.776141 (E_RNA) where: Base-Base interactions energy: -433.225 where: short stacking energy: -193.693 Base-Backbone interact. energy: -0.729 local terms energy: -216.822183 where: bonds (distance) C4'-P energy: -46.667 bonds (distance) P-C4' energy: -48.128 flat angles C4'-P-C4' energy: -54.954 flat angles P-C4'-P energy: -34.955 tors. eta vs tors. theta energy: -32.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -462.101733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.101733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.101733 (E_RNA) where: Base-Base interactions energy: -250.479 where: short stacking energy: -135.247 Base-Backbone interact. energy: -0.685 local terms energy: -210.938386 where: bonds (distance) C4'-P energy: -48.463 bonds (distance) P-C4' energy: -65.810 flat angles C4'-P-C4' energy: -47.551 flat angles P-C4'-P energy: -25.913 tors. eta vs tors. theta energy: -23.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -401.293991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.293991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.293991 (E_RNA) where: Base-Base interactions energy: -213.172 where: short stacking energy: -141.071 Base-Backbone interact. energy: -0.693 local terms energy: -187.428658 where: bonds (distance) C4'-P energy: -54.345 bonds (distance) P-C4' energy: -51.556 flat angles C4'-P-C4' energy: -41.317 flat angles P-C4'-P energy: -25.994 tors. eta vs tors. theta energy: -14.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1137.943529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.943529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.943529 (E_RNA) where: Base-Base interactions energy: -788.585 where: short stacking energy: -334.369 Base-Backbone interact. energy: -2.607 local terms energy: -346.750906 where: bonds (distance) C4'-P energy: -67.780 bonds (distance) P-C4' energy: -72.351 flat angles C4'-P-C4' energy: -73.127 flat angles P-C4'-P energy: -46.023 tors. eta vs tors. theta energy: -87.469 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: 10 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1105.835059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.835059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.835059 (E_RNA) where: Base-Base interactions energy: -756.248 where: short stacking energy: -335.252 Base-Backbone interact. energy: -1.505 local terms energy: -348.082398 where: bonds (distance) C4'-P energy: -71.504 bonds (distance) P-C4' energy: -67.351 flat angles C4'-P-C4' energy: -67.712 flat angles P-C4'-P energy: -52.848 tors. eta vs tors. theta energy: -88.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1056.062414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.062414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.062414 (E_RNA) where: Base-Base interactions energy: -714.983 where: short stacking energy: -314.358 Base-Backbone interact. energy: -1.102 local terms energy: -339.977663 where: bonds (distance) C4'-P energy: -63.164 bonds (distance) P-C4' energy: -66.390 flat angles C4'-P-C4' energy: -70.748 flat angles P-C4'-P energy: -48.119 tors. eta vs tors. theta energy: -91.558 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: 1 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1066.840549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.840549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.840549 (E_RNA) where: Base-Base interactions energy: -745.022 where: short stacking energy: -292.825 Base-Backbone interact. energy: 1.285 local terms energy: -323.103450 where: bonds (distance) C4'-P energy: -68.386 bonds (distance) P-C4' energy: -62.449 flat angles C4'-P-C4' energy: -70.811 flat angles P-C4'-P energy: -48.120 tors. eta vs tors. theta energy: -73.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -886.113812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.113812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.113812 (E_RNA) where: Base-Base interactions energy: -611.555 where: short stacking energy: -260.368 Base-Backbone interact. energy: 4.281 local terms energy: -278.840351 where: bonds (distance) C4'-P energy: -54.860 bonds (distance) P-C4' energy: -52.100 flat angles C4'-P-C4' energy: -73.333 flat angles P-C4'-P energy: -41.911 tors. eta vs tors. theta energy: -56.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -835.044445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.044445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.044445 (E_RNA) where: Base-Base interactions energy: -545.593 where: short stacking energy: -267.472 Base-Backbone interact. energy: -1.939 local terms energy: -287.511974 where: bonds (distance) C4'-P energy: -64.832 bonds (distance) P-C4' energy: -57.184 flat angles C4'-P-C4' energy: -68.472 flat angles P-C4'-P energy: -23.281 tors. eta vs tors. theta energy: -73.743 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: 118 Temperature: 1.200000 Total energy: -676.231721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.231721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.231721 (E_RNA) where: Base-Base interactions energy: -416.573 where: short stacking energy: -197.431 Base-Backbone interact. energy: -0.894 local terms energy: -258.764643 where: bonds (distance) C4'-P energy: -59.925 bonds (distance) P-C4' energy: -61.912 flat angles C4'-P-C4' energy: -54.298 flat angles P-C4'-P energy: -44.713 tors. eta vs tors. theta energy: -37.916 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: 3 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -730.018878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.018878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.018878 (E_RNA) where: Base-Base interactions energy: -485.261 where: short stacking energy: -221.732 Base-Backbone interact. energy: 4.352 local terms energy: -249.109967 where: bonds (distance) C4'-P energy: -51.457 bonds (distance) P-C4' energy: -57.121 flat angles C4'-P-C4' energy: -63.772 flat angles P-C4'-P energy: -25.549 tors. eta vs tors. theta energy: -51.210 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: 2 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -447.710965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.710965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.710965 (E_RNA) where: Base-Base interactions energy: -252.650 where: short stacking energy: -147.612 Base-Backbone interact. energy: -0.863 local terms energy: -194.197667 where: bonds (distance) C4'-P energy: -41.271 bonds (distance) P-C4' energy: -50.604 flat angles C4'-P-C4' energy: -50.139 flat angles P-C4'-P energy: -36.492 tors. eta vs tors. theta energy: -15.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -386.738757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.738757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.738757 (E_RNA) where: Base-Base interactions energy: -223.992 where: short stacking energy: -111.127 Base-Backbone interact. energy: 1.760 local terms energy: -164.506108 where: bonds (distance) C4'-P energy: -50.348 bonds (distance) P-C4' energy: -47.687 flat angles C4'-P-C4' energy: -46.903 flat angles P-C4'-P energy: -20.485 tors. eta vs tors. theta energy: 0.917 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: 6 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1147.438875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.438875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.438875 (E_RNA) where: Base-Base interactions energy: -798.853 where: short stacking energy: -346.552 Base-Backbone interact. energy: 1.197 local terms energy: -349.782882 where: bonds (distance) C4'-P energy: -69.176 bonds (distance) P-C4' energy: -60.956 flat angles C4'-P-C4' energy: -76.644 flat angles P-C4'-P energy: -47.224 tors. eta vs tors. theta energy: -95.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1116.299164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.299164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.299164 (E_RNA) where: Base-Base interactions energy: -774.627 where: short stacking energy: -351.302 Base-Backbone interact. energy: -1.588 local terms energy: -340.084065 where: bonds (distance) C4'-P energy: -67.519 bonds (distance) P-C4' energy: -63.627 flat angles C4'-P-C4' energy: -64.764 flat angles P-C4'-P energy: -51.114 tors. eta vs tors. theta energy: -93.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1089.986284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.986284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.986284 (E_RNA) where: Base-Base interactions energy: -763.071 where: short stacking energy: -341.831 Base-Backbone interact. energy: 0.018 local terms energy: -326.932762 where: bonds (distance) C4'-P energy: -63.905 bonds (distance) P-C4' energy: -55.347 flat angles C4'-P-C4' energy: -64.877 flat angles P-C4'-P energy: -45.696 tors. eta vs tors. theta energy: -97.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1086.850749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.850749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.850749 (E_RNA) where: Base-Base interactions energy: -776.237 where: short stacking energy: -305.523 Base-Backbone interact. energy: 0.792 local terms energy: -311.406058 where: bonds (distance) C4'-P energy: -65.459 bonds (distance) P-C4' energy: -54.378 flat angles C4'-P-C4' energy: -70.105 flat angles P-C4'-P energy: -36.689 tors. eta vs tors. theta energy: -84.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -927.013820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.013820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.013820 (E_RNA) where: Base-Base interactions energy: -634.602 where: short stacking energy: -287.756 Base-Backbone interact. energy: -2.427 local terms energy: -289.984911 where: bonds (distance) C4'-P energy: -55.094 bonds (distance) P-C4' energy: -50.022 flat angles C4'-P-C4' energy: -67.024 flat angles P-C4'-P energy: -47.716 tors. eta vs tors. theta energy: -70.129 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: 119 Temperature: 1.150000 Total energy: -843.388741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.388741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.388741 (E_RNA) where: Base-Base interactions energy: -566.853 where: short stacking energy: -280.883 Base-Backbone interact. energy: -0.331 local terms energy: -276.204729 where: bonds (distance) C4'-P energy: -52.471 bonds (distance) P-C4' energy: -50.848 flat angles C4'-P-C4' energy: -68.083 flat angles P-C4'-P energy: -36.575 tors. eta vs tors. theta energy: -68.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -711.061645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.061645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.061645 (E_RNA) where: Base-Base interactions energy: -441.327 where: short stacking energy: -220.985 Base-Backbone interact. energy: -1.953 local terms energy: -267.782272 where: bonds (distance) C4'-P energy: -55.186 bonds (distance) P-C4' energy: -63.496 flat angles C4'-P-C4' energy: -69.435 flat angles P-C4'-P energy: -29.925 tors. eta vs tors. theta energy: -49.740 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: 3 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -665.766778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.766778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.766778 (E_RNA) where: Base-Base interactions energy: -447.511 where: short stacking energy: -217.276 Base-Backbone interact. energy: 0.790 local terms energy: -219.046249 where: bonds (distance) C4'-P energy: -48.357 bonds (distance) P-C4' energy: -56.595 flat angles C4'-P-C4' energy: -42.362 flat angles P-C4'-P energy: -25.953 tors. eta vs tors. theta energy: -45.779 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: 2 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -425.276861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.276861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.276861 (E_RNA) where: Base-Base interactions energy: -218.834 where: short stacking energy: -127.936 Base-Backbone interact. energy: 0.154 local terms energy: -206.597526 where: bonds (distance) C4'-P energy: -44.111 bonds (distance) P-C4' energy: -58.107 flat angles C4'-P-C4' energy: -59.436 flat angles P-C4'-P energy: -31.422 tors. eta vs tors. theta energy: -13.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -400.714147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.714147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.714147 (E_RNA) where: Base-Base interactions energy: -218.424 where: short stacking energy: -128.239 Base-Backbone interact. energy: -0.708 local terms energy: -181.581384 where: bonds (distance) C4'-P energy: -50.453 bonds (distance) P-C4' energy: -46.260 flat angles C4'-P-C4' energy: -51.045 flat angles P-C4'-P energy: -30.216 tors. eta vs tors. theta energy: -3.608 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: 1, replica: 10 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1135.281183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.281183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.281183 (E_RNA) where: Base-Base interactions energy: -791.682 where: short stacking energy: -350.372 Base-Backbone interact. energy: -2.748 local terms energy: -340.850720 where: bonds (distance) C4'-P energy: -53.978 bonds (distance) P-C4' energy: -66.456 flat angles C4'-P-C4' energy: -77.967 flat angles P-C4'-P energy: -48.824 tors. eta vs tors. theta energy: -93.625 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: 120 Temperature: 0.950000 Total energy: -1117.843023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.843023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.843023 (E_RNA) where: Base-Base interactions energy: -771.920 where: short stacking energy: -328.120 Base-Backbone interact. energy: -3.577 local terms energy: -342.346123 where: bonds (distance) C4'-P energy: -51.944 bonds (distance) P-C4' energy: -68.332 flat angles C4'-P-C4' energy: -79.484 flat angles P-C4'-P energy: -51.287 tors. eta vs tors. theta energy: -91.300 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: 1 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1078.921334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.921334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.921334 (E_RNA) where: Base-Base interactions energy: -772.567 where: short stacking energy: -315.681 Base-Backbone interact. energy: -3.216 local terms energy: -303.137705 where: bonds (distance) C4'-P energy: -62.984 bonds (distance) P-C4' energy: -53.646 flat angles C4'-P-C4' energy: -61.034 flat angles P-C4'-P energy: -46.559 tors. eta vs tors. theta energy: -78.915 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: 120 Temperature: 1.050000 Total energy: -1064.112286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.112286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.112286 (E_RNA) where: Base-Base interactions energy: -746.590 where: short stacking energy: -306.132 Base-Backbone interact. energy: 0.152 local terms energy: -317.674387 where: bonds (distance) C4'-P energy: -58.103 bonds (distance) P-C4' energy: -62.326 flat angles C4'-P-C4' energy: -66.636 flat angles P-C4'-P energy: -46.141 tors. eta vs tors. theta energy: -84.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -943.237600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.237600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.237600 (E_RNA) where: Base-Base interactions energy: -647.716 where: short stacking energy: -264.302 Base-Backbone interact. energy: 0.449 local terms energy: -295.970260 where: bonds (distance) C4'-P energy: -58.940 bonds (distance) P-C4' energy: -63.699 flat angles C4'-P-C4' energy: -64.397 flat angles P-C4'-P energy: -47.543 tors. eta vs tors. theta energy: -61.392 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: 6, replica: 5 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -852.407941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.407941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.407941 (E_RNA) where: Base-Base interactions energy: -560.314 where: short stacking energy: -290.183 Base-Backbone interact. energy: -0.720 local terms energy: -291.373898 where: bonds (distance) C4'-P energy: -49.158 bonds (distance) P-C4' energy: -64.252 flat angles C4'-P-C4' energy: -58.883 flat angles P-C4'-P energy: -39.250 tors. eta vs tors. theta energy: -79.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -668.085565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.085565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.085565 (E_RNA) where: Base-Base interactions energy: -424.264 where: short stacking energy: -207.651 Base-Backbone interact. energy: 0.065 local terms energy: -243.886184 where: bonds (distance) C4'-P energy: -54.898 bonds (distance) P-C4' energy: -52.989 flat angles C4'-P-C4' energy: -58.494 flat angles P-C4'-P energy: -36.679 tors. eta vs tors. theta energy: -40.826 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: 3 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -709.178474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.178474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.178474 (E_RNA) where: Base-Base interactions energy: -462.437 where: short stacking energy: -226.743 Base-Backbone interact. energy: -1.114 local terms energy: -245.627082 where: bonds (distance) C4'-P energy: -51.026 bonds (distance) P-C4' energy: -62.922 flat angles C4'-P-C4' energy: -49.190 flat angles P-C4'-P energy: -31.812 tors. eta vs tors. theta energy: -50.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -426.563556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.563556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.563556 (E_RNA) where: Base-Base interactions energy: -237.559 where: short stacking energy: -152.878 Base-Backbone interact. energy: -0.856 local terms energy: -188.148063 where: bonds (distance) C4'-P energy: -49.573 bonds (distance) P-C4' energy: -51.652 flat angles C4'-P-C4' energy: -45.006 flat angles P-C4'-P energy: -32.654 tors. eta vs tors. theta energy: -9.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -388.591019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.591019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.591019 (E_RNA) where: Base-Base interactions energy: -199.678 where: short stacking energy: -101.137 Base-Backbone interact. energy: -1.831 local terms energy: -187.082805 where: bonds (distance) C4'-P energy: -58.114 bonds (distance) P-C4' energy: -64.394 flat angles C4'-P-C4' energy: -41.213 flat angles P-C4'-P energy: -27.689 tors. eta vs tors. theta energy: 4.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1138.605741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.605741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.605741 (E_RNA) where: Base-Base interactions energy: -799.131 where: short stacking energy: -357.343 Base-Backbone interact. energy: -1.189 local terms energy: -338.286449 where: bonds (distance) C4'-P energy: -60.534 bonds (distance) P-C4' energy: -68.766 flat angles C4'-P-C4' energy: -67.379 flat angles P-C4'-P energy: -46.588 tors. eta vs tors. theta energy: -95.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1120.857950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.857950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.857950 (E_RNA) where: Base-Base interactions energy: -799.640 where: short stacking energy: -331.331 Base-Backbone interact. energy: -0.957 local terms energy: -320.260404 where: bonds (distance) C4'-P energy: -64.014 bonds (distance) P-C4' energy: -54.595 flat angles C4'-P-C4' energy: -78.813 flat angles P-C4'-P energy: -37.682 tors. eta vs tors. theta energy: -85.157 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: 1 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1094.061522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.061522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.061522 (E_RNA) where: Base-Base interactions energy: -753.509 where: short stacking energy: -310.174 Base-Backbone interact. energy: -1.141 local terms energy: -339.411539 where: bonds (distance) C4'-P energy: -65.981 bonds (distance) P-C4' energy: -73.897 flat angles C4'-P-C4' energy: -73.350 flat angles P-C4'-P energy: -44.038 tors. eta vs tors. theta energy: -82.145 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: 4, replica: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1096.193358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.193358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.193358 (E_RNA) where: Base-Base interactions energy: -774.793 where: short stacking energy: -347.333 Base-Backbone interact. energy: -1.831 local terms energy: -319.569495 where: bonds (distance) C4'-P energy: -57.004 bonds (distance) P-C4' energy: -54.114 flat angles C4'-P-C4' energy: -64.584 flat angles P-C4'-P energy: -41.935 tors. eta vs tors. theta energy: -101.932 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: 7 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -913.770852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.770852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.770852 (E_RNA) where: Base-Base interactions energy: -635.814 where: short stacking energy: -262.239 Base-Backbone interact. energy: 1.360 local terms energy: -279.317046 where: bonds (distance) C4'-P energy: -51.933 bonds (distance) P-C4' energy: -59.158 flat angles C4'-P-C4' energy: -62.970 flat angles P-C4'-P energy: -45.287 tors. eta vs tors. theta energy: -59.970 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: 5 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -833.534792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.534792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.534792 (E_RNA) where: Base-Base interactions energy: -557.867 where: short stacking energy: -259.368 Base-Backbone interact. energy: -1.274 local terms energy: -274.393060 where: bonds (distance) C4'-P energy: -55.023 bonds (distance) P-C4' energy: -49.892 flat angles C4'-P-C4' energy: -57.901 flat angles P-C4'-P energy: -43.574 tors. eta vs tors. theta energy: -68.003 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: 8 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -673.534034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.534034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.534034 (E_RNA) where: Base-Base interactions energy: -423.546 where: short stacking energy: -210.046 Base-Backbone interact. energy: 0.604 local terms energy: -250.592027 where: bonds (distance) C4'-P energy: -52.065 bonds (distance) P-C4' energy: -63.441 flat angles C4'-P-C4' energy: -58.536 flat angles P-C4'-P energy: -34.669 tors. eta vs tors. theta energy: -41.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -687.074033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.074033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.074033 (E_RNA) where: Base-Base interactions energy: -433.881 where: short stacking energy: -201.914 Base-Backbone interact. energy: -1.649 local terms energy: -251.543294 where: bonds (distance) C4'-P energy: -42.674 bonds (distance) P-C4' energy: -60.300 flat angles C4'-P-C4' energy: -54.293 flat angles P-C4'-P energy: -41.251 tors. eta vs tors. theta energy: -53.026 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: 2 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -418.030837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.030837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.030837 (E_RNA) where: Base-Base interactions energy: -224.652 where: short stacking energy: -130.164 Base-Backbone interact. energy: -2.612 local terms energy: -190.767000 where: bonds (distance) C4'-P energy: -52.446 bonds (distance) P-C4' energy: -64.803 flat angles C4'-P-C4' energy: -39.246 flat angles P-C4'-P energy: -28.591 tors. eta vs tors. theta energy: -5.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -382.897334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.897334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.897334 (E_RNA) where: Base-Base interactions energy: -189.421 where: short stacking energy: -108.965 Base-Backbone interact. energy: -1.544 local terms energy: -191.931484 where: bonds (distance) C4'-P energy: -52.788 bonds (distance) P-C4' energy: -55.792 flat angles C4'-P-C4' energy: -52.825 flat angles P-C4'-P energy: -22.570 tors. eta vs tors. theta energy: -7.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1130.042458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.042458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.042458 (E_RNA) where: Base-Base interactions energy: -784.736 where: short stacking energy: -357.426 Base-Backbone interact. energy: -1.796 local terms energy: -343.510500 where: bonds (distance) C4'-P energy: -60.481 bonds (distance) P-C4' energy: -60.643 flat angles C4'-P-C4' energy: -82.193 flat angles P-C4'-P energy: -49.094 tors. eta vs tors. theta energy: -91.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1135.718514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.718514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.718514 (E_RNA) where: Base-Base interactions energy: -786.554 where: short stacking energy: -332.266 Base-Backbone interact. energy: -4.691 local terms energy: -344.472764 where: bonds (distance) C4'-P energy: -70.967 bonds (distance) P-C4' energy: -69.096 flat angles C4'-P-C4' energy: -68.720 flat angles P-C4'-P energy: -45.210 tors. eta vs tors. theta energy: -90.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1099.634552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.634552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.634552 (E_RNA) where: Base-Base interactions energy: -780.791 where: short stacking energy: -303.896 Base-Backbone interact. energy: -1.178 local terms energy: -317.665483 where: bonds (distance) C4'-P energy: -70.529 bonds (distance) P-C4' energy: -60.407 flat angles C4'-P-C4' energy: -66.139 flat angles P-C4'-P energy: -50.320 tors. eta vs tors. theta energy: -70.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1122.415602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.415602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.415602 (E_RNA) where: Base-Base interactions energy: -768.692 where: short stacking energy: -354.804 Base-Backbone interact. energy: -2.742 local terms energy: -350.981243 where: bonds (distance) C4'-P energy: -60.597 bonds (distance) P-C4' energy: -63.999 flat angles C4'-P-C4' energy: -74.277 flat angles P-C4'-P energy: -48.745 tors. eta vs tors. theta energy: -103.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -959.323680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.323680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.323680 (E_RNA) where: Base-Base interactions energy: -650.445 where: short stacking energy: -289.345 Base-Backbone interact. energy: 4.251 local terms energy: -313.129360 where: bonds (distance) C4'-P energy: -66.016 bonds (distance) P-C4' energy: -55.081 flat angles C4'-P-C4' energy: -65.683 flat angles P-C4'-P energy: -45.738 tors. eta vs tors. theta energy: -80.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -812.763702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.763702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.763702 (E_RNA) where: Base-Base interactions energy: -530.518 where: short stacking energy: -258.416 Base-Backbone interact. energy: -1.244 local terms energy: -281.001598 where: bonds (distance) C4'-P energy: -55.676 bonds (distance) P-C4' energy: -61.870 flat angles C4'-P-C4' energy: -59.008 flat angles P-C4'-P energy: -43.044 tors. eta vs tors. theta energy: -61.403 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: 7, replica: 3 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -645.255904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.255904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.255904 (E_RNA) where: Base-Base interactions energy: -404.058 where: short stacking energy: -191.150 Base-Backbone interact. energy: -0.981 local terms energy: -240.216923 where: bonds (distance) C4'-P energy: -61.447 bonds (distance) P-C4' energy: -54.226 flat angles C4'-P-C4' energy: -45.004 flat angles P-C4'-P energy: -44.661 tors. eta vs tors. theta energy: -34.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -633.288053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.288053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.288053 (E_RNA) where: Base-Base interactions energy: -379.079 where: short stacking energy: -189.204 Base-Backbone interact. energy: -0.499 local terms energy: -253.710228 where: bonds (distance) C4'-P energy: -55.367 bonds (distance) P-C4' energy: -59.866 flat angles C4'-P-C4' energy: -59.585 flat angles P-C4'-P energy: -44.131 tors. eta vs tors. theta energy: -34.761 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: 9, replica: 2 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -446.997347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.997347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.997347 (E_RNA) where: Base-Base interactions energy: -255.567 where: short stacking energy: -103.014 Base-Backbone interact. energy: 1.309 local terms energy: -192.739355 where: bonds (distance) C4'-P energy: -48.699 bonds (distance) P-C4' energy: -60.204 flat angles C4'-P-C4' energy: -46.194 flat angles P-C4'-P energy: -37.953 tors. eta vs tors. theta energy: 0.311 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: 9 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -382.865261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.865261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.865261 (E_RNA) where: Base-Base interactions energy: -192.236 where: short stacking energy: -119.866 Base-Backbone interact. energy: 1.631 local terms energy: -192.260070 where: bonds (distance) C4'-P energy: -49.800 bonds (distance) P-C4' energy: -56.963 flat angles C4'-P-C4' energy: -57.009 flat angles P-C4'-P energy: -21.675 tors. eta vs tors. theta energy: -6.813 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: 10 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1166.378093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.378093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.378093 (E_RNA) where: Base-Base interactions energy: -806.286 where: short stacking energy: -340.818 Base-Backbone interact. energy: -2.532 local terms energy: -357.559838 where: bonds (distance) C4'-P energy: -64.789 bonds (distance) P-C4' energy: -74.042 flat angles C4'-P-C4' energy: -68.028 flat angles P-C4'-P energy: -53.933 tors. eta vs tors. theta energy: -96.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1118.652256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.652256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.652256 (E_RNA) where: Base-Base interactions energy: -771.435 where: short stacking energy: -336.587 Base-Backbone interact. energy: -1.062 local terms energy: -346.155194 where: bonds (distance) C4'-P energy: -62.909 bonds (distance) P-C4' energy: -68.536 flat angles C4'-P-C4' energy: -70.870 flat angles P-C4'-P energy: -49.265 tors. eta vs tors. theta energy: -94.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1079.054459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.054459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.054459 (E_RNA) where: Base-Base interactions energy: -754.438 where: short stacking energy: -307.013 Base-Backbone interact. energy: -1.658 local terms energy: -322.958235 where: bonds (distance) C4'-P energy: -60.100 bonds (distance) P-C4' energy: -61.455 flat angles C4'-P-C4' energy: -72.227 flat angles P-C4'-P energy: -48.016 tors. eta vs tors. theta energy: -81.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1127.721870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.721870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.721870 (E_RNA) where: Base-Base interactions energy: -779.661 where: short stacking energy: -347.513 Base-Backbone interact. energy: 0.878 local terms energy: -348.939665 where: bonds (distance) C4'-P energy: -65.858 bonds (distance) P-C4' energy: -53.165 flat angles C4'-P-C4' energy: -74.771 flat angles P-C4'-P energy: -52.799 tors. eta vs tors. theta energy: -102.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -924.709914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.709914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.709914 (E_RNA) where: Base-Base interactions energy: -625.127 where: short stacking energy: -273.764 Base-Backbone interact. energy: -0.891 local terms energy: -298.691440 where: bonds (distance) C4'-P energy: -59.560 bonds (distance) P-C4' energy: -55.661 flat angles C4'-P-C4' energy: -72.638 flat angles P-C4'-P energy: -38.920 tors. eta vs tors. theta energy: -71.913 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: 5 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -793.817610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.817610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.817610 (E_RNA) where: Base-Base interactions energy: -501.960 where: short stacking energy: -242.772 Base-Backbone interact. energy: -1.208 local terms energy: -290.649680 where: bonds (distance) C4'-P energy: -52.806 bonds (distance) P-C4' energy: -65.653 flat angles C4'-P-C4' energy: -66.265 flat angles P-C4'-P energy: -44.347 tors. eta vs tors. theta energy: -61.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -713.808565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.808565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.808565 (E_RNA) where: Base-Base interactions energy: -456.479 where: short stacking energy: -210.195 Base-Backbone interact. energy: -0.696 local terms energy: -256.633801 where: bonds (distance) C4'-P energy: -60.830 bonds (distance) P-C4' energy: -64.903 flat angles C4'-P-C4' energy: -55.205 flat angles P-C4'-P energy: -38.534 tors. eta vs tors. theta energy: -37.162 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: 8, replica: 8 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -588.281097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.281097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.281097 (E_RNA) where: Base-Base interactions energy: -364.897 where: short stacking energy: -200.572 Base-Backbone interact. energy: -0.979 local terms energy: -222.405007 where: bonds (distance) C4'-P energy: -55.395 bonds (distance) P-C4' energy: -56.719 flat angles C4'-P-C4' energy: -46.921 flat angles P-C4'-P energy: -27.976 tors. eta vs tors. theta energy: -35.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -509.449886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.449886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.449886 (E_RNA) where: Base-Base interactions energy: -312.426 where: short stacking energy: -155.928 Base-Backbone interact. energy: 1.878 local terms energy: -198.902152 where: bonds (distance) C4'-P energy: -45.349 bonds (distance) P-C4' energy: -50.009 flat angles C4'-P-C4' energy: -53.459 flat angles P-C4'-P energy: -37.268 tors. eta vs tors. theta energy: -12.818 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: 10, replica: 9 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -392.325585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.325585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.325585 (E_RNA) where: Base-Base interactions energy: -197.295 where: short stacking energy: -121.621 Base-Backbone interact. energy: -0.500 local terms energy: -194.529947 where: bonds (distance) C4'-P energy: -48.196 bonds (distance) P-C4' energy: -54.719 flat angles C4'-P-C4' energy: -57.868 flat angles P-C4'-P energy: -25.521 tors. eta vs tors. theta energy: -8.227 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: 6 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1141.540009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.540009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.540009 (E_RNA) where: Base-Base interactions energy: -786.626 where: short stacking energy: -349.060 Base-Backbone interact. energy: -3.305 local terms energy: -351.608897 where: bonds (distance) C4'-P energy: -65.476 bonds (distance) P-C4' energy: -64.850 flat angles C4'-P-C4' energy: -71.629 flat angles P-C4'-P energy: -52.213 tors. eta vs tors. theta energy: -97.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1138.558832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.558832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.558832 (E_RNA) where: Base-Base interactions energy: -802.975 where: short stacking energy: -352.176 Base-Backbone interact. energy: 0.293 local terms energy: -335.877332 where: bonds (distance) C4'-P energy: -56.131 bonds (distance) P-C4' energy: -61.699 flat angles C4'-P-C4' energy: -73.436 flat angles P-C4'-P energy: -53.600 tors. eta vs tors. theta energy: -91.013 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: 3, replica: 1 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1105.044630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.044630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.044630 (E_RNA) where: Base-Base interactions energy: -795.795 where: short stacking energy: -309.671 Base-Backbone interact. energy: -1.438 local terms energy: -307.811077 where: bonds (distance) C4'-P energy: -55.032 bonds (distance) P-C4' energy: -69.945 flat angles C4'-P-C4' energy: -68.736 flat angles P-C4'-P energy: -34.633 tors. eta vs tors. theta energy: -79.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1084.122766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.122766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.122766 (E_RNA) where: Base-Base interactions energy: -764.704 where: short stacking energy: -341.019 Base-Backbone interact. energy: -1.328 local terms energy: -318.090179 where: bonds (distance) C4'-P energy: -59.469 bonds (distance) P-C4' energy: -54.220 flat angles C4'-P-C4' energy: -63.690 flat angles P-C4'-P energy: -46.305 tors. eta vs tors. theta energy: -94.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -926.126294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.126294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.126294 (E_RNA) where: Base-Base interactions energy: -630.189 where: short stacking energy: -273.665 Base-Backbone interact. energy: 5.808 local terms energy: -301.745950 where: bonds (distance) C4'-P energy: -56.859 bonds (distance) P-C4' energy: -64.412 flat angles C4'-P-C4' energy: -59.240 flat angles P-C4'-P energy: -49.484 tors. eta vs tors. theta energy: -71.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -827.420549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.420549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.420549 (E_RNA) where: Base-Base interactions energy: -560.402 where: short stacking energy: -294.780 Base-Backbone interact. energy: -1.069 local terms energy: -265.949290 where: bonds (distance) C4'-P energy: -43.712 bonds (distance) P-C4' energy: -50.080 flat angles C4'-P-C4' energy: -59.447 flat angles P-C4'-P energy: -39.549 tors. eta vs tors. theta energy: -73.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -690.337666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.337666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.337666 (E_RNA) where: Base-Base interactions energy: -462.685 where: short stacking energy: -214.822 Base-Backbone interact. energy: 0.489 local terms energy: -228.142242 where: bonds (distance) C4'-P energy: -40.912 bonds (distance) P-C4' energy: -52.579 flat angles C4'-P-C4' energy: -58.162 flat angles P-C4'-P energy: -35.527 tors. eta vs tors. theta energy: -40.963 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: 124 Temperature: 1.250000 Total energy: -588.316852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.316852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.316852 (E_RNA) where: Base-Base interactions energy: -358.965 where: short stacking energy: -183.799 Base-Backbone interact. energy: -1.067 local terms energy: -228.284045 where: bonds (distance) C4'-P energy: -60.597 bonds (distance) P-C4' energy: -63.094 flat angles C4'-P-C4' energy: -43.579 flat angles P-C4'-P energy: -35.791 tors. eta vs tors. theta energy: -25.223 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: 9, replica: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -487.136311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.136311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.136311 (E_RNA) where: Base-Base interactions energy: -311.756 where: short stacking energy: -138.872 Base-Backbone interact. energy: -0.652 local terms energy: -174.727593 where: bonds (distance) C4'-P energy: -57.282 bonds (distance) P-C4' energy: -54.116 flat angles C4'-P-C4' energy: -33.193 flat angles P-C4'-P energy: -22.570 tors. eta vs tors. theta energy: -7.568 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: 10, replica: 9 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -401.334372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.334372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.334372 (E_RNA) where: Base-Base interactions energy: -194.709 where: short stacking energy: -123.463 Base-Backbone interact. energy: 0.462 local terms energy: -207.087616 where: bonds (distance) C4'-P energy: -54.921 bonds (distance) P-C4' energy: -48.082 flat angles C4'-P-C4' energy: -47.518 flat angles P-C4'-P energy: -42.042 tors. eta vs tors. theta energy: -14.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1140.910529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.910529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.910529 (E_RNA) where: Base-Base interactions energy: -802.282 where: short stacking energy: -340.376 Base-Backbone interact. energy: -3.789 local terms energy: -334.839272 where: bonds (distance) C4'-P energy: -64.417 bonds (distance) P-C4' energy: -59.180 flat angles C4'-P-C4' energy: -66.904 flat angles P-C4'-P energy: -51.849 tors. eta vs tors. theta energy: -92.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1145.459028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.459028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.459028 (E_RNA) where: Base-Base interactions energy: -802.420 where: short stacking energy: -340.852 Base-Backbone interact. energy: 0.028 local terms energy: -343.067468 where: bonds (distance) C4'-P energy: -57.210 bonds (distance) P-C4' energy: -60.235 flat angles C4'-P-C4' energy: -77.141 flat angles P-C4'-P energy: -53.822 tors. eta vs tors. theta energy: -94.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1072.040489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.040489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.040489 (E_RNA) where: Base-Base interactions energy: -760.774 where: short stacking energy: -306.036 Base-Backbone interact. energy: -3.992 local terms energy: -307.274096 where: bonds (distance) C4'-P energy: -58.671 bonds (distance) P-C4' energy: -58.961 flat angles C4'-P-C4' energy: -67.540 flat angles P-C4'-P energy: -43.550 tors. eta vs tors. theta energy: -78.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1102.377296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.377296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.377296 (E_RNA) where: Base-Base interactions energy: -773.039 where: short stacking energy: -319.664 Base-Backbone interact. energy: -1.203 local terms energy: -328.135055 where: bonds (distance) C4'-P energy: -61.262 bonds (distance) P-C4' energy: -60.835 flat angles C4'-P-C4' energy: -72.397 flat angles P-C4'-P energy: -44.751 tors. eta vs tors. theta energy: -88.890 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: 7 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -947.141458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.141458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.141458 (E_RNA) where: Base-Base interactions energy: -654.068 where: short stacking energy: -275.261 Base-Backbone interact. energy: 3.856 local terms energy: -296.929268 where: bonds (distance) C4'-P energy: -51.087 bonds (distance) P-C4' energy: -60.296 flat angles C4'-P-C4' energy: -69.401 flat angles P-C4'-P energy: -47.335 tors. eta vs tors. theta energy: -68.810 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: 5 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -819.036382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.036382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.036382 (E_RNA) where: Base-Base interactions energy: -541.619 where: short stacking energy: -244.694 Base-Backbone interact. energy: -1.902 local terms energy: -275.515614 where: bonds (distance) C4'-P energy: -60.885 bonds (distance) P-C4' energy: -61.473 flat angles C4'-P-C4' energy: -60.316 flat angles P-C4'-P energy: -37.483 tors. eta vs tors. theta energy: -55.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -670.569690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.569690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.569690 (E_RNA) where: Base-Base interactions energy: -418.492 where: short stacking energy: -208.444 Base-Backbone interact. energy: -0.533 local terms energy: -251.544716 where: bonds (distance) C4'-P energy: -52.751 bonds (distance) P-C4' energy: -59.469 flat angles C4'-P-C4' energy: -58.793 flat angles P-C4'-P energy: -29.719 tors. eta vs tors. theta energy: -50.812 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: 8 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -586.773086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.773086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.773086 (E_RNA) where: Base-Base interactions energy: -341.175 where: short stacking energy: -179.321 Base-Backbone interact. energy: 2.794 local terms energy: -248.392890 where: bonds (distance) C4'-P energy: -50.277 bonds (distance) P-C4' energy: -62.994 flat angles C4'-P-C4' energy: -58.654 flat angles P-C4'-P energy: -36.964 tors. eta vs tors. theta energy: -39.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -508.046369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.046369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.046369 (E_RNA) where: Base-Base interactions energy: -312.989 where: short stacking energy: -156.625 Base-Backbone interact. energy: 1.456 local terms energy: -196.513348 where: bonds (distance) C4'-P energy: -36.847 bonds (distance) P-C4' energy: -54.487 flat angles C4'-P-C4' energy: -50.185 flat angles P-C4'-P energy: -41.292 tors. eta vs tors. theta energy: -13.703 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: 10, replica: 9 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -342.537473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.537473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.537473 (E_RNA) where: Base-Base interactions energy: -175.073 where: short stacking energy: -118.371 Base-Backbone interact. energy: -1.333 local terms energy: -166.131472 where: bonds (distance) C4'-P energy: -54.157 bonds (distance) P-C4' energy: -45.275 flat angles C4'-P-C4' energy: -38.866 flat angles P-C4'-P energy: -25.370 tors. eta vs tors. theta energy: -2.464 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: 6 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1156.345870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.345870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.345870 (E_RNA) where: Base-Base interactions energy: -817.228 where: short stacking energy: -333.782 Base-Backbone interact. energy: -4.299 local terms energy: -334.818128 where: bonds (distance) C4'-P energy: -65.050 bonds (distance) P-C4' energy: -56.772 flat angles C4'-P-C4' energy: -66.217 flat angles P-C4'-P energy: -51.364 tors. eta vs tors. theta energy: -95.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1128.881493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.881493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.881493 (E_RNA) where: Base-Base interactions energy: -797.903 where: short stacking energy: -337.954 Base-Backbone interact. energy: -1.643 local terms energy: -329.334776 where: bonds (distance) C4'-P energy: -46.517 bonds (distance) P-C4' energy: -70.219 flat angles C4'-P-C4' energy: -68.816 flat angles P-C4'-P energy: -44.568 tors. eta vs tors. theta energy: -99.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1118.298182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.298182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.298182 (E_RNA) where: Base-Base interactions energy: -787.208 where: short stacking energy: -349.422 Base-Backbone interact. energy: -2.486 local terms energy: -328.604119 where: bonds (distance) C4'-P energy: -59.037 bonds (distance) P-C4' energy: -59.148 flat angles C4'-P-C4' energy: -70.891 flat angles P-C4'-P energy: -46.019 tors. eta vs tors. theta energy: -93.510 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: 1 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1049.044629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.044629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.044629 (E_RNA) where: Base-Base interactions energy: -749.116 where: short stacking energy: -320.201 Base-Backbone interact. energy: -2.495 local terms energy: -297.432953 where: bonds (distance) C4'-P energy: -55.524 bonds (distance) P-C4' energy: -56.192 flat angles C4'-P-C4' energy: -66.220 flat angles P-C4'-P energy: -38.717 tors. eta vs tors. theta energy: -80.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -962.642912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.642912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.642912 (E_RNA) where: Base-Base interactions energy: -666.827 where: short stacking energy: -274.313 Base-Backbone interact. energy: 6.350 local terms energy: -302.166229 where: bonds (distance) C4'-P energy: -63.387 bonds (distance) P-C4' energy: -63.745 flat angles C4'-P-C4' energy: -57.606 flat angles P-C4'-P energy: -47.151 tors. eta vs tors. theta energy: -70.277 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: 126 Temperature: 1.150000 Total energy: -843.931944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.931944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.931944 (E_RNA) where: Base-Base interactions energy: -581.350 where: short stacking energy: -275.278 Base-Backbone interact. energy: -0.193 local terms energy: -262.389108 where: bonds (distance) C4'-P energy: -48.626 bonds (distance) P-C4' energy: -56.915 flat angles C4'-P-C4' energy: -66.131 flat angles P-C4'-P energy: -26.673 tors. eta vs tors. theta energy: -64.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -629.099541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.099541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.099541 (E_RNA) where: Base-Base interactions energy: -401.804 where: short stacking energy: -199.375 Base-Backbone interact. energy: 2.137 local terms energy: -229.432622 where: bonds (distance) C4'-P energy: -55.058 bonds (distance) P-C4' energy: -63.633 flat angles C4'-P-C4' energy: -54.667 flat angles P-C4'-P energy: -26.638 tors. eta vs tors. theta energy: -29.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -672.315968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.315968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.315968 (E_RNA) where: Base-Base interactions energy: -435.367 where: short stacking energy: -222.834 Base-Backbone interact. energy: 2.540 local terms energy: -239.488570 where: bonds (distance) C4'-P energy: -54.852 bonds (distance) P-C4' energy: -50.923 flat angles C4'-P-C4' energy: -54.457 flat angles P-C4'-P energy: -37.239 tors. eta vs tors. theta energy: -42.018 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: 2 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -496.935383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.935383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.935383 (E_RNA) where: Base-Base interactions energy: -311.524 where: short stacking energy: -133.520 Base-Backbone interact. energy: -1.091 local terms energy: -184.320160 where: bonds (distance) C4'-P energy: -50.386 bonds (distance) P-C4' energy: -55.352 flat angles C4'-P-C4' energy: -44.034 flat angles P-C4'-P energy: -32.272 tors. eta vs tors. theta energy: -2.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -377.077140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.077140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.077140 (E_RNA) where: Base-Base interactions energy: -197.463 where: short stacking energy: -112.259 Base-Backbone interact. energy: -0.157 local terms energy: -179.457340 where: bonds (distance) C4'-P energy: -51.041 bonds (distance) P-C4' energy: -56.232 flat angles C4'-P-C4' energy: -34.745 flat angles P-C4'-P energy: -22.420 tors. eta vs tors. theta energy: -15.020 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: 6 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1157.582515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.582515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.582515 (E_RNA) where: Base-Base interactions energy: -806.917 where: short stacking energy: -350.389 Base-Backbone interact. energy: -2.476 local terms energy: -348.189810 where: bonds (distance) C4'-P energy: -65.314 bonds (distance) P-C4' energy: -62.394 flat angles C4'-P-C4' energy: -74.746 flat angles P-C4'-P energy: -49.452 tors. eta vs tors. theta energy: -96.283 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: 10 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1144.981955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.981955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.981955 (E_RNA) where: Base-Base interactions energy: -808.009 where: short stacking energy: -334.277 Base-Backbone interact. energy: -2.107 local terms energy: -334.866110 where: bonds (distance) C4'-P energy: -60.247 bonds (distance) P-C4' energy: -67.125 flat angles C4'-P-C4' energy: -73.302 flat angles P-C4'-P energy: -52.572 tors. eta vs tors. theta energy: -81.620 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: 4 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1139.882605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.882605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.882605 (E_RNA) where: Base-Base interactions energy: -784.497 where: short stacking energy: -342.754 Base-Backbone interact. energy: -1.227 local terms energy: -354.158265 where: bonds (distance) C4'-P energy: -74.541 bonds (distance) P-C4' energy: -64.336 flat angles C4'-P-C4' energy: -69.786 flat angles P-C4'-P energy: -45.040 tors. eta vs tors. theta energy: -100.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1053.069381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.069381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.069381 (E_RNA) where: Base-Base interactions energy: -730.093 where: short stacking energy: -289.344 Base-Backbone interact. energy: -1.960 local terms energy: -321.015884 where: bonds (distance) C4'-P energy: -61.278 bonds (distance) P-C4' energy: -71.613 flat angles C4'-P-C4' energy: -67.421 flat angles P-C4'-P energy: -42.778 tors. eta vs tors. theta energy: -77.926 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: 127 Temperature: 1.100000 Total energy: -942.345177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.345177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.345177 (E_RNA) where: Base-Base interactions energy: -640.152 where: short stacking energy: -289.262 Base-Backbone interact. energy: -1.924 local terms energy: -300.269486 where: bonds (distance) C4'-P energy: -47.884 bonds (distance) P-C4' energy: -56.562 flat angles C4'-P-C4' energy: -73.121 flat angles P-C4'-P energy: -49.768 tors. eta vs tors. theta energy: -72.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -833.632203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.632203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.632203 (E_RNA) where: Base-Base interactions energy: -571.208 where: short stacking energy: -267.375 Base-Backbone interact. energy: -0.332 local terms energy: -262.092218 where: bonds (distance) C4'-P energy: -56.698 bonds (distance) P-C4' energy: -47.817 flat angles C4'-P-C4' energy: -60.503 flat angles P-C4'-P energy: -39.316 tors. eta vs tors. theta energy: -57.757 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: 8 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -624.642712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.642712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.642712 (E_RNA) where: Base-Base interactions energy: -389.344 where: short stacking energy: -201.774 Base-Backbone interact. energy: -0.305 local terms energy: -234.993638 where: bonds (distance) C4'-P energy: -61.429 bonds (distance) P-C4' energy: -50.422 flat angles C4'-P-C4' energy: -58.646 flat angles P-C4'-P energy: -29.981 tors. eta vs tors. theta energy: -34.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -675.930197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.930197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.930197 (E_RNA) where: Base-Base interactions energy: -434.550 where: short stacking energy: -206.131 Base-Backbone interact. energy: 0.636 local terms energy: -242.015456 where: bonds (distance) C4'-P energy: -49.698 bonds (distance) P-C4' energy: -59.482 flat angles C4'-P-C4' energy: -53.159 flat angles P-C4'-P energy: -37.931 tors. eta vs tors. theta energy: -41.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -522.012872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.012872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.012872 (E_RNA) where: Base-Base interactions energy: -310.871 where: short stacking energy: -152.819 Base-Backbone interact. energy: -1.799 local terms energy: -209.343192 where: bonds (distance) C4'-P energy: -60.660 bonds (distance) P-C4' energy: -63.090 flat angles C4'-P-C4' energy: -54.286 flat angles P-C4'-P energy: -16.316 tors. eta vs tors. theta energy: -14.992 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: 127 Temperature: 1.350000 Total energy: -402.239465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.239465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.239465 (E_RNA) where: Base-Base interactions energy: -198.382 where: short stacking energy: -121.090 Base-Backbone interact. energy: 1.749 local terms energy: -205.605949 where: bonds (distance) C4'-P energy: -50.626 bonds (distance) P-C4' energy: -59.823 flat angles C4'-P-C4' energy: -50.362 flat angles P-C4'-P energy: -26.784 tors. eta vs tors. theta energy: -18.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1157.749512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.749512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.749512 (E_RNA) where: Base-Base interactions energy: -821.332 where: short stacking energy: -341.573 Base-Backbone interact. energy: -1.019 local terms energy: -335.398964 where: bonds (distance) C4'-P energy: -65.918 bonds (distance) P-C4' energy: -65.988 flat angles C4'-P-C4' energy: -70.825 flat angles P-C4'-P energy: -44.348 tors. eta vs tors. theta energy: -88.320 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: 6 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1121.993224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.993224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.993224 (E_RNA) where: Base-Base interactions energy: -771.537 where: short stacking energy: -335.102 Base-Backbone interact. energy: -1.218 local terms energy: -349.238516 where: bonds (distance) C4'-P energy: -68.854 bonds (distance) P-C4' energy: -64.055 flat angles C4'-P-C4' energy: -73.009 flat angles P-C4'-P energy: -50.377 tors. eta vs tors. theta energy: -92.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1132.033737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.033737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.033737 (E_RNA) where: Base-Base interactions energy: -793.326 where: short stacking energy: -351.107 Base-Backbone interact. energy: -1.803 local terms energy: -336.904735 where: bonds (distance) C4'-P energy: -59.616 bonds (distance) P-C4' energy: -58.058 flat angles C4'-P-C4' energy: -75.088 flat angles P-C4'-P energy: -42.240 tors. eta vs tors. theta energy: -101.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1055.915472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.915472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.915472 (E_RNA) where: Base-Base interactions energy: -738.833 where: short stacking energy: -285.445 Base-Backbone interact. energy: -1.948 local terms energy: -315.134231 where: bonds (distance) C4'-P energy: -60.918 bonds (distance) P-C4' energy: -67.050 flat angles C4'-P-C4' energy: -69.524 flat angles P-C4'-P energy: -46.258 tors. eta vs tors. theta energy: -71.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -922.163421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.163421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.163421 (E_RNA) where: Base-Base interactions energy: -647.092 where: short stacking energy: -276.498 Base-Backbone interact. energy: 0.637 local terms energy: -275.708633 where: bonds (distance) C4'-P energy: -52.031 bonds (distance) P-C4' energy: -46.970 flat angles C4'-P-C4' energy: -66.743 flat angles P-C4'-P energy: -42.135 tors. eta vs tors. theta energy: -67.829 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: 5 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -840.671079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.671079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.671079 (E_RNA) where: Base-Base interactions energy: -555.031 where: short stacking energy: -244.656 Base-Backbone interact. energy: 0.815 local terms energy: -286.455208 where: bonds (distance) C4'-P energy: -62.182 bonds (distance) P-C4' energy: -57.251 flat angles C4'-P-C4' energy: -58.681 flat angles P-C4'-P energy: -51.694 tors. eta vs tors. theta energy: -56.648 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: 3 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -758.836647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.836647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.836647 (E_RNA) where: Base-Base interactions energy: -518.280 where: short stacking energy: -239.323 Base-Backbone interact. energy: 2.466 local terms energy: -243.023508 where: bonds (distance) C4'-P energy: -43.122 bonds (distance) P-C4' energy: -54.484 flat angles C4'-P-C4' energy: -57.502 flat angles P-C4'-P energy: -35.545 tors. eta vs tors. theta energy: -52.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -592.624269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.624269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.624269 (E_RNA) where: Base-Base interactions energy: -363.717 where: short stacking energy: -186.513 Base-Backbone interact. energy: -0.775 local terms energy: -228.132204 where: bonds (distance) C4'-P energy: -43.481 bonds (distance) P-C4' energy: -61.688 flat angles C4'-P-C4' energy: -51.410 flat angles P-C4'-P energy: -32.189 tors. eta vs tors. theta energy: -39.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -462.693032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.693032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.693032 (E_RNA) where: Base-Base interactions energy: -266.746 where: short stacking energy: -128.275 Base-Backbone interact. energy: 3.947 local terms energy: -199.893647 where: bonds (distance) C4'-P energy: -54.855 bonds (distance) P-C4' energy: -51.347 flat angles C4'-P-C4' energy: -49.709 flat angles P-C4'-P energy: -30.740 tors. eta vs tors. theta energy: -13.244 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: 9 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -388.706708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.706708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.706708 (E_RNA) where: Base-Base interactions energy: -213.260 where: short stacking energy: -116.002 Base-Backbone interact. energy: -1.307 local terms energy: -174.139184 where: bonds (distance) C4'-P energy: -49.284 bonds (distance) P-C4' energy: -43.453 flat angles C4'-P-C4' energy: -58.061 flat angles P-C4'-P energy: -17.567 tors. eta vs tors. theta energy: -5.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1167.993668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.993668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.993668 (E_RNA) where: Base-Base interactions energy: -830.896 where: short stacking energy: -348.130 Base-Backbone interact. energy: -5.396 local terms energy: -331.701511 where: bonds (distance) C4'-P energy: -65.690 bonds (distance) P-C4' energy: -64.971 flat angles C4'-P-C4' energy: -68.996 flat angles P-C4'-P energy: -45.328 tors. eta vs tors. theta energy: -86.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1112.348232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.348232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.348232 (E_RNA) where: Base-Base interactions energy: -774.377 where: short stacking energy: -328.554 Base-Backbone interact. energy: -3.251 local terms energy: -334.720541 where: bonds (distance) C4'-P energy: -65.413 bonds (distance) P-C4' energy: -65.892 flat angles C4'-P-C4' energy: -68.102 flat angles P-C4'-P energy: -47.048 tors. eta vs tors. theta energy: -88.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1135.581042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.581042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.581042 (E_RNA) where: Base-Base interactions energy: -802.685 where: short stacking energy: -351.619 Base-Backbone interact. energy: -1.023 local terms energy: -331.872152 where: bonds (distance) C4'-P energy: -54.880 bonds (distance) P-C4' energy: -58.857 flat angles C4'-P-C4' energy: -72.229 flat angles P-C4'-P energy: -40.454 tors. eta vs tors. theta energy: -105.453 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: 1 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1039.125673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.125673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.125673 (E_RNA) where: Base-Base interactions energy: -743.238 where: short stacking energy: -299.901 Base-Backbone interact. energy: -2.178 local terms energy: -293.709850 where: bonds (distance) C4'-P energy: -58.626 bonds (distance) P-C4' energy: -67.850 flat angles C4'-P-C4' energy: -62.299 flat angles P-C4'-P energy: -33.456 tors. eta vs tors. theta energy: -71.479 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: 7 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -893.249596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.249596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.249596 (E_RNA) where: Base-Base interactions energy: -624.389 where: short stacking energy: -279.077 Base-Backbone interact. energy: 2.180 local terms energy: -271.040470 where: bonds (distance) C4'-P energy: -52.248 bonds (distance) P-C4' energy: -51.715 flat angles C4'-P-C4' energy: -60.956 flat angles P-C4'-P energy: -41.788 tors. eta vs tors. theta energy: -64.333 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: 5 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -819.752190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.752190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.752190 (E_RNA) where: Base-Base interactions energy: -551.532 where: short stacking energy: -258.240 Base-Backbone interact. energy: -1.115 local terms energy: -267.104330 where: bonds (distance) C4'-P energy: -46.540 bonds (distance) P-C4' energy: -53.211 flat angles C4'-P-C4' energy: -67.761 flat angles P-C4'-P energy: -41.068 tors. eta vs tors. theta energy: -58.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -708.919407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.919407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.919407 (E_RNA) where: Base-Base interactions energy: -471.683 where: short stacking energy: -222.884 Base-Backbone interact. energy: 1.070 local terms energy: -238.306625 where: bonds (distance) C4'-P energy: -50.163 bonds (distance) P-C4' energy: -54.153 flat angles C4'-P-C4' energy: -56.211 flat angles P-C4'-P energy: -28.660 tors. eta vs tors. theta energy: -49.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -625.534086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.534086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.534086 (E_RNA) where: Base-Base interactions energy: -383.316 where: short stacking energy: -192.046 Base-Backbone interact. energy: -1.776 local terms energy: -240.442275 where: bonds (distance) C4'-P energy: -48.736 bonds (distance) P-C4' energy: -57.082 flat angles C4'-P-C4' energy: -52.931 flat angles P-C4'-P energy: -41.807 tors. eta vs tors. theta energy: -39.887 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: 2 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -521.904598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.904598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.904598 (E_RNA) where: Base-Base interactions energy: -295.723 where: short stacking energy: -160.246 Base-Backbone interact. energy: -1.967 local terms energy: -224.214724 where: bonds (distance) C4'-P energy: -55.186 bonds (distance) P-C4' energy: -54.632 flat angles C4'-P-C4' energy: -53.751 flat angles P-C4'-P energy: -35.475 tors. eta vs tors. theta energy: -25.170 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: 9 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -410.596132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.596132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.596132 (E_RNA) where: Base-Base interactions energy: -205.682 where: short stacking energy: -118.927 Base-Backbone interact. energy: -0.152 local terms energy: -204.762384 where: bonds (distance) C4'-P energy: -62.550 bonds (distance) P-C4' energy: -58.004 flat angles C4'-P-C4' energy: -39.371 flat angles P-C4'-P energy: -32.741 tors. eta vs tors. theta energy: -12.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1169.497076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.497076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.497076 (E_RNA) where: Base-Base interactions energy: -826.324 where: short stacking energy: -338.384 Base-Backbone interact. energy: -1.940 local terms energy: -341.232484 where: bonds (distance) C4'-P energy: -56.209 bonds (distance) P-C4' energy: -61.694 flat angles C4'-P-C4' energy: -76.824 flat angles P-C4'-P energy: -56.493 tors. eta vs tors. theta energy: -90.013 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: 6 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1127.483936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.483936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.483936 (E_RNA) where: Base-Base interactions energy: -790.236 where: short stacking energy: -334.370 Base-Backbone interact. energy: -3.927 local terms energy: -333.321253 where: bonds (distance) C4'-P energy: -61.016 bonds (distance) P-C4' energy: -65.625 flat angles C4'-P-C4' energy: -69.303 flat angles P-C4'-P energy: -43.864 tors. eta vs tors. theta energy: -93.513 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: 4 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1128.751808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.751808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.751808 (E_RNA) where: Base-Base interactions energy: -796.243 where: short stacking energy: -356.039 Base-Backbone interact. energy: -1.538 local terms energy: -330.971600 where: bonds (distance) C4'-P energy: -56.098 bonds (distance) P-C4' energy: -56.730 flat angles C4'-P-C4' energy: -74.119 flat angles P-C4'-P energy: -46.161 tors. eta vs tors. theta energy: -97.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1044.527874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.527874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.527874 (E_RNA) where: Base-Base interactions energy: -747.718 where: short stacking energy: -299.204 Base-Backbone interact. energy: -1.998 local terms energy: -294.812204 where: bonds (distance) C4'-P energy: -54.831 bonds (distance) P-C4' energy: -63.852 flat angles C4'-P-C4' energy: -66.455 flat angles P-C4'-P energy: -35.142 tors. eta vs tors. theta energy: -74.532 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: 7 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -920.371943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.371943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.371943 (E_RNA) where: Base-Base interactions energy: -634.720 where: short stacking energy: -283.495 Base-Backbone interact. energy: 0.628 local terms energy: -286.279612 where: bonds (distance) C4'-P energy: -60.908 bonds (distance) P-C4' energy: -53.097 flat angles C4'-P-C4' energy: -54.484 flat angles P-C4'-P energy: -50.441 tors. eta vs tors. theta energy: -67.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -829.480212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.480212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.480212 (E_RNA) where: Base-Base interactions energy: -553.727 where: short stacking energy: -244.911 Base-Backbone interact. energy: -0.508 local terms energy: -275.245288 where: bonds (distance) C4'-P energy: -63.350 bonds (distance) P-C4' energy: -57.291 flat angles C4'-P-C4' energy: -61.492 flat angles P-C4'-P energy: -35.293 tors. eta vs tors. theta energy: -57.820 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: 3 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -718.058320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.058320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.058320 (E_RNA) where: Base-Base interactions energy: -472.786 where: short stacking energy: -233.620 Base-Backbone interact. energy: -0.554 local terms energy: -244.718765 where: bonds (distance) C4'-P energy: -55.867 bonds (distance) P-C4' energy: -57.746 flat angles C4'-P-C4' energy: -47.868 flat angles P-C4'-P energy: -35.864 tors. eta vs tors. theta energy: -47.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -638.407861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.407861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.407861 (E_RNA) where: Base-Base interactions energy: -413.608 where: short stacking energy: -177.544 Base-Backbone interact. energy: -0.801 local terms energy: -223.998754 where: bonds (distance) C4'-P energy: -62.157 bonds (distance) P-C4' energy: -51.994 flat angles C4'-P-C4' energy: -54.035 flat angles P-C4'-P energy: -35.239 tors. eta vs tors. theta energy: -20.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -543.079354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.079354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.079354 (E_RNA) where: Base-Base interactions energy: -339.061 where: short stacking energy: -172.624 Base-Backbone interact. energy: -0.347 local terms energy: -203.671293 where: bonds (distance) C4'-P energy: -41.698 bonds (distance) P-C4' energy: -50.905 flat angles C4'-P-C4' energy: -54.145 flat angles P-C4'-P energy: -28.822 tors. eta vs tors. theta energy: -28.102 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: 9 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -382.940109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.940109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.940109 (E_RNA) where: Base-Base interactions energy: -199.211 where: short stacking energy: -125.666 Base-Backbone interact. energy: -0.769 local terms energy: -182.960521 where: bonds (distance) C4'-P energy: -33.416 bonds (distance) P-C4' energy: -58.623 flat angles C4'-P-C4' energy: -54.731 flat angles P-C4'-P energy: -26.811 tors. eta vs tors. theta energy: -9.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1176.258649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.258649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.258649 (E_RNA) where: Base-Base interactions energy: -818.855 where: short stacking energy: -351.282 Base-Backbone interact. energy: -2.968 local terms energy: -354.436137 where: bonds (distance) C4'-P energy: -69.256 bonds (distance) P-C4' energy: -64.042 flat angles C4'-P-C4' energy: -76.005 flat angles P-C4'-P energy: -49.308 tors. eta vs tors. theta energy: -95.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1144.629371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.629371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.629371 (E_RNA) where: Base-Base interactions energy: -782.380 where: short stacking energy: -350.720 Base-Backbone interact. energy: -0.228 local terms energy: -362.021599 where: bonds (distance) C4'-P energy: -61.610 bonds (distance) P-C4' energy: -66.648 flat angles C4'-P-C4' energy: -80.001 flat angles P-C4'-P energy: -52.868 tors. eta vs tors. theta energy: -100.895 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: 6 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1127.428217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.428217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.428217 (E_RNA) where: Base-Base interactions energy: -801.308 where: short stacking energy: -324.290 Base-Backbone interact. energy: -1.851 local terms energy: -324.269580 where: bonds (distance) C4'-P energy: -60.607 bonds (distance) P-C4' energy: -58.515 flat angles C4'-P-C4' energy: -68.701 flat angles P-C4'-P energy: -38.659 tors. eta vs tors. theta energy: -97.788 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: 131 Temperature: 1.050000 Total energy: -1010.225430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.225430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.225430 (E_RNA) where: Base-Base interactions energy: -706.427 where: short stacking energy: -278.274 Base-Backbone interact. energy: -0.835 local terms energy: -302.963735 where: bonds (distance) C4'-P energy: -58.693 bonds (distance) P-C4' energy: -64.297 flat angles C4'-P-C4' energy: -66.581 flat angles P-C4'-P energy: -42.622 tors. eta vs tors. theta energy: -70.771 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: 7 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -921.906351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.906351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.906351 (E_RNA) where: Base-Base interactions energy: -634.860 where: short stacking energy: -267.989 Base-Backbone interact. energy: -1.714 local terms energy: -285.333147 where: bonds (distance) C4'-P energy: -49.238 bonds (distance) P-C4' energy: -46.391 flat angles C4'-P-C4' energy: -67.184 flat angles P-C4'-P energy: -51.286 tors. eta vs tors. theta energy: -71.235 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: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -807.036719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.036719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.036719 (E_RNA) where: Base-Base interactions energy: -526.934 where: short stacking energy: -254.200 Base-Backbone interact. energy: -0.360 local terms energy: -279.742678 where: bonds (distance) C4'-P energy: -51.932 bonds (distance) P-C4' energy: -68.430 flat angles C4'-P-C4' energy: -60.913 flat angles P-C4'-P energy: -35.410 tors. eta vs tors. theta energy: -63.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -741.276779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.276779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.276779 (E_RNA) where: Base-Base interactions energy: -481.919 where: short stacking energy: -228.540 Base-Backbone interact. energy: 0.434 local terms energy: -259.791179 where: bonds (distance) C4'-P energy: -65.573 bonds (distance) P-C4' energy: -54.508 flat angles C4'-P-C4' energy: -60.845 flat angles P-C4'-P energy: -35.813 tors. eta vs tors. theta energy: -43.053 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: 2 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -486.024390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.024390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.024390 (E_RNA) where: Base-Base interactions energy: -255.114 where: short stacking energy: -138.509 Base-Backbone interact. energy: 0.090 local terms energy: -231.000997 where: bonds (distance) C4'-P energy: -61.355 bonds (distance) P-C4' energy: -60.999 flat angles C4'-P-C4' energy: -54.095 flat angles P-C4'-P energy: -34.057 tors. eta vs tors. theta energy: -20.494 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: 8 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -662.482568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.482568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.482568 (E_RNA) where: Base-Base interactions energy: -426.138 where: short stacking energy: -206.741 Base-Backbone interact. energy: -1.510 local terms energy: -234.834302 where: bonds (distance) C4'-P energy: -42.908 bonds (distance) P-C4' energy: -58.697 flat angles C4'-P-C4' energy: -54.371 flat angles P-C4'-P energy: -36.395 tors. eta vs tors. theta energy: -42.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -389.704525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.704525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.704525 (E_RNA) where: Base-Base interactions energy: -224.133 where: short stacking energy: -124.642 Base-Backbone interact. energy: 0.245 local terms energy: -165.816248 where: bonds (distance) C4'-P energy: -37.837 bonds (distance) P-C4' energy: -50.304 flat angles C4'-P-C4' energy: -52.161 flat angles P-C4'-P energy: -17.313 tors. eta vs tors. theta energy: -8.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1173.273217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.273217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.273217 (E_RNA) where: Base-Base interactions energy: -818.721 where: short stacking energy: -362.249 Base-Backbone interact. energy: 0.759 local terms energy: -355.311556 where: bonds (distance) C4'-P energy: -69.197 bonds (distance) P-C4' energy: -65.688 flat angles C4'-P-C4' energy: -75.043 flat angles P-C4'-P energy: -50.160 tors. eta vs tors. theta energy: -95.223 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: 10 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1144.655726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.655726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.655726 (E_RNA) where: Base-Base interactions energy: -812.501 where: short stacking energy: -358.918 Base-Backbone interact. energy: -1.203 local terms energy: -330.951804 where: bonds (distance) C4'-P energy: -61.876 bonds (distance) P-C4' energy: -62.619 flat angles C4'-P-C4' energy: -61.511 flat angles P-C4'-P energy: -49.950 tors. eta vs tors. theta energy: -94.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1041.134232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.134232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.134232 (E_RNA) where: Base-Base interactions energy: -753.600 where: short stacking energy: -293.419 Base-Backbone interact. energy: -4.042 local terms energy: -283.491337 where: bonds (distance) C4'-P energy: -59.075 bonds (distance) P-C4' energy: -57.804 flat angles C4'-P-C4' energy: -65.020 flat angles P-C4'-P energy: -38.245 tors. eta vs tors. theta energy: -63.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1061.704627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.704627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.704627 (E_RNA) where: Base-Base interactions energy: -754.636 where: short stacking energy: -326.609 Base-Backbone interact. energy: -1.876 local terms energy: -305.192651 where: bonds (distance) C4'-P energy: -52.098 bonds (distance) P-C4' energy: -59.629 flat angles C4'-P-C4' energy: -69.369 flat angles P-C4'-P energy: -41.501 tors. eta vs tors. theta energy: -82.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -938.321634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.321634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.321634 (E_RNA) where: Base-Base interactions energy: -667.328 where: short stacking energy: -279.631 Base-Backbone interact. energy: 0.061 local terms energy: -271.053660 where: bonds (distance) C4'-P energy: -58.355 bonds (distance) P-C4' energy: -45.847 flat angles C4'-P-C4' energy: -54.277 flat angles P-C4'-P energy: -33.140 tors. eta vs tors. theta energy: -79.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -851.605505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.605505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.605505 (E_RNA) where: Base-Base interactions energy: -566.520 where: short stacking energy: -270.976 Base-Backbone interact. energy: -1.061 local terms energy: -284.024822 where: bonds (distance) C4'-P energy: -58.731 bonds (distance) P-C4' energy: -55.422 flat angles C4'-P-C4' energy: -61.607 flat angles P-C4'-P energy: -38.860 tors. eta vs tors. theta energy: -69.405 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: 3 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -702.084027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.084027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.084027 (E_RNA) where: Base-Base interactions energy: -458.777 where: short stacking energy: -207.990 Base-Backbone interact. energy: -1.301 local terms energy: -242.006305 where: bonds (distance) C4'-P energy: -53.502 bonds (distance) P-C4' energy: -58.989 flat angles C4'-P-C4' energy: -47.177 flat angles P-C4'-P energy: -39.164 tors. eta vs tors. theta energy: -43.174 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: 8, replica: 2 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -449.200603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.200603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.200603 (E_RNA) where: Base-Base interactions energy: -240.299 where: short stacking energy: -137.997 Base-Backbone interact. energy: 0.048 local terms energy: -208.949256 where: bonds (distance) C4'-P energy: -54.644 bonds (distance) P-C4' energy: -46.657 flat angles C4'-P-C4' energy: -45.819 flat angles P-C4'-P energy: -39.476 tors. eta vs tors. theta energy: -22.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -672.214971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.214971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.214971 (E_RNA) where: Base-Base interactions energy: -460.328 where: short stacking energy: -201.865 Base-Backbone interact. energy: 0.546 local terms energy: -212.433766 where: bonds (distance) C4'-P energy: -41.287 bonds (distance) P-C4' energy: -52.280 flat angles C4'-P-C4' energy: -49.955 flat angles P-C4'-P energy: -32.156 tors. eta vs tors. theta energy: -36.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -384.917609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.917609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.917609 (E_RNA) where: Base-Base interactions energy: -188.781 where: short stacking energy: -114.347 Base-Backbone interact. energy: 1.213 local terms energy: -197.349955 where: bonds (distance) C4'-P energy: -47.150 bonds (distance) P-C4' energy: -52.040 flat angles C4'-P-C4' energy: -53.266 flat angles P-C4'-P energy: -25.394 tors. eta vs tors. theta energy: -19.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1200.096488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.096488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.096488 (E_RNA) where: Base-Base interactions energy: -840.640 where: short stacking energy: -387.095 Base-Backbone interact. energy: 1.317 local terms energy: -360.773160 where: bonds (distance) C4'-P energy: -65.220 bonds (distance) P-C4' energy: -68.216 flat angles C4'-P-C4' energy: -76.414 flat angles P-C4'-P energy: -45.280 tors. eta vs tors. theta energy: -105.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1152.713216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.713216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.713216 (E_RNA) where: Base-Base interactions energy: -813.412 where: short stacking energy: -357.977 Base-Backbone interact. energy: -1.251 local terms energy: -338.049693 where: bonds (distance) C4'-P energy: -56.297 bonds (distance) P-C4' energy: -64.108 flat angles C4'-P-C4' energy: -69.577 flat angles P-C4'-P energy: -47.869 tors. eta vs tors. theta energy: -100.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1043.973466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.973466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.973466 (E_RNA) where: Base-Base interactions energy: -740.810 where: short stacking energy: -274.671 Base-Backbone interact. energy: -2.560 local terms energy: -300.603539 where: bonds (distance) C4'-P energy: -67.600 bonds (distance) P-C4' energy: -67.165 flat angles C4'-P-C4' energy: -70.367 flat angles P-C4'-P energy: -38.294 tors. eta vs tors. theta energy: -57.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1075.777788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.777788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.777788 (E_RNA) where: Base-Base interactions energy: -758.366 where: short stacking energy: -317.788 Base-Backbone interact. energy: -0.122 local terms energy: -317.289646 where: bonds (distance) C4'-P energy: -58.375 bonds (distance) P-C4' energy: -57.775 flat angles C4'-P-C4' energy: -72.909 flat angles P-C4'-P energy: -43.150 tors. eta vs tors. theta energy: -85.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -926.057886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.057886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.057886 (E_RNA) where: Base-Base interactions energy: -638.423 where: short stacking energy: -281.841 Base-Backbone interact. energy: -1.443 local terms energy: -286.191327 where: bonds (distance) C4'-P energy: -53.637 bonds (distance) P-C4' energy: -61.810 flat angles C4'-P-C4' energy: -62.603 flat angles P-C4'-P energy: -46.178 tors. eta vs tors. theta energy: -61.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -848.837453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.837453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.837453 (E_RNA) where: Base-Base interactions energy: -566.787 where: short stacking energy: -266.399 Base-Backbone interact. energy: 0.756 local terms energy: -282.806359 where: bonds (distance) C4'-P energy: -60.346 bonds (distance) P-C4' energy: -63.992 flat angles C4'-P-C4' energy: -59.326 flat angles P-C4'-P energy: -30.156 tors. eta vs tors. theta energy: -68.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -664.188015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.188015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.188015 (E_RNA) where: Base-Base interactions energy: -391.412 where: short stacking energy: -189.876 Base-Backbone interact. energy: 1.114 local terms energy: -273.889444 where: bonds (distance) C4'-P energy: -63.963 bonds (distance) P-C4' energy: -61.707 flat angles C4'-P-C4' energy: -65.511 flat angles P-C4'-P energy: -34.966 tors. eta vs tors. theta energy: -47.742 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: 133 Temperature: 1.250000 Total energy: -731.973165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.973165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.973165 (E_RNA) where: Base-Base interactions energy: -478.027 where: short stacking energy: -212.346 Base-Backbone interact. energy: -2.930 local terms energy: -251.016699 where: bonds (distance) C4'-P energy: -50.404 bonds (distance) P-C4' energy: -52.652 flat angles C4'-P-C4' energy: -63.558 flat angles P-C4'-P energy: -34.369 tors. eta vs tors. theta energy: -50.035 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: 133 Temperature: 1.300000 Total energy: -435.660561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.660561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.660561 (E_RNA) where: Base-Base interactions energy: -225.681 where: short stacking energy: -131.777 Base-Backbone interact. energy: -1.559 local terms energy: -208.420590 where: bonds (distance) C4'-P energy: -44.271 bonds (distance) P-C4' energy: -52.686 flat angles C4'-P-C4' energy: -64.363 flat angles P-C4'-P energy: -34.679 tors. eta vs tors. theta energy: -12.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -438.048031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.048031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.048031 (E_RNA) where: Base-Base interactions energy: -217.323 where: short stacking energy: -130.340 Base-Backbone interact. energy: -2.097 local terms energy: -218.627043 where: bonds (distance) C4'-P energy: -56.138 bonds (distance) P-C4' energy: -63.407 flat angles C4'-P-C4' energy: -48.325 flat angles P-C4'-P energy: -41.593 tors. eta vs tors. theta energy: -9.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1185.428895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.428895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.428895 (E_RNA) where: Base-Base interactions energy: -832.487 where: short stacking energy: -363.589 Base-Backbone interact. energy: -0.369 local terms energy: -352.572144 where: bonds (distance) C4'-P energy: -58.433 bonds (distance) P-C4' energy: -68.166 flat angles C4'-P-C4' energy: -70.157 flat angles P-C4'-P energy: -52.665 tors. eta vs tors. theta energy: -103.151 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: 10 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1153.181157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.181157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.181157 (E_RNA) where: Base-Base interactions energy: -818.595 where: short stacking energy: -355.941 Base-Backbone interact. energy: -0.617 local terms energy: -333.969335 where: bonds (distance) C4'-P energy: -62.192 bonds (distance) P-C4' energy: -61.396 flat angles C4'-P-C4' energy: -70.057 flat angles P-C4'-P energy: -43.037 tors. eta vs tors. theta energy: -97.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1094.611901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.611901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.611901 (E_RNA) where: Base-Base interactions energy: -774.661 where: short stacking energy: -320.499 Base-Backbone interact. energy: -1.899 local terms energy: -318.052065 where: bonds (distance) C4'-P energy: -68.593 bonds (distance) P-C4' energy: -61.930 flat angles C4'-P-C4' energy: -63.655 flat angles P-C4'-P energy: -34.754 tors. eta vs tors. theta energy: -89.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1034.007293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.007293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.007293 (E_RNA) where: Base-Base interactions energy: -731.183 where: short stacking energy: -286.773 Base-Backbone interact. energy: 1.145 local terms energy: -303.969067 where: bonds (distance) C4'-P energy: -57.074 bonds (distance) P-C4' energy: -68.895 flat angles C4'-P-C4' energy: -65.605 flat angles P-C4'-P energy: -45.218 tors. eta vs tors. theta energy: -67.177 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: 7 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -934.680148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.680148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.680148 (E_RNA) where: Base-Base interactions energy: -637.506 where: short stacking energy: -272.224 Base-Backbone interact. energy: 8.132 local terms energy: -305.306377 where: bonds (distance) C4'-P energy: -61.834 bonds (distance) P-C4' energy: -70.498 flat angles C4'-P-C4' energy: -61.604 flat angles P-C4'-P energy: -41.266 tors. eta vs tors. theta energy: -70.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -821.694720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.694720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.694720 (E_RNA) where: Base-Base interactions energy: -547.651 where: short stacking energy: -267.510 Base-Backbone interact. energy: -0.766 local terms energy: -273.277742 where: bonds (distance) C4'-P energy: -60.378 bonds (distance) P-C4' energy: -57.804 flat angles C4'-P-C4' energy: -62.159 flat angles P-C4'-P energy: -29.719 tors. eta vs tors. theta energy: -63.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -749.603168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.603168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.603168 (E_RNA) where: Base-Base interactions energy: -498.655 where: short stacking energy: -225.469 Base-Backbone interact. energy: -1.188 local terms energy: -249.760485 where: bonds (distance) C4'-P energy: -44.203 bonds (distance) P-C4' energy: -42.668 flat angles C4'-P-C4' energy: -71.712 flat angles P-C4'-P energy: -47.498 tors. eta vs tors. theta energy: -43.679 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: 3 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -608.596618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.596618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.596618 (E_RNA) where: Base-Base interactions energy: -389.816 where: short stacking energy: -175.723 Base-Backbone interact. energy: 0.424 local terms energy: -219.204448 where: bonds (distance) C4'-P energy: -48.568 bonds (distance) P-C4' energy: -56.040 flat angles C4'-P-C4' energy: -53.007 flat angles P-C4'-P energy: -42.911 tors. eta vs tors. theta energy: -18.679 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: 2 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -467.076067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.076067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.076067 (E_RNA) where: Base-Base interactions energy: -284.143 where: short stacking energy: -156.279 Base-Backbone interact. energy: -1.618 local terms energy: -181.314647 where: bonds (distance) C4'-P energy: -42.289 bonds (distance) P-C4' energy: -58.514 flat angles C4'-P-C4' energy: -46.642 flat angles P-C4'-P energy: -13.011 tors. eta vs tors. theta energy: -20.860 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: 9 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -364.962958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.962958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.962958 (E_RNA) where: Base-Base interactions energy: -201.036 where: short stacking energy: -101.219 Base-Backbone interact. energy: 0.820 local terms energy: -164.747392 where: bonds (distance) C4'-P energy: -50.595 bonds (distance) P-C4' energy: -51.753 flat angles C4'-P-C4' energy: -45.307 flat angles P-C4'-P energy: -23.913 tors. eta vs tors. theta energy: 6.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1171.029782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.029782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.029782 (E_RNA) where: Base-Base interactions energy: -826.449 where: short stacking energy: -367.478 Base-Backbone interact. energy: -0.647 local terms energy: -343.934068 where: bonds (distance) C4'-P energy: -60.044 bonds (distance) P-C4' energy: -62.263 flat angles C4'-P-C4' energy: -67.726 flat angles P-C4'-P energy: -46.398 tors. eta vs tors. theta energy: -107.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1166.802202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.802202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.802202 (E_RNA) where: Base-Base interactions energy: -832.015 where: short stacking energy: -350.896 Base-Backbone interact. energy: -3.266 local terms energy: -331.520273 where: bonds (distance) C4'-P energy: -57.362 bonds (distance) P-C4' energy: -60.175 flat angles C4'-P-C4' energy: -75.167 flat angles P-C4'-P energy: -45.459 tors. eta vs tors. theta energy: -93.356 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: 6 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1093.396276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.396276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.396276 (E_RNA) where: Base-Base interactions energy: -766.121 where: short stacking energy: -320.981 Base-Backbone interact. energy: -0.043 local terms energy: -327.232187 where: bonds (distance) C4'-P energy: -52.273 bonds (distance) P-C4' energy: -59.285 flat angles C4'-P-C4' energy: -75.502 flat angles P-C4'-P energy: -56.125 tors. eta vs tors. theta energy: -84.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -986.178241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.178241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.178241 (E_RNA) where: Base-Base interactions energy: -697.986 where: short stacking energy: -294.447 Base-Backbone interact. energy: 1.364 local terms energy: -289.556496 where: bonds (distance) C4'-P energy: -60.766 bonds (distance) P-C4' energy: -60.675 flat angles C4'-P-C4' energy: -56.779 flat angles P-C4'-P energy: -39.635 tors. eta vs tors. theta energy: -71.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -963.513923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.513923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.513923 (E_RNA) where: Base-Base interactions energy: -684.113 where: short stacking energy: -270.323 Base-Backbone interact. energy: 0.203 local terms energy: -279.603724 where: bonds (distance) C4'-P energy: -52.584 bonds (distance) P-C4' energy: -62.974 flat angles C4'-P-C4' energy: -57.688 flat angles P-C4'-P energy: -39.137 tors. eta vs tors. theta energy: -67.220 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: 5 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -807.138886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.138886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.138886 (E_RNA) where: Base-Base interactions energy: -537.948 where: short stacking energy: -241.176 Base-Backbone interact. energy: 1.950 local terms energy: -271.141248 where: bonds (distance) C4'-P energy: -53.219 bonds (distance) P-C4' energy: -69.348 flat angles C4'-P-C4' energy: -59.362 flat angles P-C4'-P energy: -30.395 tors. eta vs tors. theta energy: -58.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -789.368420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.368420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.368420 (E_RNA) where: Base-Base interactions energy: -523.784 where: short stacking energy: -211.806 Base-Backbone interact. energy: 2.524 local terms energy: -268.108776 where: bonds (distance) C4'-P energy: -56.146 bonds (distance) P-C4' energy: -55.374 flat angles C4'-P-C4' energy: -66.010 flat angles P-C4'-P energy: -43.703 tors. eta vs tors. theta energy: -46.876 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: 3 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -657.035160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.035160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.035160 (E_RNA) where: Base-Base interactions energy: -418.055 where: short stacking energy: -208.576 Base-Backbone interact. energy: -1.607 local terms energy: -237.372853 where: bonds (distance) C4'-P energy: -55.805 bonds (distance) P-C4' energy: -55.125 flat angles C4'-P-C4' energy: -50.397 flat angles P-C4'-P energy: -33.907 tors. eta vs tors. theta energy: -42.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -438.924726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.924726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.924726 (E_RNA) where: Base-Base interactions energy: -249.221 where: short stacking energy: -131.851 Base-Backbone interact. energy: -1.988 local terms energy: -187.716309 where: bonds (distance) C4'-P energy: -38.635 bonds (distance) P-C4' energy: -59.792 flat angles C4'-P-C4' energy: -50.377 flat angles P-C4'-P energy: -30.290 tors. eta vs tors. theta energy: -8.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -371.655327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.655327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.655327 (E_RNA) where: Base-Base interactions energy: -175.495 where: short stacking energy: -106.397 Base-Backbone interact. energy: -0.530 local terms energy: -195.629828 where: bonds (distance) C4'-P energy: -58.395 bonds (distance) P-C4' energy: -46.624 flat angles C4'-P-C4' energy: -50.866 flat angles P-C4'-P energy: -35.891 tors. eta vs tors. theta energy: -3.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1181.809830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.809830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.809830 (E_RNA) where: Base-Base interactions energy: -831.422 where: short stacking energy: -342.360 Base-Backbone interact. energy: -0.388 local terms energy: -349.999335 where: bonds (distance) C4'-P energy: -63.973 bonds (distance) P-C4' energy: -62.915 flat angles C4'-P-C4' energy: -73.850 flat angles P-C4'-P energy: -56.480 tors. eta vs tors. theta energy: -92.781 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: 136 Temperature: 0.950000 Total energy: -1161.947737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.947737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.947737 (E_RNA) where: Base-Base interactions energy: -804.497 where: short stacking energy: -362.710 Base-Backbone interact. energy: -1.493 local terms energy: -355.957672 where: bonds (distance) C4'-P energy: -63.948 bonds (distance) P-C4' energy: -68.257 flat angles C4'-P-C4' energy: -75.817 flat angles P-C4'-P energy: -45.926 tors. eta vs tors. theta energy: -102.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1096.261416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.261416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.261416 (E_RNA) where: Base-Base interactions energy: -762.247 where: short stacking energy: -322.287 Base-Backbone interact. energy: -3.011 local terms energy: -331.003660 where: bonds (distance) C4'-P energy: -57.177 bonds (distance) P-C4' energy: -64.877 flat angles C4'-P-C4' energy: -70.799 flat angles P-C4'-P energy: -49.060 tors. eta vs tors. theta energy: -89.091 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: 136 Temperature: 1.050000 Total energy: -998.341388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.341388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.341388 (E_RNA) where: Base-Base interactions energy: -717.307 where: short stacking energy: -292.362 Base-Backbone interact. energy: -3.012 local terms energy: -278.022008 where: bonds (distance) C4'-P energy: -48.447 bonds (distance) P-C4' energy: -63.377 flat angles C4'-P-C4' energy: -58.101 flat angles P-C4'-P energy: -38.281 tors. eta vs tors. theta energy: -69.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -946.745559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.745559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.745559 (E_RNA) where: Base-Base interactions energy: -636.983 where: short stacking energy: -267.022 Base-Backbone interact. energy: -3.830 local terms energy: -305.932462 where: bonds (distance) C4'-P energy: -60.813 bonds (distance) P-C4' energy: -71.441 flat angles C4'-P-C4' energy: -67.041 flat angles P-C4'-P energy: -35.501 tors. eta vs tors. theta energy: -71.136 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: 136 Temperature: 1.150000 Total energy: -814.058121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.058121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.058121 (E_RNA) where: Base-Base interactions energy: -553.314 where: short stacking energy: -268.779 Base-Backbone interact. energy: 1.517 local terms energy: -262.260527 where: bonds (distance) C4'-P energy: -43.234 bonds (distance) P-C4' energy: -62.097 flat angles C4'-P-C4' energy: -60.080 flat angles P-C4'-P energy: -42.407 tors. eta vs tors. theta energy: -54.442 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: 136 Temperature: 1.200000 Total energy: -787.659725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.659725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.659725 (E_RNA) where: Base-Base interactions energy: -538.895 where: short stacking energy: -228.733 Base-Backbone interact. energy: 1.444 local terms energy: -250.208571 where: bonds (distance) C4'-P energy: -51.764 bonds (distance) P-C4' energy: -58.076 flat angles C4'-P-C4' energy: -67.386 flat angles P-C4'-P energy: -28.576 tors. eta vs tors. theta energy: -44.407 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: 3 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -671.873056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.873056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.873056 (E_RNA) where: Base-Base interactions energy: -439.641 where: short stacking energy: -220.286 Base-Backbone interact. energy: -1.099 local terms energy: -231.132684 where: bonds (distance) C4'-P energy: -43.807 bonds (distance) P-C4' energy: -47.386 flat angles C4'-P-C4' energy: -48.957 flat angles P-C4'-P energy: -37.310 tors. eta vs tors. theta energy: -53.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -452.960516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.960516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.960516 (E_RNA) where: Base-Base interactions energy: -268.305 where: short stacking energy: -137.864 Base-Backbone interact. energy: 5.550 local terms energy: -190.205531 where: bonds (distance) C4'-P energy: -56.934 bonds (distance) P-C4' energy: -48.431 flat angles C4'-P-C4' energy: -53.886 flat angles P-C4'-P energy: -25.703 tors. eta vs tors. theta energy: -5.251 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: 2 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -380.856799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.856799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.856799 (E_RNA) where: Base-Base interactions energy: -203.300 where: short stacking energy: -115.080 Base-Backbone interact. energy: 0.042 local terms energy: -177.598147 where: bonds (distance) C4'-P energy: -41.773 bonds (distance) P-C4' energy: -61.139 flat angles C4'-P-C4' energy: -52.777 flat angles P-C4'-P energy: -19.405 tors. eta vs tors. theta energy: -2.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1193.495527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.495527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.495527 (E_RNA) where: Base-Base interactions energy: -854.728 where: short stacking energy: -351.699 Base-Backbone interact. energy: -1.630 local terms energy: -337.137323 where: bonds (distance) C4'-P energy: -52.134 bonds (distance) P-C4' energy: -67.142 flat angles C4'-P-C4' energy: -74.150 flat angles P-C4'-P energy: -49.443 tors. eta vs tors. theta energy: -94.267 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: 2, replica: 4 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1169.455633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.455633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.455633 (E_RNA) where: Base-Base interactions energy: -807.219 where: short stacking energy: -359.331 Base-Backbone interact. energy: -2.490 local terms energy: -359.746994 where: bonds (distance) C4'-P energy: -62.888 bonds (distance) P-C4' energy: -60.431 flat angles C4'-P-C4' energy: -75.456 flat angles P-C4'-P energy: -53.865 tors. eta vs tors. theta energy: -107.107 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: 137 Temperature: 1.000000 Total energy: -1080.231513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.231513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.231513 (E_RNA) where: Base-Base interactions energy: -741.865 where: short stacking energy: -304.676 Base-Backbone interact. energy: -2.186 local terms energy: -336.180285 where: bonds (distance) C4'-P energy: -62.768 bonds (distance) P-C4' energy: -60.525 flat angles C4'-P-C4' energy: -74.843 flat angles P-C4'-P energy: -46.604 tors. eta vs tors. theta energy: -91.440 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: 1 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -995.679569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.679569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.679569 (E_RNA) where: Base-Base interactions energy: -717.339 where: short stacking energy: -300.568 Base-Backbone interact. energy: 3.344 local terms energy: -281.684567 where: bonds (distance) C4'-P energy: -64.146 bonds (distance) P-C4' energy: -51.227 flat angles C4'-P-C4' energy: -55.696 flat angles P-C4'-P energy: -35.852 tors. eta vs tors. theta energy: -74.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -903.626688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.626688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.626688 (E_RNA) where: Base-Base interactions energy: -619.090 where: short stacking energy: -264.820 Base-Backbone interact. energy: -0.217 local terms energy: -284.319669 where: bonds (distance) C4'-P energy: -62.012 bonds (distance) P-C4' energy: -59.129 flat angles C4'-P-C4' energy: -63.364 flat angles P-C4'-P energy: -39.157 tors. eta vs tors. theta energy: -60.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -816.627412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.627412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.627412 (E_RNA) where: Base-Base interactions energy: -544.586 where: short stacking energy: -239.329 Base-Backbone interact. energy: -1.649 local terms energy: -270.392395 where: bonds (distance) C4'-P energy: -59.397 bonds (distance) P-C4' energy: -54.984 flat angles C4'-P-C4' energy: -57.199 flat angles P-C4'-P energy: -41.087 tors. eta vs tors. theta energy: -57.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -826.435544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.435544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.435544 (E_RNA) where: Base-Base interactions energy: -578.971 where: short stacking energy: -248.152 Base-Backbone interact. energy: -0.148 local terms energy: -247.316322 where: bonds (distance) C4'-P energy: -63.035 bonds (distance) P-C4' energy: -50.998 flat angles C4'-P-C4' energy: -61.759 flat angles P-C4'-P energy: -27.998 tors. eta vs tors. theta energy: -43.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -617.299134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.299134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.299134 (E_RNA) where: Base-Base interactions energy: -409.936 where: short stacking energy: -179.529 Base-Backbone interact. energy: -1.316 local terms energy: -206.047595 where: bonds (distance) C4'-P energy: -56.671 bonds (distance) P-C4' energy: -55.641 flat angles C4'-P-C4' energy: -45.154 flat angles P-C4'-P energy: -19.240 tors. eta vs tors. theta energy: -29.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -486.205146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.205146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.205146 (E_RNA) where: Base-Base interactions energy: -275.686 where: short stacking energy: -141.926 Base-Backbone interact. energy: -1.050 local terms energy: -209.468895 where: bonds (distance) C4'-P energy: -55.739 bonds (distance) P-C4' energy: -53.731 flat angles C4'-P-C4' energy: -54.518 flat angles P-C4'-P energy: -32.248 tors. eta vs tors. theta energy: -13.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -394.066224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.066224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.066224 (E_RNA) where: Base-Base interactions energy: -224.881 where: short stacking energy: -123.290 Base-Backbone interact. energy: -1.600 local terms energy: -167.584993 where: bonds (distance) C4'-P energy: -50.353 bonds (distance) P-C4' energy: -45.140 flat angles C4'-P-C4' energy: -41.126 flat angles P-C4'-P energy: -23.223 tors. eta vs tors. theta energy: -7.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1186.708125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.708125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.708125 (E_RNA) where: Base-Base interactions energy: -826.509 where: short stacking energy: -360.997 Base-Backbone interact. energy: -1.125 local terms energy: -359.074483 where: bonds (distance) C4'-P energy: -63.243 bonds (distance) P-C4' energy: -73.936 flat angles C4'-P-C4' energy: -72.732 flat angles P-C4'-P energy: -53.393 tors. eta vs tors. theta energy: -95.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1177.538387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.538387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.538387 (E_RNA) where: Base-Base interactions energy: -832.495 where: short stacking energy: -362.313 Base-Backbone interact. energy: -0.525 local terms energy: -344.518783 where: bonds (distance) C4'-P energy: -62.365 bonds (distance) P-C4' energy: -53.480 flat angles C4'-P-C4' energy: -76.879 flat angles P-C4'-P energy: -44.893 tors. eta vs tors. theta energy: -106.902 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: 3, replica: 1 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1054.641547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.641547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.641547 (E_RNA) where: Base-Base interactions energy: -752.757 where: short stacking energy: -294.818 Base-Backbone interact. energy: -2.130 local terms energy: -299.754133 where: bonds (distance) C4'-P energy: -60.673 bonds (distance) P-C4' energy: -57.248 flat angles C4'-P-C4' energy: -64.305 flat angles P-C4'-P energy: -47.848 tors. eta vs tors. theta energy: -69.681 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: 6 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1062.097943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.097943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.097943 (E_RNA) where: Base-Base interactions energy: -746.243 where: short stacking energy: -306.506 Base-Backbone interact. energy: -2.292 local terms energy: -313.562771 where: bonds (distance) C4'-P energy: -60.000 bonds (distance) P-C4' energy: -61.701 flat angles C4'-P-C4' energy: -69.138 flat angles P-C4'-P energy: -39.163 tors. eta vs tors. theta energy: -83.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -913.252599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.252599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.252599 (E_RNA) where: Base-Base interactions energy: -629.241 where: short stacking energy: -296.630 Base-Backbone interact. energy: -1.769 local terms energy: -282.242132 where: bonds (distance) C4'-P energy: -52.083 bonds (distance) P-C4' energy: -67.054 flat angles C4'-P-C4' energy: -58.830 flat angles P-C4'-P energy: -29.267 tors. eta vs tors. theta energy: -75.008 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: 5 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -786.210551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.210551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.210551 (E_RNA) where: Base-Base interactions energy: -497.878 where: short stacking energy: -223.400 Base-Backbone interact. energy: 1.042 local terms energy: -289.374398 where: bonds (distance) C4'-P energy: -62.392 bonds (distance) P-C4' energy: -64.050 flat angles C4'-P-C4' energy: -62.405 flat angles P-C4'-P energy: -42.766 tors. eta vs tors. theta energy: -57.761 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: 8 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -850.607016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.607016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.607016 (E_RNA) where: Base-Base interactions energy: -588.039 where: short stacking energy: -258.701 Base-Backbone interact. energy: -1.272 local terms energy: -261.296238 where: bonds (distance) C4'-P energy: -49.024 bonds (distance) P-C4' energy: -55.825 flat angles C4'-P-C4' energy: -61.063 flat angles P-C4'-P energy: -34.064 tors. eta vs tors. theta energy: -61.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -627.457731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.457731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.457731 (E_RNA) where: Base-Base interactions energy: -386.197 where: short stacking energy: -179.417 Base-Backbone interact. energy: -0.508 local terms energy: -240.753577 where: bonds (distance) C4'-P energy: -49.301 bonds (distance) P-C4' energy: -61.252 flat angles C4'-P-C4' energy: -47.164 flat angles P-C4'-P energy: -45.395 tors. eta vs tors. theta energy: -37.641 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: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -489.989948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.989948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.989948 (E_RNA) where: Base-Base interactions energy: -277.149 where: short stacking energy: -132.168 Base-Backbone interact. energy: -1.340 local terms energy: -211.500273 where: bonds (distance) C4'-P energy: -42.324 bonds (distance) P-C4' energy: -65.395 flat angles C4'-P-C4' energy: -57.114 flat angles P-C4'-P energy: -31.139 tors. eta vs tors. theta energy: -15.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -361.484519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.484519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.484519 (E_RNA) where: Base-Base interactions energy: -175.809 where: short stacking energy: -109.506 Base-Backbone interact. energy: -0.791 local terms energy: -184.884581 where: bonds (distance) C4'-P energy: -53.902 bonds (distance) P-C4' energy: -61.170 flat angles C4'-P-C4' energy: -47.031 flat angles P-C4'-P energy: -35.286 tors. eta vs tors. theta energy: 12.503 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: 10 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1184.141581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.141581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.141581 (E_RNA) where: Base-Base interactions energy: -836.438 where: short stacking energy: -355.695 Base-Backbone interact. energy: 4.338 local terms energy: -352.041975 where: bonds (distance) C4'-P energy: -61.270 bonds (distance) P-C4' energy: -63.892 flat angles C4'-P-C4' energy: -74.096 flat angles P-C4'-P energy: -55.585 tors. eta vs tors. theta energy: -97.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1175.814872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.814872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.814872 (E_RNA) where: Base-Base interactions energy: -821.086 where: short stacking energy: -340.855 Base-Backbone interact. energy: -0.494 local terms energy: -354.234304 where: bonds (distance) C4'-P energy: -74.160 bonds (distance) P-C4' energy: -69.434 flat angles C4'-P-C4' energy: -68.431 flat angles P-C4'-P energy: -42.158 tors. eta vs tors. theta energy: -100.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1056.804072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.804072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.804072 (E_RNA) where: Base-Base interactions energy: -754.991 where: short stacking energy: -288.192 Base-Backbone interact. energy: -2.037 local terms energy: -299.776423 where: bonds (distance) C4'-P energy: -58.279 bonds (distance) P-C4' energy: -62.259 flat angles C4'-P-C4' energy: -64.810 flat angles P-C4'-P energy: -45.920 tors. eta vs tors. theta energy: -68.508 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: 6 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1073.959391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.959391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.959391 (E_RNA) where: Base-Base interactions energy: -766.257 where: short stacking energy: -313.432 Base-Backbone interact. energy: -2.818 local terms energy: -304.884572 where: bonds (distance) C4'-P energy: -57.164 bonds (distance) P-C4' energy: -50.131 flat angles C4'-P-C4' energy: -69.223 flat angles P-C4'-P energy: -43.648 tors. eta vs tors. theta energy: -84.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -931.386471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.386471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.386471 (E_RNA) where: Base-Base interactions energy: -627.521 where: short stacking energy: -293.888 Base-Backbone interact. energy: -1.273 local terms energy: -302.592453 where: bonds (distance) C4'-P energy: -57.511 bonds (distance) P-C4' energy: -56.097 flat angles C4'-P-C4' energy: -67.768 flat angles P-C4'-P energy: -41.236 tors. eta vs tors. theta energy: -79.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -893.232506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.232506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.232506 (E_RNA) where: Base-Base interactions energy: -612.593 where: short stacking energy: -280.220 Base-Backbone interact. energy: -2.549 local terms energy: -278.090290 where: bonds (distance) C4'-P energy: -61.342 bonds (distance) P-C4' energy: -56.943 flat angles C4'-P-C4' energy: -62.692 flat angles P-C4'-P energy: -28.311 tors. eta vs tors. theta energy: -68.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -776.645566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.645566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.645566 (E_RNA) where: Base-Base interactions energy: -528.253 where: short stacking energy: -256.707 Base-Backbone interact. energy: 0.853 local terms energy: -249.245596 where: bonds (distance) C4'-P energy: -45.384 bonds (distance) P-C4' energy: -47.129 flat angles C4'-P-C4' energy: -56.791 flat angles P-C4'-P energy: -40.809 tors. eta vs tors. theta energy: -59.132 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: 8, replica: 3 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -660.632374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.632374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.632374 (E_RNA) where: Base-Base interactions energy: -442.448 where: short stacking energy: -196.805 Base-Backbone interact. energy: -2.342 local terms energy: -215.842353 where: bonds (distance) C4'-P energy: -34.263 bonds (distance) P-C4' energy: -64.844 flat angles C4'-P-C4' energy: -51.999 flat angles P-C4'-P energy: -32.943 tors. eta vs tors. theta energy: -31.792 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: 139 Temperature: 1.300000 Total energy: -501.825854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.825854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.825854 (E_RNA) where: Base-Base interactions energy: -277.770 where: short stacking energy: -142.731 Base-Backbone interact. energy: -1.630 local terms energy: -222.425911 where: bonds (distance) C4'-P energy: -40.872 bonds (distance) P-C4' energy: -57.077 flat angles C4'-P-C4' energy: -56.321 flat angles P-C4'-P energy: -45.895 tors. eta vs tors. theta energy: -22.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -380.372338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.372338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.372338 (E_RNA) where: Base-Base interactions energy: -181.317 where: short stacking energy: -97.249 Base-Backbone interact. energy: -2.629 local terms energy: -196.426477 where: bonds (distance) C4'-P energy: -51.581 bonds (distance) P-C4' energy: -56.304 flat angles C4'-P-C4' energy: -48.262 flat angles P-C4'-P energy: -36.850 tors. eta vs tors. theta energy: -3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1185.827640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.827640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.827640 (E_RNA) where: Base-Base interactions energy: -824.321 where: short stacking energy: -350.028 Base-Backbone interact. energy: -1.252 local terms energy: -360.255173 where: bonds (distance) C4'-P energy: -69.553 bonds (distance) P-C4' energy: -60.677 flat angles C4'-P-C4' energy: -76.882 flat angles P-C4'-P energy: -55.331 tors. eta vs tors. theta energy: -97.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1170.571332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.571332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.571332 (E_RNA) where: Base-Base interactions energy: -824.862 where: short stacking energy: -346.996 Base-Backbone interact. energy: 6.225 local terms energy: -351.934258 where: bonds (distance) C4'-P energy: -65.441 bonds (distance) P-C4' energy: -68.824 flat angles C4'-P-C4' energy: -74.076 flat angles P-C4'-P energy: -47.401 tors. eta vs tors. theta energy: -96.192 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: 6 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1088.284528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.284528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.284528 (E_RNA) where: Base-Base interactions energy: -767.930 where: short stacking energy: -324.230 Base-Backbone interact. energy: 5.418 local terms energy: -325.772274 where: bonds (distance) C4'-P energy: -63.914 bonds (distance) P-C4' energy: -60.811 flat angles C4'-P-C4' energy: -67.929 flat angles P-C4'-P energy: -42.394 tors. eta vs tors. theta energy: -90.724 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: 1 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1046.800681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.800681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.800681 (E_RNA) where: Base-Base interactions energy: -741.201 where: short stacking energy: -311.260 Base-Backbone interact. energy: -1.467 local terms energy: -304.132322 where: bonds (distance) C4'-P energy: -59.157 bonds (distance) P-C4' energy: -56.771 flat angles C4'-P-C4' energy: -69.541 flat angles P-C4'-P energy: -47.344 tors. eta vs tors. theta energy: -71.320 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: 5, replica: 8 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -916.949845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.949845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.949845 (E_RNA) where: Base-Base interactions energy: -622.303 where: short stacking energy: -272.318 Base-Backbone interact. energy: -0.977 local terms energy: -293.669664 where: bonds (distance) C4'-P energy: -61.183 bonds (distance) P-C4' energy: -64.364 flat angles C4'-P-C4' energy: -61.313 flat angles P-C4'-P energy: -42.063 tors. eta vs tors. theta energy: -64.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -919.353983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.353983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.353983 (E_RNA) where: Base-Base interactions energy: -640.192 where: short stacking energy: -275.669 Base-Backbone interact. energy: 0.999 local terms energy: -280.160858 where: bonds (distance) C4'-P energy: -55.863 bonds (distance) P-C4' energy: -56.392 flat angles C4'-P-C4' energy: -55.027 flat angles P-C4'-P energy: -46.108 tors. eta vs tors. theta energy: -66.772 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: 7, replica: 5 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -766.986758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.986758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.986758 (E_RNA) where: Base-Base interactions energy: -488.271 where: short stacking energy: -245.826 Base-Backbone interact. energy: -0.886 local terms energy: -277.829984 where: bonds (distance) C4'-P energy: -62.587 bonds (distance) P-C4' energy: -58.833 flat angles C4'-P-C4' energy: -61.784 flat angles P-C4'-P energy: -37.606 tors. eta vs tors. theta energy: -57.019 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: 3 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -644.757976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.757976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.757976 (E_RNA) where: Base-Base interactions energy: -429.360 where: short stacking energy: -201.219 Base-Backbone interact. energy: -0.313 local terms energy: -215.085159 where: bonds (distance) C4'-P energy: -49.226 bonds (distance) P-C4' energy: -48.262 flat angles C4'-P-C4' energy: -48.692 flat angles P-C4'-P energy: -34.160 tors. eta vs tors. theta energy: -34.745 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: 9 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -553.625789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.625789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.625789 (E_RNA) where: Base-Base interactions energy: -346.750 where: short stacking energy: -163.146 Base-Backbone interact. energy: -0.896 local terms energy: -205.979663 where: bonds (distance) C4'-P energy: -43.226 bonds (distance) P-C4' energy: -56.992 flat angles C4'-P-C4' energy: -49.706 flat angles P-C4'-P energy: -28.387 tors. eta vs tors. theta energy: -27.669 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: 2 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -421.004955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.004955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.004955 (E_RNA) where: Base-Base interactions energy: -216.684 where: short stacking energy: -137.004 Base-Backbone interact. energy: 3.000 local terms energy: -207.320136 where: bonds (distance) C4'-P energy: -49.729 bonds (distance) P-C4' energy: -52.903 flat angles C4'-P-C4' energy: -43.297 flat angles P-C4'-P energy: -40.918 tors. eta vs tors. theta energy: -20.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1207.258038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.258038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.258038 (E_RNA) where: Base-Base interactions energy: -855.347 where: short stacking energy: -357.169 Base-Backbone interact. energy: -2.111 local terms energy: -349.800408 where: bonds (distance) C4'-P energy: -60.354 bonds (distance) P-C4' energy: -65.802 flat angles C4'-P-C4' energy: -75.518 flat angles P-C4'-P energy: -50.174 tors. eta vs tors. theta energy: -97.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1157.699724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.699724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.699724 (E_RNA) where: Base-Base interactions energy: -816.132 where: short stacking energy: -341.344 Base-Backbone interact. energy: 2.741 local terms energy: -344.309393 where: bonds (distance) C4'-P energy: -64.845 bonds (distance) P-C4' energy: -69.292 flat angles C4'-P-C4' energy: -71.551 flat angles P-C4'-P energy: -48.982 tors. eta vs tors. theta energy: -89.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1086.893068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.893068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.893068 (E_RNA) where: Base-Base interactions energy: -762.311 where: short stacking energy: -319.575 Base-Backbone interact. energy: -1.287 local terms energy: -323.295286 where: bonds (distance) C4'-P energy: -58.756 bonds (distance) P-C4' energy: -62.532 flat angles C4'-P-C4' energy: -64.813 flat angles P-C4'-P energy: -46.934 tors. eta vs tors. theta energy: -90.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1036.329114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.329114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.329114 (E_RNA) where: Base-Base interactions energy: -730.097 where: short stacking energy: -286.927 Base-Backbone interact. energy: -1.065 local terms energy: -305.166938 where: bonds (distance) C4'-P energy: -64.353 bonds (distance) P-C4' energy: -62.962 flat angles C4'-P-C4' energy: -68.674 flat angles P-C4'-P energy: -38.158 tors. eta vs tors. theta energy: -71.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -948.004881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.004881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.004881 (E_RNA) where: Base-Base interactions energy: -662.939 where: short stacking energy: -277.748 Base-Backbone interact. energy: -0.611 local terms energy: -284.455127 where: bonds (distance) C4'-P energy: -56.565 bonds (distance) P-C4' energy: -59.259 flat angles C4'-P-C4' energy: -67.682 flat angles P-C4'-P energy: -36.232 tors. eta vs tors. theta energy: -64.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -888.925620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.925620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.925620 (E_RNA) where: Base-Base interactions energy: -611.970 where: short stacking energy: -271.746 Base-Backbone interact. energy: -1.872 local terms energy: -275.083513 where: bonds (distance) C4'-P energy: -52.984 bonds (distance) P-C4' energy: -49.738 flat angles C4'-P-C4' energy: -66.646 flat angles P-C4'-P energy: -37.815 tors. eta vs tors. theta energy: -67.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -787.527984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.527984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.527984 (E_RNA) where: Base-Base interactions energy: -522.441 where: short stacking energy: -248.534 Base-Backbone interact. energy: -0.802 local terms energy: -264.284793 where: bonds (distance) C4'-P energy: -58.187 bonds (distance) P-C4' energy: -59.029 flat angles C4'-P-C4' energy: -51.536 flat angles P-C4'-P energy: -33.996 tors. eta vs tors. theta energy: -61.536 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: 3 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -595.488469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.488469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.488469 (E_RNA) where: Base-Base interactions energy: -356.320 where: short stacking energy: -195.052 Base-Backbone interact. energy: -1.254 local terms energy: -237.913747 where: bonds (distance) C4'-P energy: -56.923 bonds (distance) P-C4' energy: -57.475 flat angles C4'-P-C4' energy: -54.291 flat angles P-C4'-P energy: -40.153 tors. eta vs tors. theta energy: -29.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -497.100126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.100126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.100126 (E_RNA) where: Base-Base interactions energy: -271.747 where: short stacking energy: -144.719 Base-Backbone interact. energy: 3.895 local terms energy: -229.248130 where: bonds (distance) C4'-P energy: -51.126 bonds (distance) P-C4' energy: -66.647 flat angles C4'-P-C4' energy: -49.751 flat angles P-C4'-P energy: -40.996 tors. eta vs tors. theta energy: -20.728 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: 10, replica: 2 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -358.917009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.917009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.917009 (E_RNA) where: Base-Base interactions energy: -184.881 where: short stacking energy: -91.588 Base-Backbone interact. energy: -0.403 local terms energy: -173.632462 where: bonds (distance) C4'-P energy: -50.676 bonds (distance) P-C4' energy: -50.906 flat angles C4'-P-C4' energy: -48.477 flat angles P-C4'-P energy: -26.853 tors. eta vs tors. theta energy: 3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1196.153223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.153223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.153223 (E_RNA) where: Base-Base interactions energy: -838.967 where: short stacking energy: -360.893 Base-Backbone interact. energy: -0.731 local terms energy: -356.455413 where: bonds (distance) C4'-P energy: -64.643 bonds (distance) P-C4' energy: -59.009 flat angles C4'-P-C4' energy: -77.365 flat angles P-C4'-P energy: -54.928 tors. eta vs tors. theta energy: -100.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1160.961370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.961370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.961370 (E_RNA) where: Base-Base interactions energy: -823.893 where: short stacking energy: -335.295 Base-Backbone interact. energy: 0.263 local terms energy: -337.330803 where: bonds (distance) C4'-P energy: -63.462 bonds (distance) P-C4' energy: -68.043 flat angles C4'-P-C4' energy: -69.080 flat angles P-C4'-P energy: -45.410 tors. eta vs tors. theta energy: -91.337 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: 3, replica: 6 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1090.870433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.870433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.870433 (E_RNA) where: Base-Base interactions energy: -772.199 where: short stacking energy: -322.458 Base-Backbone interact. energy: -2.207 local terms energy: -316.463724 where: bonds (distance) C4'-P energy: -46.311 bonds (distance) P-C4' energy: -75.030 flat angles C4'-P-C4' energy: -62.958 flat angles P-C4'-P energy: -47.929 tors. eta vs tors. theta energy: -84.236 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: 1 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1025.141618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.141618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.141618 (E_RNA) where: Base-Base interactions energy: -738.244 where: short stacking energy: -283.283 Base-Backbone interact. energy: -1.319 local terms energy: -285.578743 where: bonds (distance) C4'-P energy: -56.647 bonds (distance) P-C4' energy: -60.980 flat angles C4'-P-C4' energy: -55.956 flat angles P-C4'-P energy: -38.325 tors. eta vs tors. theta energy: -73.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -898.556976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.556976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.556976 (E_RNA) where: Base-Base interactions energy: -610.828 where: short stacking energy: -257.017 Base-Backbone interact. energy: -2.063 local terms energy: -285.666218 where: bonds (distance) C4'-P energy: -60.057 bonds (distance) P-C4' energy: -56.078 flat angles C4'-P-C4' energy: -63.345 flat angles P-C4'-P energy: -44.670 tors. eta vs tors. theta energy: -61.516 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: 7 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -903.248539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.248539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.248539 (E_RNA) where: Base-Base interactions energy: -606.489 where: short stacking energy: -275.048 Base-Backbone interact. energy: -2.937 local terms energy: -293.822667 where: bonds (distance) C4'-P energy: -61.618 bonds (distance) P-C4' energy: -66.070 flat angles C4'-P-C4' energy: -65.108 flat angles P-C4'-P energy: -39.248 tors. eta vs tors. theta energy: -61.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -756.408889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.408889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.408889 (E_RNA) where: Base-Base interactions energy: -476.418 where: short stacking energy: -226.839 Base-Backbone interact. energy: -1.960 local terms energy: -278.030518 where: bonds (distance) C4'-P energy: -57.115 bonds (distance) P-C4' energy: -55.058 flat angles C4'-P-C4' energy: -68.022 flat angles P-C4'-P energy: -44.604 tors. eta vs tors. theta energy: -53.231 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: 3 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -607.120108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.120108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.120108 (E_RNA) where: Base-Base interactions energy: -394.409 where: short stacking energy: -190.277 Base-Backbone interact. energy: 1.724 local terms energy: -214.435126 where: bonds (distance) C4'-P energy: -57.924 bonds (distance) P-C4' energy: -43.692 flat angles C4'-P-C4' energy: -53.271 flat angles P-C4'-P energy: -26.976 tors. eta vs tors. theta energy: -32.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -478.425526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.425526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.425526 (E_RNA) where: Base-Base interactions energy: -274.803 where: short stacking energy: -160.504 Base-Backbone interact. energy: 3.247 local terms energy: -206.870096 where: bonds (distance) C4'-P energy: -47.975 bonds (distance) P-C4' energy: -57.433 flat angles C4'-P-C4' energy: -45.738 flat angles P-C4'-P energy: -37.749 tors. eta vs tors. theta energy: -17.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -357.299559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.299559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.299559 (E_RNA) where: Base-Base interactions energy: -180.813 where: short stacking energy: -88.275 Base-Backbone interact. energy: 1.504 local terms energy: -177.989965 where: bonds (distance) C4'-P energy: -54.563 bonds (distance) P-C4' energy: -63.831 flat angles C4'-P-C4' energy: -42.696 flat angles P-C4'-P energy: -26.859 tors. eta vs tors. theta energy: 9.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1199.716484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.716484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.716484 (E_RNA) where: Base-Base interactions energy: -826.935 where: short stacking energy: -363.857 Base-Backbone interact. energy: -1.602 local terms energy: -371.179367 where: bonds (distance) C4'-P energy: -56.799 bonds (distance) P-C4' energy: -71.743 flat angles C4'-P-C4' energy: -76.077 flat angles P-C4'-P energy: -56.314 tors. eta vs tors. theta energy: -110.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1170.585573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.585573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.585573 (E_RNA) where: Base-Base interactions energy: -825.029 where: short stacking energy: -349.932 Base-Backbone interact. energy: -3.907 local terms energy: -341.649968 where: bonds (distance) C4'-P energy: -56.982 bonds (distance) P-C4' energy: -64.067 flat angles C4'-P-C4' energy: -72.987 flat angles P-C4'-P energy: -52.709 tors. eta vs tors. theta energy: -94.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1100.388612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.388612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.388612 (E_RNA) where: Base-Base interactions energy: -772.346 where: short stacking energy: -325.238 Base-Backbone interact. energy: -0.281 local terms energy: -327.761260 where: bonds (distance) C4'-P energy: -55.582 bonds (distance) P-C4' energy: -70.956 flat angles C4'-P-C4' energy: -68.710 flat angles P-C4'-P energy: -48.530 tors. eta vs tors. theta energy: -83.985 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: 1 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1018.407159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.407159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.407159 (E_RNA) where: Base-Base interactions energy: -723.251 where: short stacking energy: -287.590 Base-Backbone interact. energy: -1.925 local terms energy: -293.230948 where: bonds (distance) C4'-P energy: -47.790 bonds (distance) P-C4' energy: -61.563 flat angles C4'-P-C4' energy: -61.906 flat angles P-C4'-P energy: -55.195 tors. eta vs tors. theta energy: -66.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -924.139855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.139855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.139855 (E_RNA) where: Base-Base interactions energy: -621.697 where: short stacking energy: -270.227 Base-Backbone interact. energy: -1.814 local terms energy: -300.629234 where: bonds (distance) C4'-P energy: -55.187 bonds (distance) P-C4' energy: -67.828 flat angles C4'-P-C4' energy: -66.184 flat angles P-C4'-P energy: -41.341 tors. eta vs tors. theta energy: -70.089 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: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -812.760685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.760685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.760685 (E_RNA) where: Base-Base interactions energy: -538.819 where: short stacking energy: -252.060 Base-Backbone interact. energy: -1.854 local terms energy: -272.087546 where: bonds (distance) C4'-P energy: -45.777 bonds (distance) P-C4' energy: -67.241 flat angles C4'-P-C4' energy: -62.152 flat angles P-C4'-P energy: -40.629 tors. eta vs tors. theta energy: -56.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -818.117179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.117179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.117179 (E_RNA) where: Base-Base interactions energy: -571.668 where: short stacking energy: -238.975 Base-Backbone interact. energy: -0.993 local terms energy: -245.456335 where: bonds (distance) C4'-P energy: -59.240 bonds (distance) P-C4' energy: -39.235 flat angles C4'-P-C4' energy: -61.288 flat angles P-C4'-P energy: -37.996 tors. eta vs tors. theta energy: -47.698 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: 3 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -628.289452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.289452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.289452 (E_RNA) where: Base-Base interactions energy: -407.091 where: short stacking energy: -191.834 Base-Backbone interact. energy: -1.059 local terms energy: -220.138906 where: bonds (distance) C4'-P energy: -40.214 bonds (distance) P-C4' energy: -58.129 flat angles C4'-P-C4' energy: -56.868 flat angles P-C4'-P energy: -33.536 tors. eta vs tors. theta energy: -31.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -522.909097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.909097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.909097 (E_RNA) where: Base-Base interactions energy: -308.605 where: short stacking energy: -124.543 Base-Backbone interact. energy: 4.099 local terms energy: -218.403725 where: bonds (distance) C4'-P energy: -50.989 bonds (distance) P-C4' energy: -56.655 flat angles C4'-P-C4' energy: -60.960 flat angles P-C4'-P energy: -30.114 tors. eta vs tors. theta energy: -19.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -403.236064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.236064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.236064 (E_RNA) where: Base-Base interactions energy: -211.361 where: short stacking energy: -128.030 Base-Backbone interact. energy: 0.357 local terms energy: -192.231864 where: bonds (distance) C4'-P energy: -47.896 bonds (distance) P-C4' energy: -53.540 flat angles C4'-P-C4' energy: -40.766 flat angles P-C4'-P energy: -40.996 tors. eta vs tors. theta energy: -9.034 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: 4 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1189.378393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.378393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.378393 (E_RNA) where: Base-Base interactions energy: -844.164 where: short stacking energy: -367.973 Base-Backbone interact. energy: 2.345 local terms energy: -347.559257 where: bonds (distance) C4'-P energy: -59.916 bonds (distance) P-C4' energy: -58.187 flat angles C4'-P-C4' energy: -67.366 flat angles P-C4'-P energy: -61.243 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: 2, replica: 10 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1188.392203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.392203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.392203 (E_RNA) where: Base-Base interactions energy: -854.406 where: short stacking energy: -366.756 Base-Backbone interact. energy: -0.649 local terms energy: -333.337168 where: bonds (distance) C4'-P energy: -62.381 bonds (distance) P-C4' energy: -63.762 flat angles C4'-P-C4' energy: -67.531 flat angles P-C4'-P energy: -46.300 tors. eta vs tors. theta energy: -93.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1079.735624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.735624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.735624 (E_RNA) where: Base-Base interactions energy: -745.175 where: short stacking energy: -328.426 Base-Backbone interact. energy: 3.158 local terms energy: -337.719280 where: bonds (distance) C4'-P energy: -61.697 bonds (distance) P-C4' energy: -60.916 flat angles C4'-P-C4' energy: -76.069 flat angles P-C4'-P energy: -49.047 tors. eta vs tors. theta energy: -89.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1032.975400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.975400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.975400 (E_RNA) where: Base-Base interactions energy: -742.377 where: short stacking energy: -295.889 Base-Backbone interact. energy: -2.298 local terms energy: -288.299892 where: bonds (distance) C4'-P energy: -59.173 bonds (distance) P-C4' energy: -45.144 flat angles C4'-P-C4' energy: -81.521 flat angles P-C4'-P energy: -34.838 tors. eta vs tors. theta energy: -67.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -902.204200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.204200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.204200 (E_RNA) where: Base-Base interactions energy: -620.653 where: short stacking energy: -274.967 Base-Backbone interact. energy: -1.670 local terms energy: -279.880958 where: bonds (distance) C4'-P energy: -52.759 bonds (distance) P-C4' energy: -60.690 flat angles C4'-P-C4' energy: -65.799 flat angles P-C4'-P energy: -31.509 tors. eta vs tors. theta energy: -69.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -846.042665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.042665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.042665 (E_RNA) where: Base-Base interactions energy: -557.095 where: short stacking energy: -272.083 Base-Backbone interact. energy: -0.939 local terms energy: -288.008571 where: bonds (distance) C4'-P energy: -59.022 bonds (distance) P-C4' energy: -58.534 flat angles C4'-P-C4' energy: -66.369 flat angles P-C4'-P energy: -37.626 tors. eta vs tors. theta energy: -66.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -838.456253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.456253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.456253 (E_RNA) where: Base-Base interactions energy: -569.468 where: short stacking energy: -247.194 Base-Backbone interact. energy: -0.660 local terms energy: -268.327626 where: bonds (distance) C4'-P energy: -54.218 bonds (distance) P-C4' energy: -69.276 flat angles C4'-P-C4' energy: -59.584 flat angles P-C4'-P energy: -33.592 tors. eta vs tors. theta energy: -51.658 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: 8, replica: 3 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -640.813125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.813125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.813125 (E_RNA) where: Base-Base interactions energy: -399.055 where: short stacking energy: -184.350 Base-Backbone interact. energy: -1.273 local terms energy: -240.484513 where: bonds (distance) C4'-P energy: -56.727 bonds (distance) P-C4' energy: -58.097 flat angles C4'-P-C4' energy: -53.726 flat angles P-C4'-P energy: -36.480 tors. eta vs tors. theta energy: -35.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -564.357995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.357995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.357995 (E_RNA) where: Base-Base interactions energy: -350.290 where: short stacking energy: -164.326 Base-Backbone interact. energy: -1.040 local terms energy: -213.027631 where: bonds (distance) C4'-P energy: -39.935 bonds (distance) P-C4' energy: -54.305 flat angles C4'-P-C4' energy: -62.633 flat angles P-C4'-P energy: -32.215 tors. eta vs tors. theta energy: -23.939 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: 2 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -404.569343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.569343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.569343 (E_RNA) where: Base-Base interactions energy: -225.196 where: short stacking energy: -121.222 Base-Backbone interact. energy: -0.625 local terms energy: -178.748373 where: bonds (distance) C4'-P energy: -47.891 bonds (distance) P-C4' energy: -53.479 flat angles C4'-P-C4' energy: -44.098 flat angles P-C4'-P energy: -23.754 tors. eta vs tors. theta energy: -9.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1219.209497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.209497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.209497 (E_RNA) where: Base-Base interactions energy: -853.656 where: short stacking energy: -379.639 Base-Backbone interact. energy: -0.206 local terms energy: -365.348292 where: bonds (distance) C4'-P energy: -73.088 bonds (distance) P-C4' energy: -55.850 flat angles C4'-P-C4' energy: -73.811 flat angles P-C4'-P energy: -55.420 tors. eta vs tors. theta energy: -107.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1174.862610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.862610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.862610 (E_RNA) where: Base-Base interactions energy: -829.571 where: short stacking energy: -337.516 Base-Backbone interact. energy: -2.898 local terms energy: -342.394473 where: bonds (distance) C4'-P energy: -57.334 bonds (distance) P-C4' energy: -70.321 flat angles C4'-P-C4' energy: -68.529 flat angles P-C4'-P energy: -53.859 tors. eta vs tors. theta energy: -92.351 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: 145 Temperature: 1.000000 Total energy: -1096.527718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.527718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.527718 (E_RNA) where: Base-Base interactions energy: -767.318 where: short stacking energy: -305.737 Base-Backbone interact. energy: -1.456 local terms energy: -327.754121 where: bonds (distance) C4'-P energy: -71.599 bonds (distance) P-C4' energy: -55.251 flat angles C4'-P-C4' energy: -71.774 flat angles P-C4'-P energy: -46.236 tors. eta vs tors. theta energy: -82.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1034.144168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.144168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.144168 (E_RNA) where: Base-Base interactions energy: -725.072 where: short stacking energy: -296.892 Base-Backbone interact. energy: -1.334 local terms energy: -307.738150 where: bonds (distance) C4'-P energy: -58.733 bonds (distance) P-C4' energy: -57.838 flat angles C4'-P-C4' energy: -69.286 flat angles P-C4'-P energy: -40.994 tors. eta vs tors. theta energy: -80.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -947.229013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.229013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.229013 (E_RNA) where: Base-Base interactions energy: -663.973 where: short stacking energy: -289.173 Base-Backbone interact. energy: -0.767 local terms energy: -282.488994 where: bonds (distance) C4'-P energy: -59.327 bonds (distance) P-C4' energy: -62.397 flat angles C4'-P-C4' energy: -65.499 flat angles P-C4'-P energy: -35.477 tors. eta vs tors. theta energy: -59.789 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: 7 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -842.612437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.612437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.612437 (E_RNA) where: Base-Base interactions energy: -562.005 where: short stacking energy: -256.109 Base-Backbone interact. energy: -1.835 local terms energy: -278.771839 where: bonds (distance) C4'-P energy: -56.981 bonds (distance) P-C4' energy: -55.187 flat angles C4'-P-C4' energy: -60.493 flat angles P-C4'-P energy: -46.058 tors. eta vs tors. theta energy: -60.053 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: 5 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -773.688680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.688680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.688680 (E_RNA) where: Base-Base interactions energy: -502.223 where: short stacking energy: -240.411 Base-Backbone interact. energy: 2.035 local terms energy: -273.500773 where: bonds (distance) C4'-P energy: -61.002 bonds (distance) P-C4' energy: -54.790 flat angles C4'-P-C4' energy: -62.714 flat angles P-C4'-P energy: -39.078 tors. eta vs tors. theta energy: -55.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -642.648512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.648512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.648512 (E_RNA) where: Base-Base interactions energy: -423.125 where: short stacking energy: -216.750 Base-Backbone interact. energy: 1.336 local terms energy: -220.860325 where: bonds (distance) C4'-P energy: -49.954 bonds (distance) P-C4' energy: -47.235 flat angles C4'-P-C4' energy: -58.299 flat angles P-C4'-P energy: -24.417 tors. eta vs tors. theta energy: -40.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -612.095264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.095264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.095264 (E_RNA) where: Base-Base interactions energy: -390.213 where: short stacking energy: -185.012 Base-Backbone interact. energy: -0.297 local terms energy: -221.584882 where: bonds (distance) C4'-P energy: -62.798 bonds (distance) P-C4' energy: -39.404 flat angles C4'-P-C4' energy: -50.843 flat angles P-C4'-P energy: -35.334 tors. eta vs tors. theta energy: -33.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -373.908038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.908038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.908038 (E_RNA) where: Base-Base interactions energy: -187.247 where: short stacking energy: -104.101 Base-Backbone interact. energy: -1.593 local terms energy: -185.067906 where: bonds (distance) C4'-P energy: -45.334 bonds (distance) P-C4' energy: -62.946 flat angles C4'-P-C4' energy: -49.593 flat angles P-C4'-P energy: -22.622 tors. eta vs tors. theta energy: -4.573 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: 4 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1201.249725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.249725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.249725 (E_RNA) where: Base-Base interactions energy: -848.372 where: short stacking energy: -362.329 Base-Backbone interact. energy: -0.036 local terms energy: -352.841574 where: bonds (distance) C4'-P energy: -64.198 bonds (distance) P-C4' energy: -60.238 flat angles C4'-P-C4' energy: -71.231 flat angles P-C4'-P energy: -49.837 tors. eta vs tors. theta energy: -107.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1184.334805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.334805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.334805 (E_RNA) where: Base-Base interactions energy: -836.389 where: short stacking energy: -357.109 Base-Backbone interact. energy: -1.727 local terms energy: -346.219192 where: bonds (distance) C4'-P energy: -64.791 bonds (distance) P-C4' energy: -68.626 flat angles C4'-P-C4' energy: -72.402 flat angles P-C4'-P energy: -48.467 tors. eta vs tors. theta energy: -91.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1113.319135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.319135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.319135 (E_RNA) where: Base-Base interactions energy: -771.158 where: short stacking energy: -321.775 Base-Backbone interact. energy: -2.668 local terms energy: -339.493100 where: bonds (distance) C4'-P energy: -66.875 bonds (distance) P-C4' energy: -63.467 flat angles C4'-P-C4' energy: -70.037 flat angles P-C4'-P energy: -49.796 tors. eta vs tors. theta energy: -89.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1036.133855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.133855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.133855 (E_RNA) where: Base-Base interactions energy: -739.473 where: short stacking energy: -306.732 Base-Backbone interact. energy: -1.571 local terms energy: -295.090277 where: bonds (distance) C4'-P energy: -61.929 bonds (distance) P-C4' energy: -56.604 flat angles C4'-P-C4' energy: -65.745 flat angles P-C4'-P energy: -42.830 tors. eta vs tors. theta energy: -67.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -942.103412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.103412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.103412 (E_RNA) where: Base-Base interactions energy: -649.160 where: short stacking energy: -282.735 Base-Backbone interact. energy: 0.287 local terms energy: -293.230315 where: bonds (distance) C4'-P energy: -54.697 bonds (distance) P-C4' energy: -69.165 flat angles C4'-P-C4' energy: -59.371 flat angles P-C4'-P energy: -46.417 tors. eta vs tors. theta energy: -63.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -872.631710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.631710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.631710 (E_RNA) where: Base-Base interactions energy: -590.070 where: short stacking energy: -244.343 Base-Backbone interact. energy: 1.290 local terms energy: -283.852380 where: bonds (distance) C4'-P energy: -60.052 bonds (distance) P-C4' energy: -60.688 flat angles C4'-P-C4' energy: -69.001 flat angles P-C4'-P energy: -37.699 tors. eta vs tors. theta energy: -56.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -779.379085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.379085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.379085 (E_RNA) where: Base-Base interactions energy: -519.218 where: short stacking energy: -241.700 Base-Backbone interact. energy: -1.933 local terms energy: -258.227911 where: bonds (distance) C4'-P energy: -54.998 bonds (distance) P-C4' energy: -64.597 flat angles C4'-P-C4' energy: -52.374 flat angles P-C4'-P energy: -29.305 tors. eta vs tors. theta energy: -56.954 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: 3 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -651.333530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.333530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.333530 (E_RNA) where: Base-Base interactions energy: -424.229 where: short stacking energy: -184.706 Base-Backbone interact. energy: -0.378 local terms energy: -226.726653 where: bonds (distance) C4'-P energy: -53.268 bonds (distance) P-C4' energy: -49.429 flat angles C4'-P-C4' energy: -54.799 flat angles P-C4'-P energy: -34.160 tors. eta vs tors. theta energy: -35.070 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: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -657.557327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.557327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.557327 (E_RNA) where: Base-Base interactions energy: -438.019 where: short stacking energy: -190.558 Base-Backbone interact. energy: -0.512 local terms energy: -219.026551 where: bonds (distance) C4'-P energy: -50.730 bonds (distance) P-C4' energy: -57.223 flat angles C4'-P-C4' energy: -44.820 flat angles P-C4'-P energy: -24.536 tors. eta vs tors. theta energy: -41.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -447.588257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.588257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.588257 (E_RNA) where: Base-Base interactions energy: -239.901 where: short stacking energy: -144.169 Base-Backbone interact. energy: -2.007 local terms energy: -205.679700 where: bonds (distance) C4'-P energy: -40.441 bonds (distance) P-C4' energy: -56.321 flat angles C4'-P-C4' energy: -49.234 flat angles P-C4'-P energy: -40.870 tors. eta vs tors. theta energy: -18.814 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: 4 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1225.846125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.846125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.846125 (E_RNA) where: Base-Base interactions energy: -865.761 where: short stacking energy: -380.745 Base-Backbone interact. energy: -1.075 local terms energy: -359.009606 where: bonds (distance) C4'-P energy: -57.686 bonds (distance) P-C4' energy: -67.347 flat angles C4'-P-C4' energy: -75.535 flat angles P-C4'-P energy: -43.956 tors. eta vs tors. theta energy: -114.485 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: 2, replica: 10 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1172.915496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.915496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.915496 (E_RNA) where: Base-Base interactions energy: -834.898 where: short stacking energy: -355.005 Base-Backbone interact. energy: -2.467 local terms energy: -335.550128 where: bonds (distance) C4'-P energy: -54.072 bonds (distance) P-C4' energy: -66.386 flat angles C4'-P-C4' energy: -77.510 flat angles P-C4'-P energy: -46.849 tors. eta vs tors. theta energy: -90.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1077.110458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.110458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.110458 (E_RNA) where: Base-Base interactions energy: -745.235 where: short stacking energy: -301.113 Base-Backbone interact. energy: -1.820 local terms energy: -330.055597 where: bonds (distance) C4'-P energy: -67.035 bonds (distance) P-C4' energy: -58.446 flat angles C4'-P-C4' energy: -74.385 flat angles P-C4'-P energy: -41.987 tors. eta vs tors. theta energy: -88.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1029.973723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.973723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.973723 (E_RNA) where: Base-Base interactions energy: -728.494 where: short stacking energy: -300.885 Base-Backbone interact. energy: -1.554 local terms energy: -299.926432 where: bonds (distance) C4'-P energy: -50.386 bonds (distance) P-C4' energy: -54.193 flat angles C4'-P-C4' energy: -75.937 flat angles P-C4'-P energy: -52.580 tors. eta vs tors. theta energy: -66.830 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: 5, replica: 8 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -883.184231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.184231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.184231 (E_RNA) where: Base-Base interactions energy: -608.886 where: short stacking energy: -277.558 Base-Backbone interact. energy: 0.617 local terms energy: -274.915526 where: bonds (distance) C4'-P energy: -51.704 bonds (distance) P-C4' energy: -51.270 flat angles C4'-P-C4' energy: -70.397 flat angles P-C4'-P energy: -33.278 tors. eta vs tors. theta energy: -68.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -825.057556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.057556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.057556 (E_RNA) where: Base-Base interactions energy: -540.292 where: short stacking energy: -248.983 Base-Backbone interact. energy: -1.290 local terms energy: -283.475363 where: bonds (distance) C4'-P energy: -57.764 bonds (distance) P-C4' energy: -51.551 flat angles C4'-P-C4' energy: -62.608 flat angles P-C4'-P energy: -44.413 tors. eta vs tors. theta energy: -67.139 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: 7, replica: 7 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -757.878742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.878742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.878742 (E_RNA) where: Base-Base interactions energy: -511.965 where: short stacking energy: -227.847 Base-Backbone interact. energy: -1.546 local terms energy: -244.368236 where: bonds (distance) C4'-P energy: -50.719 bonds (distance) P-C4' energy: -49.168 flat angles C4'-P-C4' energy: -58.960 flat angles P-C4'-P energy: -43.005 tors. eta vs tors. theta energy: -42.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -738.967401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.967401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.967401 (E_RNA) where: Base-Base interactions energy: -494.014 where: short stacking energy: -232.294 Base-Backbone interact. energy: -1.886 local terms energy: -243.067585 where: bonds (distance) C4'-P energy: -43.320 bonds (distance) P-C4' energy: -62.136 flat angles C4'-P-C4' energy: -54.043 flat angles P-C4'-P energy: -30.597 tors. eta vs tors. theta energy: -52.972 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: 147 Temperature: 1.300000 Total energy: -634.132820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.132820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.132820 (E_RNA) where: Base-Base interactions energy: -407.648 where: short stacking energy: -199.023 Base-Backbone interact. energy: -0.692 local terms energy: -225.793222 where: bonds (distance) C4'-P energy: -53.774 bonds (distance) P-C4' energy: -48.606 flat angles C4'-P-C4' energy: -55.903 flat angles P-C4'-P energy: -33.024 tors. eta vs tors. theta energy: -34.485 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: 2 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -467.385517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.385517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.385517 (E_RNA) where: Base-Base interactions energy: -251.230 where: short stacking energy: -133.863 Base-Backbone interact. energy: 0.180 local terms energy: -216.335516 where: bonds (distance) C4'-P energy: -57.588 bonds (distance) P-C4' energy: -61.380 flat angles C4'-P-C4' energy: -56.663 flat angles P-C4'-P energy: -29.254 tors. eta vs tors. theta energy: -11.450 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: 4 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1218.072837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.072837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.072837 (E_RNA) where: Base-Base interactions energy: -845.665 where: short stacking energy: -378.678 Base-Backbone interact. energy: -1.704 local terms energy: -370.703355 where: bonds (distance) C4'-P energy: -53.629 bonds (distance) P-C4' energy: -67.437 flat angles C4'-P-C4' energy: -77.670 flat angles P-C4'-P energy: -55.121 tors. eta vs tors. theta energy: -116.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1154.255274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.255274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.255274 (E_RNA) where: Base-Base interactions energy: -809.194 where: short stacking energy: -344.334 Base-Backbone interact. energy: -0.715 local terms energy: -344.347086 where: bonds (distance) C4'-P energy: -56.490 bonds (distance) P-C4' energy: -72.583 flat angles C4'-P-C4' energy: -71.417 flat angles P-C4'-P energy: -53.925 tors. eta vs tors. theta energy: -89.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1062.777907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.777907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.777907 (E_RNA) where: Base-Base interactions energy: -726.904 where: short stacking energy: -319.022 Base-Backbone interact. energy: -3.021 local terms energy: -332.852638 where: bonds (distance) C4'-P energy: -61.202 bonds (distance) P-C4' energy: -62.886 flat angles C4'-P-C4' energy: -69.016 flat angles P-C4'-P energy: -56.847 tors. eta vs tors. theta energy: -82.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1032.821882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.821882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.821882 (E_RNA) where: Base-Base interactions energy: -738.794 where: short stacking energy: -294.229 Base-Backbone interact. energy: -2.090 local terms energy: -291.938203 where: bonds (distance) C4'-P energy: -55.593 bonds (distance) P-C4' energy: -64.954 flat angles C4'-P-C4' energy: -64.290 flat angles P-C4'-P energy: -44.638 tors. eta vs tors. theta energy: -62.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -876.426348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.426348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.426348 (E_RNA) where: Base-Base interactions energy: -608.736 where: short stacking energy: -257.817 Base-Backbone interact. energy: 0.831 local terms energy: -268.521512 where: bonds (distance) C4'-P energy: -50.927 bonds (distance) P-C4' energy: -61.992 flat angles C4'-P-C4' energy: -56.091 flat angles P-C4'-P energy: -41.989 tors. eta vs tors. theta energy: -57.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -799.250928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.250928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.250928 (E_RNA) where: Base-Base interactions energy: -525.293 where: short stacking energy: -227.435 Base-Backbone interact. energy: -0.427 local terms energy: -273.531197 where: bonds (distance) C4'-P energy: -60.896 bonds (distance) P-C4' energy: -62.857 flat angles C4'-P-C4' energy: -51.200 flat angles P-C4'-P energy: -46.625 tors. eta vs tors. theta energy: -51.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -742.323140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.323140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.323140 (E_RNA) where: Base-Base interactions energy: -519.736 where: short stacking energy: -227.274 Base-Backbone interact. energy: 0.654 local terms energy: -223.241431 where: bonds (distance) C4'-P energy: -58.761 bonds (distance) P-C4' energy: -49.669 flat angles C4'-P-C4' energy: -47.517 flat angles P-C4'-P energy: -35.051 tors. eta vs tors. theta energy: -32.243 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: 7 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -752.405519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.405519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.405519 (E_RNA) where: Base-Base interactions energy: -526.343 where: short stacking energy: -243.046 Base-Backbone interact. energy: 1.163 local terms energy: -227.224991 where: bonds (distance) C4'-P energy: -44.544 bonds (distance) P-C4' energy: -46.868 flat angles C4'-P-C4' energy: -50.345 flat angles P-C4'-P energy: -36.642 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: 9, replica: 3 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -588.927420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.927420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.927420 (E_RNA) where: Base-Base interactions energy: -354.460 where: short stacking energy: -186.554 Base-Backbone interact. energy: -1.058 local terms energy: -233.409428 where: bonds (distance) C4'-P energy: -47.002 bonds (distance) P-C4' energy: -59.126 flat angles C4'-P-C4' energy: -57.289 flat angles P-C4'-P energy: -28.584 tors. eta vs tors. theta energy: -41.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -473.239765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.239765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.239765 (E_RNA) where: Base-Base interactions energy: -243.698 where: short stacking energy: -129.625 Base-Backbone interact. energy: 2.837 local terms energy: -232.378619 where: bonds (distance) C4'-P energy: -55.239 bonds (distance) P-C4' energy: -64.764 flat angles C4'-P-C4' energy: -62.210 flat angles P-C4'-P energy: -35.074 tors. eta vs tors. theta energy: -15.092 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: 1, replica: 4 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1201.235496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.235496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.235496 (E_RNA) where: Base-Base interactions energy: -835.280 where: short stacking energy: -370.076 Base-Backbone interact. energy: -1.698 local terms energy: -364.257645 where: bonds (distance) C4'-P energy: -64.353 bonds (distance) P-C4' energy: -62.031 flat angles C4'-P-C4' energy: -74.286 flat angles P-C4'-P energy: -49.469 tors. eta vs tors. theta energy: -114.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1154.080072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.080072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.080072 (E_RNA) where: Base-Base interactions energy: -822.258 where: short stacking energy: -351.894 Base-Backbone interact. energy: -0.244 local terms energy: -331.577827 where: bonds (distance) C4'-P energy: -63.810 bonds (distance) P-C4' energy: -64.556 flat angles C4'-P-C4' energy: -68.004 flat angles P-C4'-P energy: -45.931 tors. eta vs tors. theta energy: -89.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1092.088386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.088386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.088386 (E_RNA) where: Base-Base interactions energy: -761.691 where: short stacking energy: -325.427 Base-Backbone interact. energy: -5.879 local terms energy: -324.518468 where: bonds (distance) C4'-P energy: -61.828 bonds (distance) P-C4' energy: -60.587 flat angles C4'-P-C4' energy: -72.434 flat angles P-C4'-P energy: -48.651 tors. eta vs tors. theta energy: -81.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1002.717786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.717786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.717786 (E_RNA) where: Base-Base interactions energy: -697.224 where: short stacking energy: -276.960 Base-Backbone interact. energy: -1.886 local terms energy: -303.607786 where: bonds (distance) C4'-P energy: -61.905 bonds (distance) P-C4' energy: -59.896 flat angles C4'-P-C4' energy: -65.976 flat angles P-C4'-P energy: -46.294 tors. eta vs tors. theta energy: -69.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -882.942338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.942338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.942338 (E_RNA) where: Base-Base interactions energy: -607.330 where: short stacking energy: -252.762 Base-Backbone interact. energy: -0.725 local terms energy: -274.887828 where: bonds (distance) C4'-P energy: -54.301 bonds (distance) P-C4' energy: -60.770 flat angles C4'-P-C4' energy: -64.916 flat angles P-C4'-P energy: -33.898 tors. eta vs tors. theta energy: -61.003 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: 5 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -854.730345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.730345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.730345 (E_RNA) where: Base-Base interactions energy: -570.559 where: short stacking energy: -262.481 Base-Backbone interact. energy: -3.283 local terms energy: -280.888558 where: bonds (distance) C4'-P energy: -48.944 bonds (distance) P-C4' energy: -51.465 flat angles C4'-P-C4' energy: -63.647 flat angles P-C4'-P energy: -53.014 tors. eta vs tors. theta energy: -63.819 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: 9 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -735.637895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.637895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.637895 (E_RNA) where: Base-Base interactions energy: -477.002 where: short stacking energy: -214.522 Base-Backbone interact. energy: -1.935 local terms energy: -256.700597 where: bonds (distance) C4'-P energy: -66.633 bonds (distance) P-C4' energy: -58.821 flat angles C4'-P-C4' energy: -63.487 flat angles P-C4'-P energy: -29.441 tors. eta vs tors. theta energy: -38.319 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: 8, replica: 7 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -805.915795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.915795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.915795 (E_RNA) where: Base-Base interactions energy: -556.693 where: short stacking energy: -243.619 Base-Backbone interact. energy: -1.583 local terms energy: -247.639840 where: bonds (distance) C4'-P energy: -49.677 bonds (distance) P-C4' energy: -54.437 flat angles C4'-P-C4' energy: -56.800 flat angles P-C4'-P energy: -31.284 tors. eta vs tors. theta energy: -55.442 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: 149 Temperature: 1.300000 Total energy: -574.103343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.103343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.103343 (E_RNA) where: Base-Base interactions energy: -364.122 where: short stacking energy: -162.591 Base-Backbone interact. energy: -1.511 local terms energy: -208.470446 where: bonds (distance) C4'-P energy: -47.252 bonds (distance) P-C4' energy: -53.415 flat angles C4'-P-C4' energy: -55.928 flat angles P-C4'-P energy: -30.596 tors. eta vs tors. theta energy: -21.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -455.149275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.149275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.149275 (E_RNA) where: Base-Base interactions energy: -256.266 where: short stacking energy: -128.245 Base-Backbone interact. energy: -1.238 local terms energy: -197.645190 where: bonds (distance) C4'-P energy: -58.617 bonds (distance) P-C4' energy: -64.673 flat angles C4'-P-C4' energy: -27.091 flat angles P-C4'-P energy: -25.419 tors. eta vs tors. theta energy: -21.846 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: 4 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1211.969569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.969569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.969569 (E_RNA) where: Base-Base interactions energy: -852.876 where: short stacking energy: -376.212 Base-Backbone interact. energy: -1.062 local terms energy: -358.031839 where: bonds (distance) C4'-P energy: -61.537 bonds (distance) P-C4' energy: -60.332 flat angles C4'-P-C4' energy: -71.831 flat angles P-C4'-P energy: -49.353 tors. eta vs tors. theta energy: -114.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1162.132158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.132158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.132158 (E_RNA) where: Base-Base interactions energy: -819.006 where: short stacking energy: -352.282 Base-Backbone interact. energy: -0.254 local terms energy: -342.871603 where: bonds (distance) C4'-P energy: -54.846 bonds (distance) P-C4' energy: -74.117 flat angles C4'-P-C4' energy: -78.738 flat angles P-C4'-P energy: -38.948 tors. eta vs tors. theta energy: -96.223 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: 6 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1093.171838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.171838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.171838 (E_RNA) where: Base-Base interactions energy: -782.924 where: short stacking energy: -339.002 Base-Backbone interact. energy: -1.628 local terms energy: -308.620249 where: bonds (distance) C4'-P energy: -40.842 bonds (distance) P-C4' energy: -54.702 flat angles C4'-P-C4' energy: -76.229 flat angles P-C4'-P energy: -43.824 tors. eta vs tors. theta energy: -93.024 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: 1 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1025.192058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.192058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.192058 (E_RNA) where: Base-Base interactions energy: -739.830 where: short stacking energy: -287.941 Base-Backbone interact. energy: 2.370 local terms energy: -287.732077 where: bonds (distance) C4'-P energy: -55.694 bonds (distance) P-C4' energy: -71.788 flat angles C4'-P-C4' energy: -64.842 flat angles P-C4'-P energy: -34.845 tors. eta vs tors. theta energy: -60.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -880.201278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.201278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.201278 (E_RNA) where: Base-Base interactions energy: -580.633 where: short stacking energy: -276.344 Base-Backbone interact. energy: -0.597 local terms energy: -298.971713 where: bonds (distance) C4'-P energy: -57.977 bonds (distance) P-C4' energy: -65.636 flat angles C4'-P-C4' energy: -60.258 flat angles P-C4'-P energy: -46.748 tors. eta vs tors. theta energy: -68.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -828.005781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.005781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.005781 (E_RNA) where: Base-Base interactions energy: -568.595 where: short stacking energy: -237.056 Base-Backbone interact. energy: -1.137 local terms energy: -258.273872 where: bonds (distance) C4'-P energy: -56.930 bonds (distance) P-C4' energy: -57.986 flat angles C4'-P-C4' energy: -51.672 flat angles P-C4'-P energy: -44.786 tors. eta vs tors. theta energy: -46.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -784.577281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.577281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.577281 (E_RNA) where: Base-Base interactions energy: -527.102 where: short stacking energy: -241.124 Base-Backbone interact. energy: 0.701 local terms energy: -258.176149 where: bonds (distance) C4'-P energy: -55.578 bonds (distance) P-C4' energy: -60.790 flat angles C4'-P-C4' energy: -51.721 flat angles P-C4'-P energy: -36.482 tors. eta vs tors. theta energy: -53.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -757.776975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.776975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.776975 (E_RNA) where: Base-Base interactions energy: -500.909 where: short stacking energy: -216.151 Base-Backbone interact. energy: -0.541 local terms energy: -256.326996 where: bonds (distance) C4'-P energy: -60.581 bonds (distance) P-C4' energy: -57.390 flat angles C4'-P-C4' energy: -57.810 flat angles P-C4'-P energy: -35.500 tors. eta vs tors. theta energy: -45.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -602.695344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.695344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.695344 (E_RNA) where: Base-Base interactions energy: -369.800 where: short stacking energy: -191.232 Base-Backbone interact. energy: -2.698 local terms energy: -230.196795 where: bonds (distance) C4'-P energy: -60.314 bonds (distance) P-C4' energy: -48.709 flat angles C4'-P-C4' energy: -53.986 flat angles P-C4'-P energy: -34.216 tors. eta vs tors. theta energy: -32.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -444.808915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.808915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.808915 (E_RNA) where: Base-Base interactions energy: -257.566 where: short stacking energy: -133.563 Base-Backbone interact. energy: -2.245 local terms energy: -184.998193 where: bonds (distance) C4'-P energy: -45.531 bonds (distance) P-C4' energy: -60.405 flat angles C4'-P-C4' energy: -43.715 flat angles P-C4'-P energy: -24.022 tors. eta vs tors. theta energy: -11.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1196.845253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.845253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.845253 (E_RNA) where: Base-Base interactions energy: -826.728 where: short stacking energy: -359.938 Base-Backbone interact. energy: -0.218 local terms energy: -369.899529 where: bonds (distance) C4'-P energy: -64.804 bonds (distance) P-C4' energy: -66.538 flat angles C4'-P-C4' energy: -70.223 flat angles P-C4'-P energy: -56.046 tors. eta vs tors. theta energy: -112.289 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: 10 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1164.331803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.331803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.331803 (E_RNA) where: Base-Base interactions energy: -821.254 where: short stacking energy: -350.457 Base-Backbone interact. energy: 4.851 local terms energy: -347.929629 where: bonds (distance) C4'-P energy: -60.876 bonds (distance) P-C4' energy: -67.884 flat angles C4'-P-C4' energy: -66.000 flat angles P-C4'-P energy: -54.298 tors. eta vs tors. theta energy: -98.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1105.505717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.505717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.505717 (E_RNA) where: Base-Base interactions energy: -768.573 where: short stacking energy: -337.083 Base-Backbone interact. energy: -3.284 local terms energy: -333.648374 where: bonds (distance) C4'-P energy: -61.249 bonds (distance) P-C4' energy: -67.685 flat angles C4'-P-C4' energy: -70.400 flat angles P-C4'-P energy: -49.188 tors. eta vs tors. theta energy: -85.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1022.206433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.206433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.206433 (E_RNA) where: Base-Base interactions energy: -721.571 where: short stacking energy: -301.866 Base-Backbone interact. energy: -2.679 local terms energy: -297.956347 where: bonds (distance) C4'-P energy: -62.545 bonds (distance) P-C4' energy: -61.620 flat angles C4'-P-C4' energy: -61.902 flat angles P-C4'-P energy: -33.214 tors. eta vs tors. theta energy: -78.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -871.540052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.540052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.540052 (E_RNA) where: Base-Base interactions energy: -586.346 where: short stacking energy: -256.541 Base-Backbone interact. energy: 0.236 local terms energy: -285.429644 where: bonds (distance) C4'-P energy: -56.435 bonds (distance) P-C4' energy: -59.262 flat angles C4'-P-C4' energy: -57.793 flat angles P-C4'-P energy: -45.067 tors. eta vs tors. theta energy: -66.873 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: 8 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -836.025258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.025258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.025258 (E_RNA) where: Base-Base interactions energy: -572.244 where: short stacking energy: -265.619 Base-Backbone interact. energy: -1.697 local terms energy: -262.084519 where: bonds (distance) C4'-P energy: -56.941 bonds (distance) P-C4' energy: -61.044 flat angles C4'-P-C4' energy: -59.246 flat angles P-C4'-P energy: -28.958 tors. eta vs tors. theta energy: -55.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -802.868350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.868350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.868350 (E_RNA) where: Base-Base interactions energy: -534.008 where: short stacking energy: -221.069 Base-Backbone interact. energy: -0.663 local terms energy: -268.197598 where: bonds (distance) C4'-P energy: -49.933 bonds (distance) P-C4' energy: -57.156 flat angles C4'-P-C4' energy: -65.864 flat angles P-C4'-P energy: -40.032 tors. eta vs tors. theta energy: -55.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -758.994995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.994995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.994995 (E_RNA) where: Base-Base interactions energy: -516.332 where: short stacking energy: -220.066 Base-Backbone interact. energy: 0.733 local terms energy: -243.396243 where: bonds (distance) C4'-P energy: -61.799 bonds (distance) P-C4' energy: -36.958 flat angles C4'-P-C4' energy: -67.781 flat angles P-C4'-P energy: -34.715 tors. eta vs tors. theta energy: -42.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -577.682506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.682506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.682506 (E_RNA) where: Base-Base interactions energy: -345.562 where: short stacking energy: -153.830 Base-Backbone interact. energy: -2.406 local terms energy: -229.715201 where: bonds (distance) C4'-P energy: -57.512 bonds (distance) P-C4' energy: -56.596 flat angles C4'-P-C4' energy: -55.947 flat angles P-C4'-P energy: -44.238 tors. eta vs tors. theta energy: -15.422 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: 2 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -465.161468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.161468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.161468 (E_RNA) where: Base-Base interactions energy: -268.378 where: short stacking energy: -125.487 Base-Backbone interact. energy: 3.228 local terms energy: -200.011518 where: bonds (distance) C4'-P energy: -47.532 bonds (distance) P-C4' energy: -55.814 flat angles C4'-P-C4' energy: -64.362 flat angles P-C4'-P energy: -22.240 tors. eta vs tors. theta energy: -10.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1210.291994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.291994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.291994 (E_RNA) where: Base-Base interactions energy: -840.036 where: short stacking energy: -367.432 Base-Backbone interact. energy: -1.757 local terms energy: -368.499055 where: bonds (distance) C4'-P energy: -57.297 bonds (distance) P-C4' energy: -73.679 flat angles C4'-P-C4' energy: -75.366 flat angles P-C4'-P energy: -55.569 tors. eta vs tors. theta energy: -106.587 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: 10 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1156.298688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.298688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.298688 (E_RNA) where: Base-Base interactions energy: -797.833 where: short stacking energy: -339.643 Base-Backbone interact. energy: -2.574 local terms energy: -355.892293 where: bonds (distance) C4'-P energy: -60.753 bonds (distance) P-C4' energy: -67.053 flat angles C4'-P-C4' energy: -74.872 flat angles P-C4'-P energy: -54.650 tors. eta vs tors. theta energy: -98.566 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: 1 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1058.046734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.046734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.046734 (E_RNA) where: Base-Base interactions energy: -763.764 where: short stacking energy: -301.400 Base-Backbone interact. energy: -1.139 local terms energy: -293.144251 where: bonds (distance) C4'-P energy: -52.309 bonds (distance) P-C4' energy: -56.878 flat angles C4'-P-C4' energy: -76.758 flat angles P-C4'-P energy: -42.065 tors. eta vs tors. theta energy: -65.134 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: 152 Temperature: 1.050000 Total energy: -1076.882571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.882571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.882571 (E_RNA) where: Base-Base interactions energy: -753.460 where: short stacking energy: -324.642 Base-Backbone interact. energy: -2.387 local terms energy: -321.035111 where: bonds (distance) C4'-P energy: -54.962 bonds (distance) P-C4' energy: -65.383 flat angles C4'-P-C4' energy: -69.706 flat angles P-C4'-P energy: -42.354 tors. eta vs tors. theta energy: -88.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -908.836968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.836968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.836968 (E_RNA) where: Base-Base interactions energy: -605.294 where: short stacking energy: -288.532 Base-Backbone interact. energy: -1.525 local terms energy: -302.018022 where: bonds (distance) C4'-P energy: -54.792 bonds (distance) P-C4' energy: -61.069 flat angles C4'-P-C4' energy: -68.954 flat angles P-C4'-P energy: -44.478 tors. eta vs tors. theta energy: -72.725 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: 8 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -855.713230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.713230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.713230 (E_RNA) where: Base-Base interactions energy: -571.653 where: short stacking energy: -244.646 Base-Backbone interact. energy: 0.596 local terms energy: -284.656030 where: bonds (distance) C4'-P energy: -65.981 bonds (distance) P-C4' energy: -51.559 flat angles C4'-P-C4' energy: -70.668 flat angles P-C4'-P energy: -39.297 tors. eta vs tors. theta energy: -57.152 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: 7 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -778.909370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.909370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.909370 (E_RNA) where: Base-Base interactions energy: -503.131 where: short stacking energy: -244.027 Base-Backbone interact. energy: -0.761 local terms energy: -275.017961 where: bonds (distance) C4'-P energy: -54.985 bonds (distance) P-C4' energy: -65.576 flat angles C4'-P-C4' energy: -58.444 flat angles P-C4'-P energy: -32.174 tors. eta vs tors. theta energy: -63.839 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: 9 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -743.294392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.294392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.294392 (E_RNA) where: Base-Base interactions energy: -484.640 where: short stacking energy: -226.036 Base-Backbone interact. energy: 4.753 local terms energy: -263.408001 where: bonds (distance) C4'-P energy: -55.614 bonds (distance) P-C4' energy: -56.281 flat angles C4'-P-C4' energy: -55.612 flat angles P-C4'-P energy: -40.666 tors. eta vs tors. theta energy: -55.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -452.455093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.455093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.455093 (E_RNA) where: Base-Base interactions energy: -254.871 where: short stacking energy: -134.647 Base-Backbone interact. energy: 0.872 local terms energy: -198.456374 where: bonds (distance) C4'-P energy: -48.618 bonds (distance) P-C4' energy: -54.803 flat angles C4'-P-C4' energy: -50.875 flat angles P-C4'-P energy: -27.472 tors. eta vs tors. theta energy: -16.689 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: 3 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -530.629006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.629006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.629006 (E_RNA) where: Base-Base interactions energy: -326.678 where: short stacking energy: -136.936 Base-Backbone interact. energy: 1.070 local terms energy: -205.020819 where: bonds (distance) C4'-P energy: -58.746 bonds (distance) P-C4' energy: -50.033 flat angles C4'-P-C4' energy: -47.303 flat angles P-C4'-P energy: -33.438 tors. eta vs tors. theta energy: -15.501 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: 153 Temperature: 0.900000 Total energy: -1192.193312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.193312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.193312 (E_RNA) where: Base-Base interactions energy: -829.311 where: short stacking energy: -370.785 Base-Backbone interact. energy: -0.535 local terms energy: -362.347416 where: bonds (distance) C4'-P energy: -63.387 bonds (distance) P-C4' energy: -66.893 flat angles C4'-P-C4' energy: -71.012 flat angles P-C4'-P energy: -52.620 tors. eta vs tors. theta energy: -108.436 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: 10 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1161.606684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.606684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.606684 (E_RNA) where: Base-Base interactions energy: -825.787 where: short stacking energy: -353.225 Base-Backbone interact. energy: 4.909 local terms energy: -340.729319 where: bonds (distance) C4'-P energy: -60.162 bonds (distance) P-C4' energy: -63.472 flat angles C4'-P-C4' energy: -73.865 flat angles P-C4'-P energy: -49.828 tors. eta vs tors. theta energy: -93.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1086.569032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.569032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.569032 (E_RNA) where: Base-Base interactions energy: -756.190 where: short stacking energy: -295.683 Base-Backbone interact. energy: -1.429 local terms energy: -328.950196 where: bonds (distance) C4'-P energy: -59.487 bonds (distance) P-C4' energy: -71.387 flat angles C4'-P-C4' energy: -72.289 flat angles P-C4'-P energy: -53.004 tors. eta vs tors. theta energy: -72.784 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: 6 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1049.401300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.401300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.401300 (E_RNA) where: Base-Base interactions energy: -747.412 where: short stacking energy: -314.046 Base-Backbone interact. energy: 2.503 local terms energy: -304.491367 where: bonds (distance) C4'-P energy: -51.671 bonds (distance) P-C4' energy: -59.092 flat angles C4'-P-C4' energy: -71.680 flat angles P-C4'-P energy: -38.231 tors. eta vs tors. theta energy: -83.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -923.472756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.472756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.472756 (E_RNA) where: Base-Base interactions energy: -650.256 where: short stacking energy: -271.656 Base-Backbone interact. energy: -0.599 local terms energy: -272.617899 where: bonds (distance) C4'-P energy: -51.810 bonds (distance) P-C4' energy: -59.268 flat angles C4'-P-C4' energy: -49.161 flat angles P-C4'-P energy: -49.155 tors. eta vs tors. theta energy: -63.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -795.900335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.900335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.900335 (E_RNA) where: Base-Base interactions energy: -550.850 where: short stacking energy: -245.592 Base-Backbone interact. energy: -0.503 local terms energy: -244.547600 where: bonds (distance) C4'-P energy: -54.108 bonds (distance) P-C4' energy: -47.904 flat angles C4'-P-C4' energy: -55.013 flat angles P-C4'-P energy: -36.629 tors. eta vs tors. theta energy: -50.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -865.247774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.247774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.247774 (E_RNA) where: Base-Base interactions energy: -587.109 where: short stacking energy: -247.696 Base-Backbone interact. energy: 1.525 local terms energy: -279.663746 where: bonds (distance) C4'-P energy: -56.096 bonds (distance) P-C4' energy: -62.898 flat angles C4'-P-C4' energy: -67.145 flat angles P-C4'-P energy: -37.163 tors. eta vs tors. theta energy: -56.363 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: 9 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -708.490252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.490252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.490252 (E_RNA) where: Base-Base interactions energy: -457.116 where: short stacking energy: -201.275 Base-Backbone interact. energy: -1.536 local terms energy: -249.838700 where: bonds (distance) C4'-P energy: -62.454 bonds (distance) P-C4' energy: -62.612 flat angles C4'-P-C4' energy: -50.517 flat angles P-C4'-P energy: -31.267 tors. eta vs tors. theta energy: -42.989 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: 2 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -446.957552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.957552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.957552 (E_RNA) where: Base-Base interactions energy: -257.125 where: short stacking energy: -133.458 Base-Backbone interact. energy: -0.791 local terms energy: -189.041712 where: bonds (distance) C4'-P energy: -50.140 bonds (distance) P-C4' energy: -46.674 flat angles C4'-P-C4' energy: -49.100 flat angles P-C4'-P energy: -22.061 tors. eta vs tors. theta energy: -21.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -530.965294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.965294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.965294 (E_RNA) where: Base-Base interactions energy: -351.318 where: short stacking energy: -147.454 Base-Backbone interact. energy: 5.195 local terms energy: -184.841700 where: bonds (distance) C4'-P energy: -49.766 bonds (distance) P-C4' energy: -38.162 flat angles C4'-P-C4' energy: -42.559 flat angles P-C4'-P energy: -35.423 tors. eta vs tors. theta energy: -18.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1197.027788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.027788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.027788 (E_RNA) where: Base-Base interactions energy: -827.322 where: short stacking energy: -363.160 Base-Backbone interact. energy: -0.794 local terms energy: -368.911933 where: bonds (distance) C4'-P energy: -61.444 bonds (distance) P-C4' energy: -65.831 flat angles C4'-P-C4' energy: -73.549 flat angles P-C4'-P energy: -59.855 tors. eta vs tors. theta energy: -108.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1176.520332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.520332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.520332 (E_RNA) where: Base-Base interactions energy: -834.931 where: short stacking energy: -362.266 Base-Backbone interact. energy: -0.962 local terms energy: -340.627837 where: bonds (distance) C4'-P energy: -59.082 bonds (distance) P-C4' energy: -61.593 flat angles C4'-P-C4' energy: -74.658 flat angles P-C4'-P energy: -48.697 tors. eta vs tors. theta energy: -96.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1082.418575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.418575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.418575 (E_RNA) where: Base-Base interactions energy: -760.564 where: short stacking energy: -329.120 Base-Backbone interact. energy: -1.618 local terms energy: -320.236183 where: bonds (distance) C4'-P energy: -64.274 bonds (distance) P-C4' energy: -53.285 flat angles C4'-P-C4' energy: -71.313 flat angles P-C4'-P energy: -42.516 tors. eta vs tors. theta energy: -88.848 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: 1 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1053.921238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.921238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.921238 (E_RNA) where: Base-Base interactions energy: -738.611 where: short stacking energy: -290.495 Base-Backbone interact. energy: -1.268 local terms energy: -314.041608 where: bonds (distance) C4'-P energy: -66.268 bonds (distance) P-C4' energy: -61.570 flat angles C4'-P-C4' energy: -62.196 flat angles P-C4'-P energy: -49.296 tors. eta vs tors. theta energy: -74.711 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: 5 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -916.590080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.590080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.590080 (E_RNA) where: Base-Base interactions energy: -629.673 where: short stacking energy: -278.647 Base-Backbone interact. energy: -0.260 local terms energy: -286.657110 where: bonds (distance) C4'-P energy: -54.193 bonds (distance) P-C4' energy: -61.937 flat angles C4'-P-C4' energy: -53.659 flat angles P-C4'-P energy: -42.533 tors. eta vs tors. theta energy: -74.336 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: 7 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -839.172973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.172973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.172973 (E_RNA) where: Base-Base interactions energy: -561.279 where: short stacking energy: -261.142 Base-Backbone interact. energy: 0.197 local terms energy: -278.090182 where: bonds (distance) C4'-P energy: -62.247 bonds (distance) P-C4' energy: -52.064 flat angles C4'-P-C4' energy: -65.334 flat angles P-C4'-P energy: -34.652 tors. eta vs tors. theta energy: -63.792 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: 8 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -839.044021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.044021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.044021 (E_RNA) where: Base-Base interactions energy: -564.354 where: short stacking energy: -245.558 Base-Backbone interact. energy: -1.094 local terms energy: -273.596335 where: bonds (distance) C4'-P energy: -59.815 bonds (distance) P-C4' energy: -59.651 flat angles C4'-P-C4' energy: -64.251 flat angles P-C4'-P energy: -38.517 tors. eta vs tors. theta energy: -51.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -722.760799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.760799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.760799 (E_RNA) where: Base-Base interactions energy: -475.661 where: short stacking energy: -207.672 Base-Backbone interact. energy: -3.490 local terms energy: -243.610285 where: bonds (distance) C4'-P energy: -38.262 bonds (distance) P-C4' energy: -50.483 flat angles C4'-P-C4' energy: -67.874 flat angles P-C4'-P energy: -40.075 tors. eta vs tors. theta energy: -46.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -565.619380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.619380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.619380 (E_RNA) where: Base-Base interactions energy: -347.755 where: short stacking energy: -164.409 Base-Backbone interact. energy: -0.883 local terms energy: -216.981445 where: bonds (distance) C4'-P energy: -50.361 bonds (distance) P-C4' energy: -54.046 flat angles C4'-P-C4' energy: -38.886 flat angles P-C4'-P energy: -48.625 tors. eta vs tors. theta energy: -25.064 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: 2 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -451.544417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.544417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.544417 (E_RNA) where: Base-Base interactions energy: -253.847 where: short stacking energy: -121.946 Base-Backbone interact. energy: 2.719 local terms energy: -200.416374 where: bonds (distance) C4'-P energy: -62.723 bonds (distance) P-C4' energy: -56.335 flat angles C4'-P-C4' energy: -41.722 flat angles P-C4'-P energy: -25.423 tors. eta vs tors. theta energy: -14.213 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: 4 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1185.170842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.170842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.170842 (E_RNA) where: Base-Base interactions energy: -831.328 where: short stacking energy: -366.412 Base-Backbone interact. energy: -1.666 local terms energy: -352.176959 where: bonds (distance) C4'-P energy: -56.221 bonds (distance) P-C4' energy: -68.957 flat angles C4'-P-C4' energy: -74.609 flat angles P-C4'-P energy: -51.687 tors. eta vs tors. theta energy: -100.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1154.490322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.490322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.490322 (E_RNA) where: Base-Base interactions energy: -809.157 where: short stacking energy: -342.909 Base-Backbone interact. energy: -2.150 local terms energy: -343.183056 where: bonds (distance) C4'-P energy: -53.896 bonds (distance) P-C4' energy: -64.547 flat angles C4'-P-C4' energy: -82.159 flat angles P-C4'-P energy: -47.447 tors. eta vs tors. theta energy: -95.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1089.545937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.545937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.545937 (E_RNA) where: Base-Base interactions energy: -759.694 where: short stacking energy: -327.147 Base-Backbone interact. energy: -4.426 local terms energy: -325.425319 where: bonds (distance) C4'-P energy: -65.804 bonds (distance) P-C4' energy: -52.156 flat angles C4'-P-C4' energy: -70.157 flat angles P-C4'-P energy: -44.679 tors. eta vs tors. theta energy: -92.629 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: 1 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1018.776383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.776383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.776383 (E_RNA) where: Base-Base interactions energy: -726.090 where: short stacking energy: -278.307 Base-Backbone interact. energy: 4.302 local terms energy: -296.988143 where: bonds (distance) C4'-P energy: -64.735 bonds (distance) P-C4' energy: -59.100 flat angles C4'-P-C4' energy: -72.562 flat angles P-C4'-P energy: -34.524 tors. eta vs tors. theta energy: -66.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -924.264779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.264779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.264779 (E_RNA) where: Base-Base interactions energy: -640.681 where: short stacking energy: -273.892 Base-Backbone interact. energy: 4.634 local terms energy: -288.218303 where: bonds (distance) C4'-P energy: -57.619 bonds (distance) P-C4' energy: -57.930 flat angles C4'-P-C4' energy: -62.375 flat angles P-C4'-P energy: -44.489 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: 6, replica: 7 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -820.196467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.196467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.196467 (E_RNA) where: Base-Base interactions energy: -561.252 where: short stacking energy: -245.844 Base-Backbone interact. energy: -1.320 local terms energy: -257.624633 where: bonds (distance) C4'-P energy: -56.895 bonds (distance) P-C4' energy: -58.814 flat angles C4'-P-C4' energy: -57.948 flat angles P-C4'-P energy: -37.184 tors. eta vs tors. theta energy: -46.784 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: 8 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -797.237531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.237531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.237531 (E_RNA) where: Base-Base interactions energy: -547.220 where: short stacking energy: -247.146 Base-Backbone interact. energy: -0.939 local terms energy: -249.079445 where: bonds (distance) C4'-P energy: -57.739 bonds (distance) P-C4' energy: -47.876 flat angles C4'-P-C4' energy: -71.451 flat angles P-C4'-P energy: -24.954 tors. eta vs tors. theta energy: -47.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -694.884837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.884837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.884837 (E_RNA) where: Base-Base interactions energy: -453.175 where: short stacking energy: -207.381 Base-Backbone interact. energy: -0.741 local terms energy: -240.969128 where: bonds (distance) C4'-P energy: -59.407 bonds (distance) P-C4' energy: -58.032 flat angles C4'-P-C4' energy: -52.878 flat angles P-C4'-P energy: -31.123 tors. eta vs tors. theta energy: -39.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -598.381910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.381910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.381910 (E_RNA) where: Base-Base interactions energy: -391.892 where: short stacking energy: -193.189 Base-Backbone interact. energy: 1.563 local terms energy: -208.052763 where: bonds (distance) C4'-P energy: -35.432 bonds (distance) P-C4' energy: -60.310 flat angles C4'-P-C4' energy: -53.219 flat angles P-C4'-P energy: -35.197 tors. eta vs tors. theta energy: -23.894 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: 2 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -429.761255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.761255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.761255 (E_RNA) where: Base-Base interactions energy: -237.904 where: short stacking energy: -139.219 Base-Backbone interact. energy: -0.246 local terms energy: -191.611453 where: bonds (distance) C4'-P energy: -48.191 bonds (distance) P-C4' energy: -56.976 flat angles C4'-P-C4' energy: -49.594 flat angles P-C4'-P energy: -25.759 tors. eta vs tors. theta energy: -11.092 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: 1, replica: 4 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1183.496387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.496387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.496387 (E_RNA) where: Base-Base interactions energy: -814.685 where: short stacking energy: -374.030 Base-Backbone interact. energy: -0.120 local terms energy: -368.692189 where: bonds (distance) C4'-P energy: -70.949 bonds (distance) P-C4' energy: -63.375 flat angles C4'-P-C4' energy: -71.386 flat angles P-C4'-P energy: -49.118 tors. eta vs tors. theta energy: -113.865 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: 10 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1161.070218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.070218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.070218 (E_RNA) where: Base-Base interactions energy: -824.229 where: short stacking energy: -337.364 Base-Backbone interact. energy: -1.460 local terms energy: -335.380681 where: bonds (distance) C4'-P energy: -58.975 bonds (distance) P-C4' energy: -69.649 flat angles C4'-P-C4' energy: -66.674 flat angles P-C4'-P energy: -46.405 tors. eta vs tors. theta energy: -93.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1100.464299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.464299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.464299 (E_RNA) where: Base-Base interactions energy: -767.321 where: short stacking energy: -313.342 Base-Backbone interact. energy: -1.567 local terms energy: -331.576788 where: bonds (distance) C4'-P energy: -63.434 bonds (distance) P-C4' energy: -60.917 flat angles C4'-P-C4' energy: -72.189 flat angles P-C4'-P energy: -51.258 tors. eta vs tors. theta energy: -83.778 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: 1 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1031.199566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.199566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.199566 (E_RNA) where: Base-Base interactions energy: -738.243 where: short stacking energy: -315.180 Base-Backbone interact. energy: -1.567 local terms energy: -291.389833 where: bonds (distance) C4'-P energy: -53.184 bonds (distance) P-C4' energy: -62.220 flat angles C4'-P-C4' energy: -73.018 flat angles P-C4'-P energy: -33.190 tors. eta vs tors. theta energy: -69.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -918.804219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.804219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.804219 (E_RNA) where: Base-Base interactions energy: -621.293 where: short stacking energy: -274.869 Base-Backbone interact. energy: 2.566 local terms energy: -300.077459 where: bonds (distance) C4'-P energy: -54.934 bonds (distance) P-C4' energy: -56.677 flat angles C4'-P-C4' energy: -67.016 flat angles P-C4'-P energy: -51.378 tors. eta vs tors. theta energy: -70.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -873.867410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.867410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.867410 (E_RNA) where: Base-Base interactions energy: -585.212 where: short stacking energy: -261.755 Base-Backbone interact. energy: -3.633 local terms energy: -285.022976 where: bonds (distance) C4'-P energy: -50.963 bonds (distance) P-C4' energy: -52.531 flat angles C4'-P-C4' energy: -68.349 flat angles P-C4'-P energy: -41.695 tors. eta vs tors. theta energy: -71.486 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: 8 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -826.924928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.924928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.924928 (E_RNA) where: Base-Base interactions energy: -569.313 where: short stacking energy: -242.445 Base-Backbone interact. energy: -1.645 local terms energy: -255.967529 where: bonds (distance) C4'-P energy: -66.631 bonds (distance) P-C4' energy: -40.684 flat angles C4'-P-C4' energy: -61.144 flat angles P-C4'-P energy: -42.496 tors. eta vs tors. theta energy: -45.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -738.716337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.716337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.716337 (E_RNA) where: Base-Base interactions energy: -490.539 where: short stacking energy: -228.246 Base-Backbone interact. energy: -0.117 local terms energy: -248.060353 where: bonds (distance) C4'-P energy: -46.114 bonds (distance) P-C4' energy: -58.545 flat angles C4'-P-C4' energy: -56.126 flat angles P-C4'-P energy: -34.462 tors. eta vs tors. theta energy: -52.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -608.721147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.721147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.721147 (E_RNA) where: Base-Base interactions energy: -384.648 where: short stacking energy: -181.176 Base-Backbone interact. energy: -0.912 local terms energy: -223.161797 where: bonds (distance) C4'-P energy: -50.672 bonds (distance) P-C4' energy: -56.426 flat angles C4'-P-C4' energy: -51.383 flat angles P-C4'-P energy: -34.108 tors. eta vs tors. theta energy: -30.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -424.155825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.155825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.155825 (E_RNA) where: Base-Base interactions energy: -236.648 where: short stacking energy: -116.951 Base-Backbone interact. energy: 2.551 local terms energy: -190.058637 where: bonds (distance) C4'-P energy: -55.587 bonds (distance) P-C4' energy: -55.219 flat angles C4'-P-C4' energy: -46.910 flat angles P-C4'-P energy: -32.769 tors. eta vs tors. theta energy: 0.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1186.046068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.046068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.046068 (E_RNA) where: Base-Base interactions energy: -811.121 where: short stacking energy: -365.675 Base-Backbone interact. energy: -0.182 local terms energy: -374.743941 where: bonds (distance) C4'-P energy: -70.929 bonds (distance) P-C4' energy: -69.681 flat angles C4'-P-C4' energy: -68.006 flat angles P-C4'-P energy: -54.930 tors. eta vs tors. theta energy: -111.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1187.296347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.296347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.296347 (E_RNA) where: Base-Base interactions energy: -847.385 where: short stacking energy: -342.876 Base-Backbone interact. energy: -4.994 local terms energy: -334.917367 where: bonds (distance) C4'-P energy: -50.090 bonds (distance) P-C4' energy: -62.486 flat angles C4'-P-C4' energy: -72.450 flat angles P-C4'-P energy: -56.653 tors. eta vs tors. theta energy: -93.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1097.814478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.814478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.814478 (E_RNA) where: Base-Base interactions energy: -780.614 where: short stacking energy: -322.156 Base-Backbone interact. energy: -1.835 local terms energy: -315.365826 where: bonds (distance) C4'-P energy: -50.529 bonds (distance) P-C4' energy: -52.412 flat angles C4'-P-C4' energy: -74.525 flat angles P-C4'-P energy: -51.301 tors. eta vs tors. theta energy: -86.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1057.179007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.179007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.179007 (E_RNA) where: Base-Base interactions energy: -735.029 where: short stacking energy: -316.804 Base-Backbone interact. energy: -2.397 local terms energy: -319.752759 where: bonds (distance) C4'-P energy: -49.329 bonds (distance) P-C4' energy: -65.311 flat angles C4'-P-C4' energy: -72.616 flat angles P-C4'-P energy: -52.519 tors. eta vs tors. theta energy: -79.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -923.225859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.225859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.225859 (E_RNA) where: Base-Base interactions energy: -615.881 where: short stacking energy: -283.158 Base-Backbone interact. energy: 2.248 local terms energy: -309.593562 where: bonds (distance) C4'-P energy: -66.088 bonds (distance) P-C4' energy: -59.505 flat angles C4'-P-C4' energy: -63.888 flat angles P-C4'-P energy: -50.148 tors. eta vs tors. theta energy: -69.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -894.971432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.971432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.971432 (E_RNA) where: Base-Base interactions energy: -615.930 where: short stacking energy: -277.470 Base-Backbone interact. energy: 1.133 local terms energy: -280.174222 where: bonds (distance) C4'-P energy: -49.630 bonds (distance) P-C4' energy: -54.729 flat angles C4'-P-C4' energy: -64.542 flat angles P-C4'-P energy: -46.174 tors. eta vs tors. theta energy: -65.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -862.201111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.201111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.201111 (E_RNA) where: Base-Base interactions energy: -593.200 where: short stacking energy: -253.705 Base-Backbone interact. energy: -1.025 local terms energy: -267.975528 where: bonds (distance) C4'-P energy: -52.721 bonds (distance) P-C4' energy: -57.311 flat angles C4'-P-C4' energy: -69.003 flat angles P-C4'-P energy: -35.320 tors. eta vs tors. theta energy: -53.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -741.579417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.579417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.579417 (E_RNA) where: Base-Base interactions energy: -509.783 where: short stacking energy: -238.396 Base-Backbone interact. energy: -2.127 local terms energy: -229.668952 where: bonds (distance) C4'-P energy: -48.265 bonds (distance) P-C4' energy: -49.605 flat angles C4'-P-C4' energy: -54.284 flat angles P-C4'-P energy: -26.285 tors. eta vs tors. theta energy: -51.229 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: 157 Temperature: 1.300000 Total energy: -578.069271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.069271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.069271 (E_RNA) where: Base-Base interactions energy: -360.681 where: short stacking energy: -178.859 Base-Backbone interact. energy: 0.737 local terms energy: -218.125288 where: bonds (distance) C4'-P energy: -50.094 bonds (distance) P-C4' energy: -61.088 flat angles C4'-P-C4' energy: -53.747 flat angles P-C4'-P energy: -29.038 tors. eta vs tors. theta energy: -24.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -465.680863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.680863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.680863 (E_RNA) where: Base-Base interactions energy: -256.263 where: short stacking energy: -136.841 Base-Backbone interact. energy: 3.622 local terms energy: -213.040058 where: bonds (distance) C4'-P energy: -52.179 bonds (distance) P-C4' energy: -53.675 flat angles C4'-P-C4' energy: -53.941 flat angles P-C4'-P energy: -37.705 tors. eta vs tors. theta energy: -15.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1180.374281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.374281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.374281 (E_RNA) where: Base-Base interactions energy: -835.597 where: short stacking energy: -361.080 Base-Backbone interact. energy: -1.961 local terms energy: -342.816075 where: bonds (distance) C4'-P energy: -54.253 bonds (distance) P-C4' energy: -61.473 flat angles C4'-P-C4' energy: -75.788 flat angles P-C4'-P energy: -54.932 tors. eta vs tors. theta energy: -96.370 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: 4 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1182.973072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.973072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.973072 (E_RNA) where: Base-Base interactions energy: -821.911 where: short stacking energy: -372.026 Base-Backbone interact. energy: -0.005 local terms energy: -361.057227 where: bonds (distance) C4'-P energy: -61.198 bonds (distance) P-C4' energy: -63.088 flat angles C4'-P-C4' energy: -72.125 flat angles P-C4'-P energy: -51.844 tors. eta vs tors. theta energy: -112.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1094.505141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.505141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.505141 (E_RNA) where: Base-Base interactions energy: -778.794 where: short stacking energy: -318.377 Base-Backbone interact. energy: -3.372 local terms energy: -312.339912 where: bonds (distance) C4'-P energy: -48.253 bonds (distance) P-C4' energy: -58.666 flat angles C4'-P-C4' energy: -58.882 flat angles P-C4'-P energy: -55.292 tors. eta vs tors. theta energy: -91.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1020.666951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.666951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.666951 (E_RNA) where: Base-Base interactions energy: -729.366 where: short stacking energy: -305.263 Base-Backbone interact. energy: -1.820 local terms energy: -289.481154 where: bonds (distance) C4'-P energy: -57.865 bonds (distance) P-C4' energy: -61.172 flat angles C4'-P-C4' energy: -59.499 flat angles P-C4'-P energy: -39.242 tors. eta vs tors. theta energy: -71.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -932.486721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.486721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.486721 (E_RNA) where: Base-Base interactions energy: -642.323 where: short stacking energy: -266.852 Base-Backbone interact. energy: -0.900 local terms energy: -289.263507 where: bonds (distance) C4'-P energy: -63.907 bonds (distance) P-C4' energy: -61.484 flat angles C4'-P-C4' energy: -56.110 flat angles P-C4'-P energy: -37.814 tors. eta vs tors. theta energy: -69.948 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: 7 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -862.434600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.434600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.434600 (E_RNA) where: Base-Base interactions energy: -577.898 where: short stacking energy: -246.776 Base-Backbone interact. energy: -1.887 local terms energy: -282.649850 where: bonds (distance) C4'-P energy: -59.282 bonds (distance) P-C4' energy: -66.078 flat angles C4'-P-C4' energy: -53.189 flat angles P-C4'-P energy: -49.001 tors. eta vs tors. theta energy: -55.099 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: 8 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -824.007516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.007516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.007516 (E_RNA) where: Base-Base interactions energy: -548.672 where: short stacking energy: -253.291 Base-Backbone interact. energy: 0.560 local terms energy: -275.895626 where: bonds (distance) C4'-P energy: -57.889 bonds (distance) P-C4' energy: -60.775 flat angles C4'-P-C4' energy: -65.516 flat angles P-C4'-P energy: -42.324 tors. eta vs tors. theta energy: -49.391 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: 9 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -724.204552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.204552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.204552 (E_RNA) where: Base-Base interactions energy: -465.907 where: short stacking energy: -214.031 Base-Backbone interact. energy: -1.902 local terms energy: -256.395846 where: bonds (distance) C4'-P energy: -50.489 bonds (distance) P-C4' energy: -58.840 flat angles C4'-P-C4' energy: -63.416 flat angles P-C4'-P energy: -39.455 tors. eta vs tors. theta energy: -44.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -573.959204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.959204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.959204 (E_RNA) where: Base-Base interactions energy: -335.440 where: short stacking energy: -161.032 Base-Backbone interact. energy: -0.830 local terms energy: -237.689800 where: bonds (distance) C4'-P energy: -57.644 bonds (distance) P-C4' energy: -61.465 flat angles C4'-P-C4' energy: -50.529 flat angles P-C4'-P energy: -33.094 tors. eta vs tors. theta energy: -34.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -453.962636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.962636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.962636 (E_RNA) where: Base-Base interactions energy: -254.477 where: short stacking energy: -141.929 Base-Backbone interact. energy: -1.206 local terms energy: -198.279630 where: bonds (distance) C4'-P energy: -51.806 bonds (distance) P-C4' energy: -49.247 flat angles C4'-P-C4' energy: -46.587 flat angles P-C4'-P energy: -36.032 tors. eta vs tors. theta energy: -14.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1198.578264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.578264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.578264 (E_RNA) where: Base-Base interactions energy: -850.088 where: short stacking energy: -366.411 Base-Backbone interact. energy: -1.275 local terms energy: -347.215079 where: bonds (distance) C4'-P energy: -56.190 bonds (distance) P-C4' energy: -68.387 flat angles C4'-P-C4' energy: -65.954 flat angles P-C4'-P energy: -54.156 tors. eta vs tors. theta energy: -102.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1184.996570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.996570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.996570 (E_RNA) where: Base-Base interactions energy: -819.870 where: short stacking energy: -365.345 Base-Backbone interact. energy: 0.125 local terms energy: -365.250601 where: bonds (distance) C4'-P energy: -65.349 bonds (distance) P-C4' energy: -67.144 flat angles C4'-P-C4' energy: -67.773 flat angles P-C4'-P energy: -54.217 tors. eta vs tors. theta energy: -110.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1092.182814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.182814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.182814 (E_RNA) where: Base-Base interactions energy: -768.514 where: short stacking energy: -334.030 Base-Backbone interact. energy: -0.261 local terms energy: -323.407293 where: bonds (distance) C4'-P energy: -50.529 bonds (distance) P-C4' energy: -68.674 flat angles C4'-P-C4' energy: -70.253 flat angles P-C4'-P energy: -44.359 tors. eta vs tors. theta energy: -89.593 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: 5 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1025.569564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.569564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.569564 (E_RNA) where: Base-Base interactions energy: -712.463 where: short stacking energy: -336.829 Base-Backbone interact. energy: 0.236 local terms energy: -313.342948 where: bonds (distance) C4'-P energy: -51.470 bonds (distance) P-C4' energy: -56.040 flat angles C4'-P-C4' energy: -67.827 flat angles P-C4'-P energy: -46.160 tors. eta vs tors. theta energy: -91.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1015.290892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.290892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.290892 (E_RNA) where: Base-Base interactions energy: -703.603 where: short stacking energy: -302.971 Base-Backbone interact. energy: -0.315 local terms energy: -311.373043 where: bonds (distance) C4'-P energy: -64.397 bonds (distance) P-C4' energy: -59.902 flat angles C4'-P-C4' energy: -69.023 flat angles P-C4'-P energy: -44.069 tors. eta vs tors. theta energy: -73.982 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: 8 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -853.894715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.894715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.894715 (E_RNA) where: Base-Base interactions energy: -587.540 where: short stacking energy: -253.924 Base-Backbone interact. energy: -1.899 local terms energy: -264.456344 where: bonds (distance) C4'-P energy: -46.920 bonds (distance) P-C4' energy: -57.135 flat angles C4'-P-C4' energy: -59.154 flat angles P-C4'-P energy: -42.905 tors. eta vs tors. theta energy: -58.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -808.080897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.080897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.080897 (E_RNA) where: Base-Base interactions energy: -552.673 where: short stacking energy: -221.780 Base-Backbone interact. energy: 2.720 local terms energy: -258.127394 where: bonds (distance) C4'-P energy: -47.958 bonds (distance) P-C4' energy: -56.926 flat angles C4'-P-C4' energy: -55.113 flat angles P-C4'-P energy: -35.451 tors. eta vs tors. theta energy: -62.680 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: 8, replica: 9 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -721.210229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.210229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.210229 (E_RNA) where: Base-Base interactions energy: -477.649 where: short stacking energy: -223.244 Base-Backbone interact. energy: -2.247 local terms energy: -241.314008 where: bonds (distance) C4'-P energy: -54.107 bonds (distance) P-C4' energy: -53.384 flat angles C4'-P-C4' energy: -59.383 flat angles P-C4'-P energy: -36.522 tors. eta vs tors. theta energy: -37.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -607.002235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.002235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.002235 (E_RNA) where: Base-Base interactions energy: -371.200 where: short stacking energy: -151.613 Base-Backbone interact. energy: -3.092 local terms energy: -232.710381 where: bonds (distance) C4'-P energy: -50.410 bonds (distance) P-C4' energy: -58.330 flat angles C4'-P-C4' energy: -66.575 flat angles P-C4'-P energy: -35.752 tors. eta vs tors. theta energy: -21.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -461.815353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.815353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.815353 (E_RNA) where: Base-Base interactions energy: -273.031 where: short stacking energy: -124.223 Base-Backbone interact. energy: 1.920 local terms energy: -190.703705 where: bonds (distance) C4'-P energy: -51.267 bonds (distance) P-C4' energy: -63.000 flat angles C4'-P-C4' energy: -48.062 flat angles P-C4'-P energy: -31.017 tors. eta vs tors. theta energy: 2.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1187.262402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.262402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.262402 (E_RNA) where: Base-Base interactions energy: -829.209 where: short stacking energy: -353.336 Base-Backbone interact. energy: -1.634 local terms energy: -356.418486 where: bonds (distance) C4'-P energy: -59.527 bonds (distance) P-C4' energy: -66.135 flat angles C4'-P-C4' energy: -76.579 flat angles P-C4'-P energy: -55.132 tors. eta vs tors. theta energy: -99.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1178.462774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.462774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.462774 (E_RNA) where: Base-Base interactions energy: -829.697 where: short stacking energy: -382.222 Base-Backbone interact. energy: -0.518 local terms energy: -348.247333 where: bonds (distance) C4'-P energy: -51.110 bonds (distance) P-C4' energy: -66.642 flat angles C4'-P-C4' energy: -73.364 flat angles P-C4'-P energy: -46.549 tors. eta vs tors. theta energy: -110.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1092.320547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.320547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.320547 (E_RNA) where: Base-Base interactions energy: -778.597 where: short stacking energy: -314.432 Base-Backbone interact. energy: 0.964 local terms energy: -314.687207 where: bonds (distance) C4'-P energy: -51.865 bonds (distance) P-C4' energy: -59.955 flat angles C4'-P-C4' energy: -66.835 flat angles P-C4'-P energy: -53.844 tors. eta vs tors. theta energy: -82.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1038.182306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.182306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.182306 (E_RNA) where: Base-Base interactions energy: -721.643 where: short stacking energy: -311.723 Base-Backbone interact. energy: -3.109 local terms energy: -313.429776 where: bonds (distance) C4'-P energy: -60.119 bonds (distance) P-C4' energy: -61.789 flat angles C4'-P-C4' energy: -65.159 flat angles P-C4'-P energy: -49.424 tors. eta vs tors. theta energy: -76.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -992.042998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.042998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.042998 (E_RNA) where: Base-Base interactions energy: -698.582 where: short stacking energy: -285.989 Base-Backbone interact. energy: 0.706 local terms energy: -294.166583 where: bonds (distance) C4'-P energy: -54.893 bonds (distance) P-C4' energy: -55.688 flat angles C4'-P-C4' energy: -69.514 flat angles P-C4'-P energy: -46.077 tors. eta vs tors. theta energy: -67.996 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: 8 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -875.685992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.685992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.685992 (E_RNA) where: Base-Base interactions energy: -615.512 where: short stacking energy: -256.430 Base-Backbone interact. energy: 2.325 local terms energy: -262.498923 where: bonds (distance) C4'-P energy: -45.815 bonds (distance) P-C4' energy: -56.779 flat angles C4'-P-C4' energy: -65.256 flat angles P-C4'-P energy: -40.244 tors. eta vs tors. theta energy: -54.405 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: 7 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -804.328946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.328946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.328946 (E_RNA) where: Base-Base interactions energy: -565.049 where: short stacking energy: -239.226 Base-Backbone interact. energy: -0.428 local terms energy: -238.852011 where: bonds (distance) C4'-P energy: -52.176 bonds (distance) P-C4' energy: -55.841 flat angles C4'-P-C4' energy: -47.265 flat angles P-C4'-P energy: -36.215 tors. eta vs tors. theta energy: -47.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -712.671488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.671488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.671488 (E_RNA) where: Base-Base interactions energy: -472.285 where: short stacking energy: -197.709 Base-Backbone interact. energy: 1.806 local terms energy: -242.192642 where: bonds (distance) C4'-P energy: -53.737 bonds (distance) P-C4' energy: -49.939 flat angles C4'-P-C4' energy: -53.946 flat angles P-C4'-P energy: -35.629 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: 9, replica: 3 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -611.360491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.360491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.360491 (E_RNA) where: Base-Base interactions energy: -410.612 where: short stacking energy: -189.733 Base-Backbone interact. energy: 0.590 local terms energy: -201.338898 where: bonds (distance) C4'-P energy: -53.584 bonds (distance) P-C4' energy: -45.098 flat angles C4'-P-C4' energy: -51.131 flat angles P-C4'-P energy: -25.467 tors. eta vs tors. theta energy: -26.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -512.341362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.341362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.341362 (E_RNA) where: Base-Base interactions energy: -315.794 where: short stacking energy: -139.975 Base-Backbone interact. energy: -1.018 local terms energy: -195.529540 where: bonds (distance) C4'-P energy: -43.951 bonds (distance) P-C4' energy: -61.919 flat angles C4'-P-C4' energy: -54.770 flat angles P-C4'-P energy: -22.527 tors. eta vs tors. theta energy: -12.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1183.352930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.352930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.352930 (E_RNA) where: Base-Base interactions energy: -828.479 where: short stacking energy: -341.404 Base-Backbone interact. energy: -3.616 local terms energy: -351.258295 where: bonds (distance) C4'-P energy: -65.360 bonds (distance) P-C4' energy: -70.139 flat angles C4'-P-C4' energy: -76.368 flat angles P-C4'-P energy: -45.380 tors. eta vs tors. theta energy: -94.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1188.211978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.211978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.211978 (E_RNA) where: Base-Base interactions energy: -829.088 where: short stacking energy: -372.992 Base-Backbone interact. energy: -1.118 local terms energy: -358.005960 where: bonds (distance) C4'-P energy: -65.557 bonds (distance) P-C4' energy: -73.196 flat angles C4'-P-C4' energy: -70.166 flat angles P-C4'-P energy: -44.353 tors. eta vs tors. theta energy: -104.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1135.368177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.368177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.368177 (E_RNA) where: Base-Base interactions energy: -791.576 where: short stacking energy: -326.292 Base-Backbone interact. energy: -3.000 local terms energy: -340.792674 where: bonds (distance) C4'-P energy: -61.159 bonds (distance) P-C4' energy: -64.406 flat angles C4'-P-C4' energy: -75.889 flat angles P-C4'-P energy: -51.318 tors. eta vs tors. theta energy: -88.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1052.687621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.687621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.687621 (E_RNA) where: Base-Base interactions energy: -734.809 where: short stacking energy: -330.270 Base-Backbone interact. energy: -1.073 local terms energy: -316.805758 where: bonds (distance) C4'-P energy: -54.711 bonds (distance) P-C4' energy: -59.739 flat angles C4'-P-C4' energy: -65.618 flat angles P-C4'-P energy: -49.020 tors. eta vs tors. theta energy: -87.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -982.124622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.124622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.124622 (E_RNA) where: Base-Base interactions energy: -689.434 where: short stacking energy: -283.215 Base-Backbone interact. energy: 2.153 local terms energy: -294.844288 where: bonds (distance) C4'-P energy: -68.146 bonds (distance) P-C4' energy: -54.426 flat angles C4'-P-C4' energy: -67.470 flat angles P-C4'-P energy: -41.744 tors. eta vs tors. theta energy: -63.058 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: 8 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -832.642822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.642822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.642822 (E_RNA) where: Base-Base interactions energy: -558.207 where: short stacking energy: -240.347 Base-Backbone interact. energy: -0.575 local terms energy: -273.860657 where: bonds (distance) C4'-P energy: -53.491 bonds (distance) P-C4' energy: -64.195 flat angles C4'-P-C4' energy: -66.815 flat angles P-C4'-P energy: -31.343 tors. eta vs tors. theta energy: -58.017 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: 7 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -841.750383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.750383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.750383 (E_RNA) where: Base-Base interactions energy: -561.783 where: short stacking energy: -266.735 Base-Backbone interact. energy: 0.231 local terms energy: -280.197951 where: bonds (distance) C4'-P energy: -48.994 bonds (distance) P-C4' energy: -59.724 flat angles C4'-P-C4' energy: -64.532 flat angles P-C4'-P energy: -34.546 tors. eta vs tors. theta energy: -72.401 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: 9 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -700.048841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.048841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.048841 (E_RNA) where: Base-Base interactions energy: -460.290 where: short stacking energy: -207.844 Base-Backbone interact. energy: 2.316 local terms energy: -242.075432 where: bonds (distance) C4'-P energy: -52.996 bonds (distance) P-C4' energy: -51.081 flat angles C4'-P-C4' energy: -51.181 flat angles P-C4'-P energy: -40.588 tors. eta vs tors. theta energy: -46.229 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: 161 Temperature: 1.300000 Total energy: -613.343628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.343628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.343628 (E_RNA) where: Base-Base interactions energy: -382.669 where: short stacking energy: -172.722 Base-Backbone interact. energy: 0.682 local terms energy: -231.356735 where: bonds (distance) C4'-P energy: -45.151 bonds (distance) P-C4' energy: -63.960 flat angles C4'-P-C4' energy: -59.671 flat angles P-C4'-P energy: -33.191 tors. eta vs tors. theta energy: -29.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -480.014887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.014887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.014887 (E_RNA) where: Base-Base interactions energy: -285.267 where: short stacking energy: -150.756 Base-Backbone interact. energy: -1.046 local terms energy: -193.701401 where: bonds (distance) C4'-P energy: -46.399 bonds (distance) P-C4' energy: -63.815 flat angles C4'-P-C4' energy: -40.466 flat angles P-C4'-P energy: -24.936 tors. eta vs tors. theta energy: -18.085 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: 4 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1186.557097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.557097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.557097 (E_RNA) where: Base-Base interactions energy: -832.589 where: short stacking energy: -385.469 Base-Backbone interact. energy: -0.386 local terms energy: -353.582725 where: bonds (distance) C4'-P energy: -60.771 bonds (distance) P-C4' energy: -65.675 flat angles C4'-P-C4' energy: -71.261 flat angles P-C4'-P energy: -47.454 tors. eta vs tors. theta energy: -108.422 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: 10 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1168.745836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.745836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.745836 (E_RNA) where: Base-Base interactions energy: -828.544 where: short stacking energy: -350.387 Base-Backbone interact. energy: -0.950 local terms energy: -339.251731 where: bonds (distance) C4'-P energy: -62.033 bonds (distance) P-C4' energy: -58.504 flat angles C4'-P-C4' energy: -72.342 flat angles P-C4'-P energy: -51.389 tors. eta vs tors. theta energy: -94.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1107.670130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.670130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.670130 (E_RNA) where: Base-Base interactions energy: -776.805 where: short stacking energy: -322.232 Base-Backbone interact. energy: -3.899 local terms energy: -326.966565 where: bonds (distance) C4'-P energy: -56.440 bonds (distance) P-C4' energy: -60.247 flat angles C4'-P-C4' energy: -72.156 flat angles P-C4'-P energy: -48.731 tors. eta vs tors. theta energy: -89.393 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: 5 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1025.647526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.647526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.647526 (E_RNA) where: Base-Base interactions energy: -719.164 where: short stacking energy: -294.506 Base-Backbone interact. energy: -0.643 local terms energy: -305.840448 where: bonds (distance) C4'-P energy: -55.513 bonds (distance) P-C4' energy: -66.151 flat angles C4'-P-C4' energy: -63.762 flat angles P-C4'-P energy: -44.482 tors. eta vs tors. theta energy: -75.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -959.896788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.896788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.896788 (E_RNA) where: Base-Base interactions energy: -669.066 where: short stacking energy: -259.236 Base-Backbone interact. energy: -5.481 local terms energy: -285.349754 where: bonds (distance) C4'-P energy: -54.264 bonds (distance) P-C4' energy: -66.736 flat angles C4'-P-C4' energy: -70.591 flat angles P-C4'-P energy: -30.332 tors. eta vs tors. theta energy: -63.427 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: 8 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -851.977722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.977722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.977722 (E_RNA) where: Base-Base interactions energy: -585.064 where: short stacking energy: -273.524 Base-Backbone interact. energy: -0.118 local terms energy: -266.794993 where: bonds (distance) C4'-P energy: -51.206 bonds (distance) P-C4' energy: -58.178 flat angles C4'-P-C4' energy: -65.214 flat angles P-C4'-P energy: -28.525 tors. eta vs tors. theta energy: -63.673 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: 7 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -900.593362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.593362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.593362 (E_RNA) where: Base-Base interactions energy: -607.790 where: short stacking energy: -272.716 Base-Backbone interact. energy: -0.607 local terms energy: -292.196463 where: bonds (distance) C4'-P energy: -61.161 bonds (distance) P-C4' energy: -55.001 flat angles C4'-P-C4' energy: -66.278 flat angles P-C4'-P energy: -39.101 tors. eta vs tors. theta energy: -70.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -659.514609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.514609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.514609 (E_RNA) where: Base-Base interactions energy: -406.155 where: short stacking energy: -193.661 Base-Backbone interact. energy: -2.286 local terms energy: -251.073434 where: bonds (distance) C4'-P energy: -58.688 bonds (distance) P-C4' energy: -47.297 flat angles C4'-P-C4' energy: -56.059 flat angles P-C4'-P energy: -41.102 tors. eta vs tors. theta energy: -47.928 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: 162 Temperature: 1.300000 Total energy: -615.918670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.918670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.918670 (E_RNA) where: Base-Base interactions energy: -391.446 where: short stacking energy: -171.349 Base-Backbone interact. energy: 0.778 local terms energy: -225.251419 where: bonds (distance) C4'-P energy: -52.709 bonds (distance) P-C4' energy: -54.073 flat angles C4'-P-C4' energy: -48.493 flat angles P-C4'-P energy: -39.115 tors. eta vs tors. theta energy: -30.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -467.958754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.958754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.958754 (E_RNA) where: Base-Base interactions energy: -265.430 where: short stacking energy: -133.456 Base-Backbone interact. energy: 0.666 local terms energy: -203.194753 where: bonds (distance) C4'-P energy: -52.522 bonds (distance) P-C4' energy: -54.544 flat angles C4'-P-C4' energy: -48.511 flat angles P-C4'-P energy: -29.064 tors. eta vs tors. theta energy: -18.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1190.234241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.234241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.234241 (E_RNA) where: Base-Base interactions energy: -832.350 where: short stacking energy: -358.852 Base-Backbone interact. energy: -1.110 local terms energy: -356.773629 where: bonds (distance) C4'-P energy: -59.742 bonds (distance) P-C4' energy: -68.128 flat angles C4'-P-C4' energy: -74.435 flat angles P-C4'-P energy: -51.539 tors. eta vs tors. theta energy: -102.930 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: 10 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1170.606284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.606284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.606284 (E_RNA) where: Base-Base interactions energy: -829.815 where: short stacking energy: -350.401 Base-Backbone interact. energy: -1.464 local terms energy: -339.326986 where: bonds (distance) C4'-P energy: -61.832 bonds (distance) P-C4' energy: -68.192 flat angles C4'-P-C4' energy: -62.958 flat angles P-C4'-P energy: -55.132 tors. eta vs tors. theta energy: -91.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1109.457135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.457135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.457135 (E_RNA) where: Base-Base interactions energy: -773.999 where: short stacking energy: -332.665 Base-Backbone interact. energy: -0.845 local terms energy: -334.613494 where: bonds (distance) C4'-P energy: -57.755 bonds (distance) P-C4' energy: -66.992 flat angles C4'-P-C4' energy: -71.141 flat angles P-C4'-P energy: -47.884 tors. eta vs tors. theta energy: -90.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -983.275005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.275005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.275005 (E_RNA) where: Base-Base interactions energy: -678.222 where: short stacking energy: -275.975 Base-Backbone interact. energy: 0.023 local terms energy: -305.075183 where: bonds (distance) C4'-P energy: -60.568 bonds (distance) P-C4' energy: -58.044 flat angles C4'-P-C4' energy: -69.215 flat angles P-C4'-P energy: -50.650 tors. eta vs tors. theta energy: -66.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -981.903824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.903824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.903824 (E_RNA) where: Base-Base interactions energy: -710.724 where: short stacking energy: -292.795 Base-Backbone interact. energy: 8.467 local terms energy: -279.646959 where: bonds (distance) C4'-P energy: -42.460 bonds (distance) P-C4' energy: -67.424 flat angles C4'-P-C4' energy: -63.460 flat angles P-C4'-P energy: -39.649 tors. eta vs tors. theta energy: -66.654 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: 7 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -912.448517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.448517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.448517 (E_RNA) where: Base-Base interactions energy: -637.726 where: short stacking energy: -275.522 Base-Backbone interact. energy: -1.426 local terms energy: -273.296420 where: bonds (distance) C4'-P energy: -57.532 bonds (distance) P-C4' energy: -56.130 flat angles C4'-P-C4' energy: -66.521 flat angles P-C4'-P energy: -30.819 tors. eta vs tors. theta energy: -62.294 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: 8 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -834.208219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.208219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.208219 (E_RNA) where: Base-Base interactions energy: -581.918 where: short stacking energy: -244.200 Base-Backbone interact. energy: 3.382 local terms energy: -255.672174 where: bonds (distance) C4'-P energy: -54.692 bonds (distance) P-C4' energy: -44.325 flat angles C4'-P-C4' energy: -60.202 flat angles P-C4'-P energy: -37.047 tors. eta vs tors. theta energy: -59.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -714.369478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.369478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.369478 (E_RNA) where: Base-Base interactions energy: -468.802 where: short stacking energy: -220.565 Base-Backbone interact. energy: -1.988 local terms energy: -243.579862 where: bonds (distance) C4'-P energy: -52.413 bonds (distance) P-C4' energy: -55.545 flat angles C4'-P-C4' energy: -60.819 flat angles P-C4'-P energy: -31.162 tors. eta vs tors. theta energy: -43.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -588.792690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.792690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.792690 (E_RNA) where: Base-Base interactions energy: -372.539 where: short stacking energy: -182.777 Base-Backbone interact. energy: -0.327 local terms energy: -215.926319 where: bonds (distance) C4'-P energy: -43.430 bonds (distance) P-C4' energy: -50.179 flat angles C4'-P-C4' energy: -51.206 flat angles P-C4'-P energy: -23.025 tors. eta vs tors. theta energy: -48.087 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: 2 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -453.384531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.384531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.384531 (E_RNA) where: Base-Base interactions energy: -250.879 where: short stacking energy: -127.255 Base-Backbone interact. energy: 1.763 local terms energy: -204.268715 where: bonds (distance) C4'-P energy: -52.183 bonds (distance) P-C4' energy: -53.733 flat angles C4'-P-C4' energy: -54.004 flat angles P-C4'-P energy: -31.260 tors. eta vs tors. theta energy: -13.088 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: 10 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1196.417313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.417313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.417313 (E_RNA) where: Base-Base interactions energy: -855.583 where: short stacking energy: -367.058 Base-Backbone interact. energy: -0.768 local terms energy: -340.066444 where: bonds (distance) C4'-P energy: -58.210 bonds (distance) P-C4' energy: -61.546 flat angles C4'-P-C4' energy: -77.682 flat angles P-C4'-P energy: -47.850 tors. eta vs tors. theta energy: -94.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1175.198926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.198926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.198926 (E_RNA) where: Base-Base interactions energy: -823.051 where: short stacking energy: -363.214 Base-Backbone interact. energy: -1.207 local terms energy: -350.940876 where: bonds (distance) C4'-P energy: -65.726 bonds (distance) P-C4' energy: -61.981 flat angles C4'-P-C4' energy: -71.166 flat angles P-C4'-P energy: -53.736 tors. eta vs tors. theta energy: -98.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1087.705126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.705126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.705126 (E_RNA) where: Base-Base interactions energy: -752.858 where: short stacking energy: -323.709 Base-Backbone interact. energy: -0.572 local terms energy: -334.275531 where: bonds (distance) C4'-P energy: -61.628 bonds (distance) P-C4' energy: -60.018 flat angles C4'-P-C4' energy: -81.903 flat angles P-C4'-P energy: -44.179 tors. eta vs tors. theta energy: -86.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1030.484203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.484203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.484203 (E_RNA) where: Base-Base interactions energy: -725.307 where: short stacking energy: -278.900 Base-Backbone interact. energy: 0.397 local terms energy: -305.573938 where: bonds (distance) C4'-P energy: -55.713 bonds (distance) P-C4' energy: -61.246 flat angles C4'-P-C4' energy: -74.659 flat angles P-C4'-P energy: -44.612 tors. eta vs tors. theta energy: -69.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -999.729689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.729689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.729689 (E_RNA) where: Base-Base interactions energy: -705.477 where: short stacking energy: -302.581 Base-Backbone interact. energy: 2.343 local terms energy: -296.595841 where: bonds (distance) C4'-P energy: -60.637 bonds (distance) P-C4' energy: -62.031 flat angles C4'-P-C4' energy: -58.785 flat angles P-C4'-P energy: -38.999 tors. eta vs tors. theta energy: -76.143 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: 7 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -903.411447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.411447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.411447 (E_RNA) where: Base-Base interactions energy: -624.412 where: short stacking energy: -268.492 Base-Backbone interact. energy: -1.328 local terms energy: -277.671563 where: bonds (distance) C4'-P energy: -60.752 bonds (distance) P-C4' energy: -52.205 flat angles C4'-P-C4' energy: -64.414 flat angles P-C4'-P energy: -43.079 tors. eta vs tors. theta energy: -57.221 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: 7, replica: 8 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -848.627909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.627909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.627909 (E_RNA) where: Base-Base interactions energy: -582.933 where: short stacking energy: -252.390 Base-Backbone interact. energy: 1.304 local terms energy: -266.998827 where: bonds (distance) C4'-P energy: -48.743 bonds (distance) P-C4' energy: -58.994 flat angles C4'-P-C4' energy: -58.422 flat angles P-C4'-P energy: -38.690 tors. eta vs tors. theta energy: -62.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -689.549331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.549331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.549331 (E_RNA) where: Base-Base interactions energy: -450.486 where: short stacking energy: -209.032 Base-Backbone interact. energy: 0.499 local terms energy: -239.561664 where: bonds (distance) C4'-P energy: -54.676 bonds (distance) P-C4' energy: -49.630 flat angles C4'-P-C4' energy: -61.843 flat angles P-C4'-P energy: -34.846 tors. eta vs tors. theta energy: -38.567 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: 9, replica: 3 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -602.120288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.120288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.120288 (E_RNA) where: Base-Base interactions energy: -386.702 where: short stacking energy: -194.698 Base-Backbone interact. energy: -1.041 local terms energy: -214.376770 where: bonds (distance) C4'-P energy: -42.041 bonds (distance) P-C4' energy: -46.136 flat angles C4'-P-C4' energy: -49.106 flat angles P-C4'-P energy: -39.260 tors. eta vs tors. theta energy: -37.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -416.970699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.970699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.970699 (E_RNA) where: Base-Base interactions energy: -223.666 where: short stacking energy: -124.042 Base-Backbone interact. energy: 3.968 local terms energy: -197.272870 where: bonds (distance) C4'-P energy: -51.073 bonds (distance) P-C4' energy: -63.627 flat angles C4'-P-C4' energy: -45.834 flat angles P-C4'-P energy: -31.290 tors. eta vs tors. theta energy: -5.449 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: 10 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1185.067643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.067643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.067643 (E_RNA) where: Base-Base interactions energy: -837.375 where: short stacking energy: -358.471 Base-Backbone interact. energy: -1.575 local terms energy: -346.117366 where: bonds (distance) C4'-P energy: -60.785 bonds (distance) P-C4' energy: -67.093 flat angles C4'-P-C4' energy: -70.275 flat angles P-C4'-P energy: -48.251 tors. eta vs tors. theta energy: -99.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1148.899097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.899097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.899097 (E_RNA) where: Base-Base interactions energy: -808.371 where: short stacking energy: -366.559 Base-Backbone interact. energy: -0.766 local terms energy: -339.763041 where: bonds (distance) C4'-P energy: -55.133 bonds (distance) P-C4' energy: -62.165 flat angles C4'-P-C4' energy: -72.808 flat angles P-C4'-P energy: -47.282 tors. eta vs tors. theta energy: -102.376 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: 6 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1106.750330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.750330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.750330 (E_RNA) where: Base-Base interactions energy: -784.898 where: short stacking energy: -331.527 Base-Backbone interact. energy: -1.844 local terms energy: -320.008706 where: bonds (distance) C4'-P energy: -57.404 bonds (distance) P-C4' energy: -66.863 flat angles C4'-P-C4' energy: -71.552 flat angles P-C4'-P energy: -36.194 tors. eta vs tors. theta energy: -87.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1034.211025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.211025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.211025 (E_RNA) where: Base-Base interactions energy: -722.758 where: short stacking energy: -289.920 Base-Backbone interact. energy: -2.033 local terms energy: -309.420193 where: bonds (distance) C4'-P energy: -66.088 bonds (distance) P-C4' energy: -70.228 flat angles C4'-P-C4' energy: -53.661 flat angles P-C4'-P energy: -47.057 tors. eta vs tors. theta energy: -72.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1021.949804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.949804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.949804 (E_RNA) where: Base-Base interactions energy: -707.240 where: short stacking energy: -307.771 Base-Backbone interact. energy: -0.178 local terms energy: -314.531415 where: bonds (distance) C4'-P energy: -53.658 bonds (distance) P-C4' energy: -67.186 flat angles C4'-P-C4' energy: -68.020 flat angles P-C4'-P energy: -42.684 tors. eta vs tors. theta energy: -82.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -884.396370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.396370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.396370 (E_RNA) where: Base-Base interactions energy: -623.667 where: short stacking energy: -274.388 Base-Backbone interact. energy: -1.149 local terms energy: -259.581011 where: bonds (distance) C4'-P energy: -43.311 bonds (distance) P-C4' energy: -56.015 flat angles C4'-P-C4' energy: -62.201 flat angles P-C4'-P energy: -37.035 tors. eta vs tors. theta energy: -61.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -837.291311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.291311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.291311 (E_RNA) where: Base-Base interactions energy: -580.117 where: short stacking energy: -260.222 Base-Backbone interact. energy: -1.648 local terms energy: -255.526595 where: bonds (distance) C4'-P energy: -51.372 bonds (distance) P-C4' energy: -53.241 flat angles C4'-P-C4' energy: -58.695 flat angles P-C4'-P energy: -30.661 tors. eta vs tors. theta energy: -61.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -715.655334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.655334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.655334 (E_RNA) where: Base-Base interactions energy: -462.893 where: short stacking energy: -202.739 Base-Backbone interact. energy: -0.591 local terms energy: -252.171952 where: bonds (distance) C4'-P energy: -49.669 bonds (distance) P-C4' energy: -61.436 flat angles C4'-P-C4' energy: -57.752 flat angles P-C4'-P energy: -38.302 tors. eta vs tors. theta energy: -45.013 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: 165 Temperature: 1.300000 Total energy: -539.947795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.947795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.947795 (E_RNA) where: Base-Base interactions energy: -349.397 where: short stacking energy: -175.369 Base-Backbone interact. energy: -1.187 local terms energy: -189.363058 where: bonds (distance) C4'-P energy: -41.663 bonds (distance) P-C4' energy: -45.991 flat angles C4'-P-C4' energy: -46.900 flat angles P-C4'-P energy: -29.283 tors. eta vs tors. theta energy: -25.526 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: 10, replica: 2 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -421.879339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.879339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.879339 (E_RNA) where: Base-Base interactions energy: -236.071 where: short stacking energy: -119.901 Base-Backbone interact. energy: 3.958 local terms energy: -189.765861 where: bonds (distance) C4'-P energy: -45.942 bonds (distance) P-C4' energy: -68.947 flat angles C4'-P-C4' energy: -49.331 flat angles P-C4'-P energy: -21.304 tors. eta vs tors. theta energy: -4.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1171.108799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.108799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.108799 (E_RNA) where: Base-Base interactions energy: -813.881 where: short stacking energy: -352.311 Base-Backbone interact. energy: -0.781 local terms energy: -356.446966 where: bonds (distance) C4'-P energy: -67.362 bonds (distance) P-C4' energy: -58.536 flat angles C4'-P-C4' energy: -68.480 flat angles P-C4'-P energy: -52.614 tors. eta vs tors. theta energy: -109.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1165.586944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.586944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.586944 (E_RNA) where: Base-Base interactions energy: -831.485 where: short stacking energy: -369.166 Base-Backbone interact. energy: -0.201 local terms energy: -333.900668 where: bonds (distance) C4'-P energy: -51.965 bonds (distance) P-C4' energy: -61.243 flat angles C4'-P-C4' energy: -71.481 flat angles P-C4'-P energy: -46.406 tors. eta vs tors. theta energy: -102.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1085.539580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.539580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.539580 (E_RNA) where: Base-Base interactions energy: -765.209 where: short stacking energy: -336.090 Base-Backbone interact. energy: -3.268 local terms energy: -317.062939 where: bonds (distance) C4'-P energy: -58.119 bonds (distance) P-C4' energy: -59.756 flat angles C4'-P-C4' energy: -63.041 flat angles P-C4'-P energy: -44.935 tors. eta vs tors. theta energy: -91.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -995.702615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.702615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.702615 (E_RNA) where: Base-Base interactions energy: -699.432 where: short stacking energy: -290.837 Base-Backbone interact. energy: 2.356 local terms energy: -298.626391 where: bonds (distance) C4'-P energy: -66.565 bonds (distance) P-C4' energy: -57.193 flat angles C4'-P-C4' energy: -69.185 flat angles P-C4'-P energy: -47.008 tors. eta vs tors. theta energy: -58.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1000.585822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.585822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.585822 (E_RNA) where: Base-Base interactions energy: -697.782 where: short stacking energy: -288.647 Base-Backbone interact. energy: -0.415 local terms energy: -302.388749 where: bonds (distance) C4'-P energy: -48.733 bonds (distance) P-C4' energy: -58.008 flat angles C4'-P-C4' energy: -66.546 flat angles P-C4'-P energy: -46.636 tors. eta vs tors. theta energy: -82.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -921.243229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.243229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.243229 (E_RNA) where: Base-Base interactions energy: -635.264 where: short stacking energy: -260.676 Base-Backbone interact. energy: 0.769 local terms energy: -286.748039 where: bonds (distance) C4'-P energy: -54.514 bonds (distance) P-C4' energy: -67.843 flat angles C4'-P-C4' energy: -62.803 flat angles P-C4'-P energy: -41.509 tors. eta vs tors. theta energy: -60.079 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: 166 Temperature: 1.200000 Total energy: -841.269165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.269165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.269165 (E_RNA) where: Base-Base interactions energy: -589.394 where: short stacking energy: -230.065 Base-Backbone interact. energy: -1.515 local terms energy: -250.360337 where: bonds (distance) C4'-P energy: -50.092 bonds (distance) P-C4' energy: -61.586 flat angles C4'-P-C4' energy: -54.003 flat angles P-C4'-P energy: -35.622 tors. eta vs tors. theta energy: -49.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -743.697465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.697465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.697465 (E_RNA) where: Base-Base interactions energy: -490.884 where: short stacking energy: -221.222 Base-Backbone interact. energy: -1.794 local terms energy: -251.018702 where: bonds (distance) C4'-P energy: -56.712 bonds (distance) P-C4' energy: -53.725 flat angles C4'-P-C4' energy: -59.500 flat angles P-C4'-P energy: -30.862 tors. eta vs tors. theta energy: -50.220 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: 166 Temperature: 1.300000 Total energy: -516.894944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.894944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.894944 (E_RNA) where: Base-Base interactions energy: -299.805 where: short stacking energy: -142.175 Base-Backbone interact. energy: 2.439 local terms energy: -219.528850 where: bonds (distance) C4'-P energy: -40.650 bonds (distance) P-C4' energy: -66.447 flat angles C4'-P-C4' energy: -61.040 flat angles P-C4'-P energy: -30.400 tors. eta vs tors. theta energy: -20.992 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: 2 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -378.307319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.307319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.307319 (E_RNA) where: Base-Base interactions energy: -167.419 where: short stacking energy: -108.675 Base-Backbone interact. energy: -0.766 local terms energy: -210.122894 where: bonds (distance) C4'-P energy: -58.223 bonds (distance) P-C4' energy: -65.606 flat angles C4'-P-C4' energy: -46.116 flat angles P-C4'-P energy: -27.259 tors. eta vs tors. theta energy: -12.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1164.496652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.496652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.496652 (E_RNA) where: Base-Base interactions energy: -814.871 where: short stacking energy: -360.500 Base-Backbone interact. energy: 0.446 local terms energy: -350.071964 where: bonds (distance) C4'-P energy: -67.863 bonds (distance) P-C4' energy: -65.111 flat angles C4'-P-C4' energy: -59.818 flat angles P-C4'-P energy: -54.758 tors. eta vs tors. theta energy: -102.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1160.993087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.993087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.993087 (E_RNA) where: Base-Base interactions energy: -818.033 where: short stacking energy: -358.341 Base-Backbone interact. energy: -1.397 local terms energy: -341.563033 where: bonds (distance) C4'-P energy: -60.782 bonds (distance) P-C4' energy: -65.225 flat angles C4'-P-C4' energy: -72.854 flat angles P-C4'-P energy: -45.787 tors. eta vs tors. theta energy: -96.915 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: 6 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1092.268190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.268190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.268190 (E_RNA) where: Base-Base interactions energy: -770.254 where: short stacking energy: -332.776 Base-Backbone interact. energy: -2.113 local terms energy: -319.901195 where: bonds (distance) C4'-P energy: -44.422 bonds (distance) P-C4' energy: -63.442 flat angles C4'-P-C4' energy: -73.983 flat angles P-C4'-P energy: -52.016 tors. eta vs tors. theta energy: -86.037 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: 1 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -996.497649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.497649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.497649 (E_RNA) where: Base-Base interactions energy: -700.548 where: short stacking energy: -290.380 Base-Backbone interact. energy: 0.136 local terms energy: -296.086051 where: bonds (distance) C4'-P energy: -53.437 bonds (distance) P-C4' energy: -65.203 flat angles C4'-P-C4' energy: -63.845 flat angles P-C4'-P energy: -43.254 tors. eta vs tors. theta energy: -70.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1028.985112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.985112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.985112 (E_RNA) where: Base-Base interactions energy: -716.950 where: short stacking energy: -289.691 Base-Backbone interact. energy: -1.369 local terms energy: -310.665941 where: bonds (distance) C4'-P energy: -58.141 bonds (distance) P-C4' energy: -67.232 flat angles C4'-P-C4' energy: -73.009 flat angles P-C4'-P energy: -39.851 tors. eta vs tors. theta energy: -72.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -862.751036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.751036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.751036 (E_RNA) where: Base-Base interactions energy: -572.368 where: short stacking energy: -242.431 Base-Backbone interact. energy: 0.742 local terms energy: -291.125239 where: bonds (distance) C4'-P energy: -52.365 bonds (distance) P-C4' energy: -65.715 flat angles C4'-P-C4' energy: -68.823 flat angles P-C4'-P energy: -40.652 tors. eta vs tors. theta energy: -63.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -867.678148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.678148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.678148 (E_RNA) where: Base-Base interactions energy: -616.653 where: short stacking energy: -265.445 Base-Backbone interact. energy: -0.297 local terms energy: -250.727711 where: bonds (distance) C4'-P energy: -49.224 bonds (distance) P-C4' energy: -47.398 flat angles C4'-P-C4' energy: -59.953 flat angles P-C4'-P energy: -38.539 tors. eta vs tors. theta energy: -55.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -755.560409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.560409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.560409 (E_RNA) where: Base-Base interactions energy: -512.654 where: short stacking energy: -235.109 Base-Backbone interact. energy: -1.058 local terms energy: -241.848952 where: bonds (distance) C4'-P energy: -50.868 bonds (distance) P-C4' energy: -59.921 flat angles C4'-P-C4' energy: -48.866 flat angles P-C4'-P energy: -29.505 tors. eta vs tors. theta energy: -52.688 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: 167 Temperature: 1.300000 Total energy: -565.376646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.376646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.376646 (E_RNA) where: Base-Base interactions energy: -351.264 where: short stacking energy: -164.024 Base-Backbone interact. energy: 0.428 local terms energy: -214.540009 where: bonds (distance) C4'-P energy: -60.032 bonds (distance) P-C4' energy: -54.657 flat angles C4'-P-C4' energy: -39.852 flat angles P-C4'-P energy: -29.850 tors. eta vs tors. theta energy: -30.149 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: 2 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -395.148940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.148940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.148940 (E_RNA) where: Base-Base interactions energy: -200.401 where: short stacking energy: -122.696 Base-Backbone interact. energy: 2.380 local terms energy: -197.127349 where: bonds (distance) C4'-P energy: -37.534 bonds (distance) P-C4' energy: -60.111 flat angles C4'-P-C4' energy: -45.657 flat angles P-C4'-P energy: -38.055 tors. eta vs tors. theta energy: -15.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1188.453000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.453000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.453000 (E_RNA) where: Base-Base interactions energy: -824.297 where: short stacking energy: -356.188 Base-Backbone interact. energy: -1.363 local terms energy: -362.792162 where: bonds (distance) C4'-P energy: -72.141 bonds (distance) P-C4' energy: -66.604 flat angles C4'-P-C4' energy: -71.284 flat angles P-C4'-P energy: -55.102 tors. eta vs tors. theta energy: -97.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1148.535599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.535599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.535599 (E_RNA) where: Base-Base interactions energy: -777.637 where: short stacking energy: -343.664 Base-Backbone interact. energy: -3.847 local terms energy: -367.050922 where: bonds (distance) C4'-P energy: -65.248 bonds (distance) P-C4' energy: -68.612 flat angles C4'-P-C4' energy: -70.327 flat angles P-C4'-P energy: -54.327 tors. eta vs tors. theta energy: -108.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1106.968562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.968562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.968562 (E_RNA) where: Base-Base interactions energy: -770.525 where: short stacking energy: -328.086 Base-Backbone interact. energy: -2.458 local terms energy: -333.985258 where: bonds (distance) C4'-P energy: -67.013 bonds (distance) P-C4' energy: -61.049 flat angles C4'-P-C4' energy: -66.511 flat angles P-C4'-P energy: -50.841 tors. eta vs tors. theta energy: -88.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1024.514624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.514624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.514624 (E_RNA) where: Base-Base interactions energy: -721.493 where: short stacking energy: -297.786 Base-Backbone interact. energy: -1.778 local terms energy: -301.243964 where: bonds (distance) C4'-P energy: -56.850 bonds (distance) P-C4' energy: -63.571 flat angles C4'-P-C4' energy: -70.889 flat angles P-C4'-P energy: -35.080 tors. eta vs tors. theta energy: -74.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1014.466692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.466692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.466692 (E_RNA) where: Base-Base interactions energy: -713.965 where: short stacking energy: -300.600 Base-Backbone interact. energy: -1.551 local terms energy: -298.950855 where: bonds (distance) C4'-P energy: -59.647 bonds (distance) P-C4' energy: -65.230 flat angles C4'-P-C4' energy: -58.234 flat angles P-C4'-P energy: -39.796 tors. eta vs tors. theta energy: -76.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -907.927451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.927451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.927451 (E_RNA) where: Base-Base interactions energy: -647.826 where: short stacking energy: -277.585 Base-Backbone interact. energy: -2.841 local terms energy: -257.260891 where: bonds (distance) C4'-P energy: -53.821 bonds (distance) P-C4' energy: -49.053 flat angles C4'-P-C4' energy: -52.341 flat angles P-C4'-P energy: -37.847 tors. eta vs tors. theta energy: -64.199 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: 8 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -867.059903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.059903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.059903 (E_RNA) where: Base-Base interactions energy: -588.726 where: short stacking energy: -224.275 Base-Backbone interact. energy: -0.984 local terms energy: -277.350167 where: bonds (distance) C4'-P energy: -61.411 bonds (distance) P-C4' energy: -64.509 flat angles C4'-P-C4' energy: -65.858 flat angles P-C4'-P energy: -41.192 tors. eta vs tors. theta energy: -44.380 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: 9 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -697.982684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.982684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.982684 (E_RNA) where: Base-Base interactions energy: -470.789 where: short stacking energy: -228.810 Base-Backbone interact. energy: 0.677 local terms energy: -227.870963 where: bonds (distance) C4'-P energy: -47.396 bonds (distance) P-C4' energy: -60.427 flat angles C4'-P-C4' energy: -55.185 flat angles P-C4'-P energy: -22.003 tors. eta vs tors. theta energy: -42.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -562.680883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.680883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.680883 (E_RNA) where: Base-Base interactions energy: -336.826 where: short stacking energy: -163.603 Base-Backbone interact. energy: -0.423 local terms energy: -225.431491 where: bonds (distance) C4'-P energy: -56.625 bonds (distance) P-C4' energy: -49.662 flat angles C4'-P-C4' energy: -58.771 flat angles P-C4'-P energy: -27.759 tors. eta vs tors. theta energy: -32.614 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: 2 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -423.156331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.156331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.156331 (E_RNA) where: Base-Base interactions energy: -259.305 where: short stacking energy: -151.997 Base-Backbone interact. energy: 1.095 local terms energy: -164.947023 where: bonds (distance) C4'-P energy: -34.806 bonds (distance) P-C4' energy: -51.871 flat angles C4'-P-C4' energy: -34.730 flat angles P-C4'-P energy: -30.638 tors. eta vs tors. theta energy: -12.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1180.192888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.192888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.192888 (E_RNA) where: Base-Base interactions energy: -830.645 where: short stacking energy: -368.287 Base-Backbone interact. energy: -1.210 local terms energy: -348.338125 where: bonds (distance) C4'-P energy: -56.046 bonds (distance) P-C4' energy: -56.347 flat angles C4'-P-C4' energy: -83.180 flat angles P-C4'-P energy: -52.233 tors. eta vs tors. theta energy: -100.532 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: 4 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1147.467790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.467790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.467790 (E_RNA) where: Base-Base interactions energy: -794.582 where: short stacking energy: -351.919 Base-Backbone interact. energy: -0.266 local terms energy: -352.619492 where: bonds (distance) C4'-P energy: -57.243 bonds (distance) P-C4' energy: -61.704 flat angles C4'-P-C4' energy: -75.354 flat angles P-C4'-P energy: -57.772 tors. eta vs tors. theta energy: -100.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1115.913118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.913118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.913118 (E_RNA) where: Base-Base interactions energy: -768.053 where: short stacking energy: -335.149 Base-Backbone interact. energy: -3.077 local terms energy: -344.782968 where: bonds (distance) C4'-P energy: -57.749 bonds (distance) P-C4' energy: -65.447 flat angles C4'-P-C4' energy: -76.803 flat angles P-C4'-P energy: -46.796 tors. eta vs tors. theta energy: -97.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1018.222036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.222036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.222036 (E_RNA) where: Base-Base interactions energy: -709.409 where: short stacking energy: -295.576 Base-Backbone interact. energy: -1.799 local terms energy: -307.014080 where: bonds (distance) C4'-P energy: -54.064 bonds (distance) P-C4' energy: -67.841 flat angles C4'-P-C4' energy: -65.618 flat angles P-C4'-P energy: -43.041 tors. eta vs tors. theta energy: -76.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -994.548747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.548747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.548747 (E_RNA) where: Base-Base interactions energy: -724.389 where: short stacking energy: -295.470 Base-Backbone interact. energy: -1.875 local terms energy: -268.284720 where: bonds (distance) C4'-P energy: -44.932 bonds (distance) P-C4' energy: -59.381 flat angles C4'-P-C4' energy: -55.005 flat angles P-C4'-P energy: -39.810 tors. eta vs tors. theta energy: -69.158 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: 6, replica: 7 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -902.472210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.472210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.472210 (E_RNA) where: Base-Base interactions energy: -623.515 where: short stacking energy: -259.389 Base-Backbone interact. energy: -1.598 local terms energy: -277.358735 where: bonds (distance) C4'-P energy: -52.254 bonds (distance) P-C4' energy: -57.480 flat angles C4'-P-C4' energy: -67.633 flat angles P-C4'-P energy: -41.923 tors. eta vs tors. theta energy: -58.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -834.952943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.952943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.952943 (E_RNA) where: Base-Base interactions energy: -572.966 where: short stacking energy: -222.951 Base-Backbone interact. energy: -0.879 local terms energy: -261.108710 where: bonds (distance) C4'-P energy: -66.144 bonds (distance) P-C4' energy: -63.268 flat angles C4'-P-C4' energy: -59.954 flat angles P-C4'-P energy: -27.536 tors. eta vs tors. theta energy: -44.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -681.677263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.677263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.677263 (E_RNA) where: Base-Base interactions energy: -464.756 where: short stacking energy: -215.814 Base-Backbone interact. energy: -2.775 local terms energy: -214.146120 where: bonds (distance) C4'-P energy: -44.045 bonds (distance) P-C4' energy: -58.015 flat angles C4'-P-C4' energy: -55.898 flat angles P-C4'-P energy: -19.280 tors. eta vs tors. theta energy: -36.908 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: 169 Temperature: 1.300000 Total energy: -548.760814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.760814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.760814 (E_RNA) where: Base-Base interactions energy: -326.981 where: short stacking energy: -154.930 Base-Backbone interact. energy: -0.561 local terms energy: -221.218471 where: bonds (distance) C4'-P energy: -58.982 bonds (distance) P-C4' energy: -60.086 flat angles C4'-P-C4' energy: -52.373 flat angles P-C4'-P energy: -29.289 tors. eta vs tors. theta energy: -20.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -418.216239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.216239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.216239 (E_RNA) where: Base-Base interactions energy: -215.724 where: short stacking energy: -107.136 Base-Backbone interact. energy: -0.135 local terms energy: -202.356934 where: bonds (distance) C4'-P energy: -50.785 bonds (distance) P-C4' energy: -59.044 flat angles C4'-P-C4' energy: -52.796 flat angles P-C4'-P energy: -33.546 tors. eta vs tors. theta energy: -6.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1181.989489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.989489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.989489 (E_RNA) where: Base-Base interactions energy: -825.985 where: short stacking energy: -361.302 Base-Backbone interact. energy: -0.362 local terms energy: -355.643292 where: bonds (distance) C4'-P energy: -61.502 bonds (distance) P-C4' energy: -69.396 flat angles C4'-P-C4' energy: -77.958 flat angles P-C4'-P energy: -45.582 tors. eta vs tors. theta energy: -101.206 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: 4 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1157.132339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.132339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.132339 (E_RNA) where: Base-Base interactions energy: -793.443 where: short stacking energy: -349.645 Base-Backbone interact. energy: 1.378 local terms energy: -365.067383 where: bonds (distance) C4'-P energy: -63.151 bonds (distance) P-C4' energy: -69.088 flat angles C4'-P-C4' energy: -73.475 flat angles P-C4'-P energy: -52.288 tors. eta vs tors. theta energy: -107.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1085.520236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.520236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.520236 (E_RNA) where: Base-Base interactions energy: -751.390 where: short stacking energy: -322.193 Base-Backbone interact. energy: -2.325 local terms energy: -331.804933 where: bonds (distance) C4'-P energy: -62.381 bonds (distance) P-C4' energy: -58.750 flat angles C4'-P-C4' energy: -76.854 flat angles P-C4'-P energy: -43.226 tors. eta vs tors. theta energy: -90.593 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: 5 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1037.642921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.642921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.642921 (E_RNA) where: Base-Base interactions energy: -713.775 where: short stacking energy: -306.602 Base-Backbone interact. energy: -1.716 local terms energy: -322.152000 where: bonds (distance) C4'-P energy: -60.199 bonds (distance) P-C4' energy: -56.646 flat angles C4'-P-C4' energy: -76.811 flat angles P-C4'-P energy: -45.815 tors. eta vs tors. theta energy: -82.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -979.540636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.540636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.540636 (E_RNA) where: Base-Base interactions energy: -684.802 where: short stacking energy: -273.707 Base-Backbone interact. energy: -4.820 local terms energy: -289.918320 where: bonds (distance) C4'-P energy: -56.953 bonds (distance) P-C4' energy: -60.616 flat angles C4'-P-C4' energy: -71.531 flat angles P-C4'-P energy: -38.960 tors. eta vs tors. theta energy: -61.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -908.723666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.723666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.723666 (E_RNA) where: Base-Base interactions energy: -636.472 where: short stacking energy: -278.053 Base-Backbone interact. energy: 1.755 local terms energy: -274.007507 where: bonds (distance) C4'-P energy: -58.444 bonds (distance) P-C4' energy: -56.613 flat angles C4'-P-C4' energy: -63.332 flat angles P-C4'-P energy: -37.302 tors. eta vs tors. theta energy: -58.317 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: 170 Temperature: 1.200000 Total energy: -753.550162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.550162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.550162 (E_RNA) where: Base-Base interactions energy: -502.741 where: short stacking energy: -215.851 Base-Backbone interact. energy: 6.258 local terms energy: -257.067359 where: bonds (distance) C4'-P energy: -66.899 bonds (distance) P-C4' energy: -65.339 flat angles C4'-P-C4' energy: -52.680 flat angles P-C4'-P energy: -39.835 tors. eta vs tors. theta energy: -32.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -799.906519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.906519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.906519 (E_RNA) where: Base-Base interactions energy: -561.502 where: short stacking energy: -246.190 Base-Backbone interact. energy: -0.946 local terms energy: -237.458767 where: bonds (distance) C4'-P energy: -50.740 bonds (distance) P-C4' energy: -54.269 flat angles C4'-P-C4' energy: -61.958 flat angles P-C4'-P energy: -23.193 tors. eta vs tors. theta energy: -47.299 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: 170 Temperature: 1.300000 Total energy: -567.526714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.526714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.526714 (E_RNA) where: Base-Base interactions energy: -344.007 where: short stacking energy: -172.463 Base-Backbone interact. energy: -1.292 local terms energy: -222.227978 where: bonds (distance) C4'-P energy: -47.383 bonds (distance) P-C4' energy: -61.643 flat angles C4'-P-C4' energy: -57.397 flat angles P-C4'-P energy: -28.241 tors. eta vs tors. theta energy: -27.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -380.385399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.385399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.385399 (E_RNA) where: Base-Base interactions energy: -204.080 where: short stacking energy: -105.980 Base-Backbone interact. energy: -2.496 local terms energy: -173.809227 where: bonds (distance) C4'-P energy: -45.420 bonds (distance) P-C4' energy: -47.640 flat angles C4'-P-C4' energy: -40.229 flat angles P-C4'-P energy: -30.622 tors. eta vs tors. theta energy: -9.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1188.164232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.164232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.164232 (E_RNA) where: Base-Base interactions energy: -829.301 where: short stacking energy: -359.136 Base-Backbone interact. energy: -0.791 local terms energy: -358.072131 where: bonds (distance) C4'-P energy: -68.649 bonds (distance) P-C4' energy: -63.078 flat angles C4'-P-C4' energy: -76.301 flat angles P-C4'-P energy: -49.219 tors. eta vs tors. theta energy: -100.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1155.646316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.646316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.646316 (E_RNA) where: Base-Base interactions energy: -808.586 where: short stacking energy: -361.783 Base-Backbone interact. energy: -1.342 local terms energy: -345.718362 where: bonds (distance) C4'-P energy: -67.303 bonds (distance) P-C4' energy: -59.700 flat angles C4'-P-C4' energy: -71.783 flat angles P-C4'-P energy: -41.911 tors. eta vs tors. theta energy: -105.022 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: 3, replica: 6 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1078.579197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.579197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.579197 (E_RNA) where: Base-Base interactions energy: -766.259 where: short stacking energy: -340.764 Base-Backbone interact. energy: -1.852 local terms energy: -310.467442 where: bonds (distance) C4'-P energy: -60.152 bonds (distance) P-C4' energy: -59.585 flat angles C4'-P-C4' energy: -63.245 flat angles P-C4'-P energy: -39.943 tors. eta vs tors. theta energy: -87.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1010.457377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.457377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.457377 (E_RNA) where: Base-Base interactions energy: -702.049 where: short stacking energy: -323.962 Base-Backbone interact. energy: -1.021 local terms energy: -307.387549 where: bonds (distance) C4'-P energy: -52.295 bonds (distance) P-C4' energy: -60.487 flat angles C4'-P-C4' energy: -70.512 flat angles P-C4'-P energy: -44.863 tors. eta vs tors. theta energy: -79.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1011.270247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.270247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.270247 (E_RNA) where: Base-Base interactions energy: -718.306 where: short stacking energy: -303.715 Base-Backbone interact. energy: -0.318 local terms energy: -292.645619 where: bonds (distance) C4'-P energy: -59.397 bonds (distance) P-C4' energy: -59.059 flat angles C4'-P-C4' energy: -67.878 flat angles P-C4'-P energy: -39.442 tors. eta vs tors. theta energy: -66.870 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: 7 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -949.148762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.148762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.148762 (E_RNA) where: Base-Base interactions energy: -662.145 where: short stacking energy: -289.113 Base-Backbone interact. energy: -1.159 local terms energy: -285.844340 where: bonds (distance) C4'-P energy: -36.305 bonds (distance) P-C4' energy: -55.374 flat angles C4'-P-C4' energy: -67.416 flat angles P-C4'-P energy: -53.083 tors. eta vs tors. theta energy: -73.666 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: 171 Temperature: 1.200000 Total energy: -797.580799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.580799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.580799 (E_RNA) where: Base-Base interactions energy: -518.699 where: short stacking energy: -227.172 Base-Backbone interact. energy: -0.287 local terms energy: -278.594616 where: bonds (distance) C4'-P energy: -59.394 bonds (distance) P-C4' energy: -61.806 flat angles C4'-P-C4' energy: -61.557 flat angles P-C4'-P energy: -43.691 tors. eta vs tors. theta energy: -52.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -805.190932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.190932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.190932 (E_RNA) where: Base-Base interactions energy: -561.811 where: short stacking energy: -229.461 Base-Backbone interact. energy: -2.147 local terms energy: -241.232867 where: bonds (distance) C4'-P energy: -33.632 bonds (distance) P-C4' energy: -71.191 flat angles C4'-P-C4' energy: -57.717 flat angles P-C4'-P energy: -32.367 tors. eta vs tors. theta energy: -46.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -557.768277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.768277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.768277 (E_RNA) where: Base-Base interactions energy: -324.176 where: short stacking energy: -154.372 Base-Backbone interact. energy: 1.333 local terms energy: -234.925358 where: bonds (distance) C4'-P energy: -54.767 bonds (distance) P-C4' energy: -72.181 flat angles C4'-P-C4' energy: -63.195 flat angles P-C4'-P energy: -29.998 tors. eta vs tors. theta energy: -14.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -377.990096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.990096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.990096 (E_RNA) where: Base-Base interactions energy: -184.398 where: short stacking energy: -108.023 Base-Backbone interact. energy: -1.553 local terms energy: -192.039599 where: bonds (distance) C4'-P energy: -51.668 bonds (distance) P-C4' energy: -51.107 flat angles C4'-P-C4' energy: -53.189 flat angles P-C4'-P energy: -32.363 tors. eta vs tors. theta energy: -3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1190.702845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.702845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.702845 (E_RNA) where: Base-Base interactions energy: -837.991 where: short stacking energy: -365.776 Base-Backbone interact. energy: -1.964 local terms energy: -350.747298 where: bonds (distance) C4'-P energy: -65.266 bonds (distance) P-C4' energy: -59.138 flat angles C4'-P-C4' energy: -68.997 flat angles P-C4'-P energy: -53.841 tors. eta vs tors. theta energy: -103.506 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: 4 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1151.436548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.436548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.436548 (E_RNA) where: Base-Base interactions energy: -792.315 where: short stacking energy: -343.761 Base-Backbone interact. energy: -0.512 local terms energy: -358.609471 where: bonds (distance) C4'-P energy: -58.490 bonds (distance) P-C4' energy: -71.603 flat angles C4'-P-C4' energy: -73.783 flat angles P-C4'-P energy: -44.969 tors. eta vs tors. theta energy: -109.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1067.873853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.873853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.873853 (E_RNA) where: Base-Base interactions energy: -743.974 where: short stacking energy: -326.616 Base-Backbone interact. energy: -3.792 local terms energy: -320.108158 where: bonds (distance) C4'-P energy: -55.275 bonds (distance) P-C4' energy: -67.155 flat angles C4'-P-C4' energy: -72.768 flat angles P-C4'-P energy: -37.047 tors. eta vs tors. theta energy: -87.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1056.436837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.436837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.436837 (E_RNA) where: Base-Base interactions energy: -733.107 where: short stacking energy: -317.699 Base-Backbone interact. energy: 5.162 local terms energy: -328.492757 where: bonds (distance) C4'-P energy: -61.820 bonds (distance) P-C4' energy: -55.456 flat angles C4'-P-C4' energy: -69.894 flat angles P-C4'-P energy: -53.962 tors. eta vs tors. theta energy: -87.361 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: 1 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -980.775304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.775304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.775304 (E_RNA) where: Base-Base interactions energy: -690.452 where: short stacking energy: -250.354 Base-Backbone interact. energy: -3.687 local terms energy: -286.635666 where: bonds (distance) C4'-P energy: -64.560 bonds (distance) P-C4' energy: -54.846 flat angles C4'-P-C4' energy: -60.003 flat angles P-C4'-P energy: -49.476 tors. eta vs tors. theta energy: -57.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -904.122929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.122929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.122929 (E_RNA) where: Base-Base interactions energy: -597.660 where: short stacking energy: -271.531 Base-Backbone interact. energy: -0.954 local terms energy: -305.509515 where: bonds (distance) C4'-P energy: -64.474 bonds (distance) P-C4' energy: -61.855 flat angles C4'-P-C4' energy: -70.848 flat angles P-C4'-P energy: -40.506 tors. eta vs tors. theta energy: -67.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -819.448160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.448160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.448160 (E_RNA) where: Base-Base interactions energy: -574.784 where: short stacking energy: -224.788 Base-Backbone interact. energy: -1.254 local terms energy: -243.409830 where: bonds (distance) C4'-P energy: -57.881 bonds (distance) P-C4' energy: -55.431 flat angles C4'-P-C4' energy: -51.970 flat angles P-C4'-P energy: -33.008 tors. eta vs tors. theta energy: -45.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -715.502061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.502061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.502061 (E_RNA) where: Base-Base interactions energy: -506.903 where: short stacking energy: -226.643 Base-Backbone interact. energy: -0.852 local terms energy: -207.746503 where: bonds (distance) C4'-P energy: -34.332 bonds (distance) P-C4' energy: -58.932 flat angles C4'-P-C4' energy: -47.617 flat angles P-C4'-P energy: -35.165 tors. eta vs tors. theta energy: -31.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -524.943960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.943960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.943960 (E_RNA) where: Base-Base interactions energy: -326.012 where: short stacking energy: -170.590 Base-Backbone interact. energy: -0.607 local terms energy: -198.324994 where: bonds (distance) C4'-P energy: -63.596 bonds (distance) P-C4' energy: -52.767 flat angles C4'-P-C4' energy: -48.322 flat angles P-C4'-P energy: -15.330 tors. eta vs tors. theta energy: -18.309 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: 2 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -394.813734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.813734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.813734 (E_RNA) where: Base-Base interactions energy: -203.940 where: short stacking energy: -125.706 Base-Backbone interact. energy: 0.242 local terms energy: -191.115871 where: bonds (distance) C4'-P energy: -42.521 bonds (distance) P-C4' energy: -62.246 flat angles C4'-P-C4' energy: -54.864 flat angles P-C4'-P energy: -25.316 tors. eta vs tors. theta energy: -6.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1196.523713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.523713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.523713 (E_RNA) where: Base-Base interactions energy: -837.774 where: short stacking energy: -371.619 Base-Backbone interact. energy: 0.278 local terms energy: -359.027321 where: bonds (distance) C4'-P energy: -61.019 bonds (distance) P-C4' energy: -67.385 flat angles C4'-P-C4' energy: -76.344 flat angles P-C4'-P energy: -51.599 tors. eta vs tors. theta energy: -102.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1146.061904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.061904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.061904 (E_RNA) where: Base-Base interactions energy: -784.327 where: short stacking energy: -355.486 Base-Backbone interact. energy: -0.760 local terms energy: -360.975364 where: bonds (distance) C4'-P energy: -62.815 bonds (distance) P-C4' energy: -68.832 flat angles C4'-P-C4' energy: -78.546 flat angles P-C4'-P energy: -50.473 tors. eta vs tors. theta energy: -100.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1060.361481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.361481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.361481 (E_RNA) where: Base-Base interactions energy: -763.172 where: short stacking energy: -318.287 Base-Backbone interact. energy: -2.733 local terms energy: -294.456243 where: bonds (distance) C4'-P energy: -47.693 bonds (distance) P-C4' energy: -54.302 flat angles C4'-P-C4' energy: -67.237 flat angles P-C4'-P energy: -34.765 tors. eta vs tors. theta energy: -90.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -998.409400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.409400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.409400 (E_RNA) where: Base-Base interactions energy: -693.431 where: short stacking energy: -304.731 Base-Backbone interact. energy: -1.817 local terms energy: -303.161756 where: bonds (distance) C4'-P energy: -57.764 bonds (distance) P-C4' energy: -54.498 flat angles C4'-P-C4' energy: -64.915 flat angles P-C4'-P energy: -41.786 tors. eta vs tors. theta energy: -84.199 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: 173 Temperature: 1.100000 Total energy: -991.005042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.005042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.005042 (E_RNA) where: Base-Base interactions energy: -710.599 where: short stacking energy: -305.036 Base-Backbone interact. energy: 0.406 local terms energy: -280.811467 where: bonds (distance) C4'-P energy: -53.248 bonds (distance) P-C4' energy: -49.593 flat angles C4'-P-C4' energy: -68.015 flat angles P-C4'-P energy: -39.665 tors. eta vs tors. theta energy: -70.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -890.379712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.379712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.379712 (E_RNA) where: Base-Base interactions energy: -595.081 where: short stacking energy: -260.332 Base-Backbone interact. energy: -0.022 local terms energy: -295.276760 where: bonds (distance) C4'-P energy: -58.354 bonds (distance) P-C4' energy: -61.529 flat angles C4'-P-C4' energy: -65.091 flat angles P-C4'-P energy: -46.747 tors. eta vs tors. theta energy: -63.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -827.532170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.532170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.532170 (E_RNA) where: Base-Base interactions energy: -585.991 where: short stacking energy: -236.183 Base-Backbone interact. energy: 0.754 local terms energy: -242.295229 where: bonds (distance) C4'-P energy: -44.819 bonds (distance) P-C4' energy: -54.488 flat angles C4'-P-C4' energy: -67.125 flat angles P-C4'-P energy: -30.660 tors. eta vs tors. theta energy: -45.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -760.869312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.869312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.869312 (E_RNA) where: Base-Base interactions energy: -525.483 where: short stacking energy: -230.023 Base-Backbone interact. energy: -0.870 local terms energy: -234.516151 where: bonds (distance) C4'-P energy: -54.242 bonds (distance) P-C4' energy: -54.880 flat angles C4'-P-C4' energy: -56.415 flat angles P-C4'-P energy: -31.061 tors. eta vs tors. theta energy: -37.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -545.683873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.683873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.683873 (E_RNA) where: Base-Base interactions energy: -358.891 where: short stacking energy: -170.885 Base-Backbone interact. energy: -0.709 local terms energy: -186.083860 where: bonds (distance) C4'-P energy: -43.197 bonds (distance) P-C4' energy: -33.436 flat angles C4'-P-C4' energy: -53.920 flat angles P-C4'-P energy: -36.322 tors. eta vs tors. theta energy: -19.210 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: 10, replica: 2 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -423.703431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.703431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.703431 (E_RNA) where: Base-Base interactions energy: -226.257 where: short stacking energy: -101.343 Base-Backbone interact. energy: 1.917 local terms energy: -199.363308 where: bonds (distance) C4'-P energy: -51.691 bonds (distance) P-C4' energy: -52.695 flat angles C4'-P-C4' energy: -54.697 flat angles P-C4'-P energy: -25.404 tors. eta vs tors. theta energy: -14.875 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: 10 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1194.942750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.942750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.942750 (E_RNA) where: Base-Base interactions energy: -831.527 where: short stacking energy: -373.926 Base-Backbone interact. energy: -0.086 local terms energy: -363.330323 where: bonds (distance) C4'-P energy: -58.074 bonds (distance) P-C4' energy: -71.167 flat angles C4'-P-C4' energy: -77.789 flat angles P-C4'-P energy: -49.813 tors. eta vs tors. theta energy: -106.488 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: 4 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1150.838599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.838599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.838599 (E_RNA) where: Base-Base interactions energy: -804.291 where: short stacking energy: -359.426 Base-Backbone interact. energy: -0.614 local terms energy: -345.932997 where: bonds (distance) C4'-P energy: -60.830 bonds (distance) P-C4' energy: -63.332 flat angles C4'-P-C4' energy: -66.088 flat angles P-C4'-P energy: -51.549 tors. eta vs tors. theta energy: -104.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1079.251717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.251717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.251717 (E_RNA) where: Base-Base interactions energy: -742.835 where: short stacking energy: -311.680 Base-Backbone interact. energy: -1.927 local terms energy: -334.489100 where: bonds (distance) C4'-P energy: -62.056 bonds (distance) P-C4' energy: -65.328 flat angles C4'-P-C4' energy: -71.006 flat angles P-C4'-P energy: -51.330 tors. eta vs tors. theta energy: -84.768 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: 5 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1018.400059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.400059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.400059 (E_RNA) where: Base-Base interactions energy: -700.273 where: short stacking energy: -315.253 Base-Backbone interact. energy: -1.121 local terms energy: -317.005640 where: bonds (distance) C4'-P energy: -56.895 bonds (distance) P-C4' energy: -61.271 flat angles C4'-P-C4' energy: -72.926 flat angles P-C4'-P energy: -46.021 tors. eta vs tors. theta energy: -79.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -964.000889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.000889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.000889 (E_RNA) where: Base-Base interactions energy: -696.463 where: short stacking energy: -263.076 Base-Backbone interact. energy: 1.792 local terms energy: -269.330781 where: bonds (distance) C4'-P energy: -53.324 bonds (distance) P-C4' energy: -58.716 flat angles C4'-P-C4' energy: -62.103 flat angles P-C4'-P energy: -40.935 tors. eta vs tors. theta energy: -54.253 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: 7 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -890.315513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.315513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.315513 (E_RNA) where: Base-Base interactions energy: -618.564 where: short stacking energy: -264.944 Base-Backbone interact. energy: -1.247 local terms energy: -270.504656 where: bonds (distance) C4'-P energy: -44.029 bonds (distance) P-C4' energy: -68.079 flat angles C4'-P-C4' energy: -60.554 flat angles P-C4'-P energy: -27.447 tors. eta vs tors. theta energy: -70.396 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: 8 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -864.548287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.548287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.548287 (E_RNA) where: Base-Base interactions energy: -610.803 where: short stacking energy: -268.282 Base-Backbone interact. energy: 0.364 local terms energy: -254.109262 where: bonds (distance) C4'-P energy: -58.841 bonds (distance) P-C4' energy: -43.428 flat angles C4'-P-C4' energy: -54.979 flat angles P-C4'-P energy: -39.113 tors. eta vs tors. theta energy: -57.747 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: 9 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -740.354461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.354461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.354461 (E_RNA) where: Base-Base interactions energy: -496.783 where: short stacking energy: -203.540 Base-Backbone interact. energy: -1.310 local terms energy: -242.260957 where: bonds (distance) C4'-P energy: -57.521 bonds (distance) P-C4' energy: -62.474 flat angles C4'-P-C4' energy: -55.952 flat angles P-C4'-P energy: -22.203 tors. eta vs tors. theta energy: -44.110 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: 9, replica: 3 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -566.952553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.952553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.952553 (E_RNA) where: Base-Base interactions energy: -348.416 where: short stacking energy: -154.267 Base-Backbone interact. energy: 0.966 local terms energy: -219.501865 where: bonds (distance) C4'-P energy: -51.066 bonds (distance) P-C4' energy: -60.761 flat angles C4'-P-C4' energy: -45.219 flat angles P-C4'-P energy: -33.574 tors. eta vs tors. theta energy: -28.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -434.297920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.297920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.297920 (E_RNA) where: Base-Base interactions energy: -258.873 where: short stacking energy: -136.541 Base-Backbone interact. energy: 1.586 local terms energy: -177.011008 where: bonds (distance) C4'-P energy: -50.025 bonds (distance) P-C4' energy: -40.855 flat angles C4'-P-C4' energy: -56.762 flat angles P-C4'-P energy: -17.053 tors. eta vs tors. theta energy: -12.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1193.503255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.503255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.503255 (E_RNA) where: Base-Base interactions energy: -839.898 where: short stacking energy: -364.049 Base-Backbone interact. energy: -2.340 local terms energy: -351.264985 where: bonds (distance) C4'-P energy: -56.667 bonds (distance) P-C4' energy: -66.335 flat angles C4'-P-C4' energy: -76.259 flat angles P-C4'-P energy: -46.939 tors. eta vs tors. theta energy: -105.065 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: 4 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1146.808416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.808416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.808416 (E_RNA) where: Base-Base interactions energy: -791.805 where: short stacking energy: -346.552 Base-Backbone interact. energy: -0.140 local terms energy: -354.863860 where: bonds (distance) C4'-P energy: -65.327 bonds (distance) P-C4' energy: -55.085 flat angles C4'-P-C4' energy: -72.946 flat angles P-C4'-P energy: -57.521 tors. eta vs tors. theta energy: -103.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1079.498095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.498095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.498095 (E_RNA) where: Base-Base interactions energy: -752.092 where: short stacking energy: -319.827 Base-Backbone interact. energy: -1.815 local terms energy: -325.591772 where: bonds (distance) C4'-P energy: -58.175 bonds (distance) P-C4' energy: -65.499 flat angles C4'-P-C4' energy: -65.124 flat angles P-C4'-P energy: -48.875 tors. eta vs tors. theta energy: -87.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1013.969374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.969374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.969374 (E_RNA) where: Base-Base interactions energy: -691.745 where: short stacking energy: -295.493 Base-Backbone interact. energy: -2.793 local terms energy: -319.431794 where: bonds (distance) C4'-P energy: -59.404 bonds (distance) P-C4' energy: -69.297 flat angles C4'-P-C4' energy: -70.243 flat angles P-C4'-P energy: -48.650 tors. eta vs tors. theta energy: -71.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -974.038987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.038987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.038987 (E_RNA) where: Base-Base interactions energy: -703.057 where: short stacking energy: -287.040 Base-Backbone interact. energy: -0.356 local terms energy: -270.625958 where: bonds (distance) C4'-P energy: -60.415 bonds (distance) P-C4' energy: -50.986 flat angles C4'-P-C4' energy: -50.945 flat angles P-C4'-P energy: -39.893 tors. eta vs tors. theta energy: -68.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -918.953966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.953966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.953966 (E_RNA) where: Base-Base interactions energy: -644.353 where: short stacking energy: -265.928 Base-Backbone interact. energy: -2.229 local terms energy: -272.372857 where: bonds (distance) C4'-P energy: -57.375 bonds (distance) P-C4' energy: -51.128 flat angles C4'-P-C4' energy: -54.190 flat angles P-C4'-P energy: -47.114 tors. eta vs tors. theta energy: -62.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -845.529913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.529913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.529913 (E_RNA) where: Base-Base interactions energy: -593.075 where: short stacking energy: -245.655 Base-Backbone interact. energy: 0.594 local terms energy: -253.048882 where: bonds (distance) C4'-P energy: -59.071 bonds (distance) P-C4' energy: -47.440 flat angles C4'-P-C4' energy: -62.153 flat angles P-C4'-P energy: -39.163 tors. eta vs tors. theta energy: -45.222 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: 8, replica: 9 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -759.102814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.102814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.102814 (E_RNA) where: Base-Base interactions energy: -523.079 where: short stacking energy: -236.106 Base-Backbone interact. energy: -0.685 local terms energy: -235.339370 where: bonds (distance) C4'-P energy: -57.245 bonds (distance) P-C4' energy: -56.353 flat angles C4'-P-C4' energy: -43.943 flat angles P-C4'-P energy: -31.223 tors. eta vs tors. theta energy: -46.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -603.481180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.481180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.481180 (E_RNA) where: Base-Base interactions energy: -375.121 where: short stacking energy: -176.062 Base-Backbone interact. energy: 5.795 local terms energy: -234.154795 where: bonds (distance) C4'-P energy: -53.672 bonds (distance) P-C4' energy: -53.370 flat angles C4'-P-C4' energy: -52.734 flat angles P-C4'-P energy: -35.450 tors. eta vs tors. theta energy: -38.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -421.046570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.046570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.046570 (E_RNA) where: Base-Base interactions energy: -234.680 where: short stacking energy: -125.720 Base-Backbone interact. energy: 3.319 local terms energy: -189.685451 where: bonds (distance) C4'-P energy: -53.399 bonds (distance) P-C4' energy: -54.967 flat angles C4'-P-C4' energy: -56.273 flat angles P-C4'-P energy: -19.553 tors. eta vs tors. theta energy: -5.494 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: 4 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1181.710619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.710619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.710619 (E_RNA) where: Base-Base interactions energy: -821.369 where: short stacking energy: -350.447 Base-Backbone interact. energy: -0.798 local terms energy: -359.543624 where: bonds (distance) C4'-P energy: -65.293 bonds (distance) P-C4' energy: -72.083 flat angles C4'-P-C4' energy: -70.987 flat angles P-C4'-P energy: -52.018 tors. eta vs tors. theta energy: -99.163 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: 10 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1168.074375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.074375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.074375 (E_RNA) where: Base-Base interactions energy: -836.052 where: short stacking energy: -349.160 Base-Backbone interact. energy: -1.704 local terms energy: -330.318123 where: bonds (distance) C4'-P energy: -59.564 bonds (distance) P-C4' energy: -56.152 flat angles C4'-P-C4' energy: -76.204 flat angles P-C4'-P energy: -42.174 tors. eta vs tors. theta energy: -96.225 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: 6 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1087.972521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.972521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.972521 (E_RNA) where: Base-Base interactions energy: -762.371 where: short stacking energy: -321.731 Base-Backbone interact. energy: 2.323 local terms energy: -327.924653 where: bonds (distance) C4'-P energy: -69.329 bonds (distance) P-C4' energy: -56.539 flat angles C4'-P-C4' energy: -67.032 flat angles P-C4'-P energy: -50.130 tors. eta vs tors. theta energy: -84.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -994.950012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.950012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.950012 (E_RNA) where: Base-Base interactions energy: -702.465 where: short stacking energy: -304.252 Base-Backbone interact. energy: -0.124 local terms energy: -292.361028 where: bonds (distance) C4'-P energy: -59.357 bonds (distance) P-C4' energy: -53.392 flat angles C4'-P-C4' energy: -62.487 flat angles P-C4'-P energy: -44.801 tors. eta vs tors. theta energy: -72.324 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: 1 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -968.466915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.466915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.466915 (E_RNA) where: Base-Base interactions energy: -709.059 where: short stacking energy: -280.273 Base-Backbone interact. energy: -2.490 local terms energy: -256.917804 where: bonds (distance) C4'-P energy: -57.266 bonds (distance) P-C4' energy: -51.890 flat angles C4'-P-C4' energy: -59.186 flat angles P-C4'-P energy: -31.562 tors. eta vs tors. theta energy: -57.013 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: 6, replica: 7 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -941.203201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.203201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.203201 (E_RNA) where: Base-Base interactions energy: -654.816 where: short stacking energy: -303.182 Base-Backbone interact. energy: -2.496 local terms energy: -283.891149 where: bonds (distance) C4'-P energy: -49.455 bonds (distance) P-C4' energy: -49.767 flat angles C4'-P-C4' energy: -70.387 flat angles P-C4'-P energy: -38.984 tors. eta vs tors. theta energy: -75.298 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: 8 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -828.601800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.601800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.601800 (E_RNA) where: Base-Base interactions energy: -572.965 where: short stacking energy: -252.362 Base-Backbone interact. energy: -0.800 local terms energy: -254.836887 where: bonds (distance) C4'-P energy: -51.214 bonds (distance) P-C4' energy: -50.213 flat angles C4'-P-C4' energy: -55.935 flat angles P-C4'-P energy: -43.173 tors. eta vs tors. theta energy: -54.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -726.039005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.039005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.039005 (E_RNA) where: Base-Base interactions energy: -498.506 where: short stacking energy: -216.320 Base-Backbone interact. energy: 0.197 local terms energy: -227.729684 where: bonds (distance) C4'-P energy: -55.852 bonds (distance) P-C4' energy: -50.016 flat angles C4'-P-C4' energy: -57.552 flat angles P-C4'-P energy: -25.589 tors. eta vs tors. theta energy: -38.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -627.627531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.627531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.627531 (E_RNA) where: Base-Base interactions energy: -405.466 where: short stacking energy: -174.803 Base-Backbone interact. energy: -0.863 local terms energy: -221.298357 where: bonds (distance) C4'-P energy: -46.920 bonds (distance) P-C4' energy: -51.357 flat angles C4'-P-C4' energy: -60.063 flat angles P-C4'-P energy: -19.958 tors. eta vs tors. theta energy: -43.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -445.423854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.423854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.423854 (E_RNA) where: Base-Base interactions energy: -254.574 where: short stacking energy: -137.841 Base-Backbone interact. energy: -0.277 local terms energy: -190.573271 where: bonds (distance) C4'-P energy: -55.139 bonds (distance) P-C4' energy: -38.905 flat angles C4'-P-C4' energy: -53.417 flat angles P-C4'-P energy: -30.309 tors. eta vs tors. theta energy: -12.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1181.624476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.624476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.624476 (E_RNA) where: Base-Base interactions energy: -817.258 where: short stacking energy: -369.434 Base-Backbone interact. energy: -1.250 local terms energy: -363.117226 where: bonds (distance) C4'-P energy: -68.026 bonds (distance) P-C4' energy: -64.338 flat angles C4'-P-C4' energy: -75.974 flat angles P-C4'-P energy: -49.670 tors. eta vs tors. theta energy: -105.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1175.866240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.866240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.866240 (E_RNA) where: Base-Base interactions energy: -833.034 where: short stacking energy: -356.785 Base-Backbone interact. energy: -1.801 local terms energy: -341.031937 where: bonds (distance) C4'-P energy: -58.892 bonds (distance) P-C4' energy: -58.595 flat angles C4'-P-C4' energy: -74.827 flat angles P-C4'-P energy: -51.882 tors. eta vs tors. theta energy: -96.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1072.353283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.353283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.353283 (E_RNA) where: Base-Base interactions energy: -752.258 where: short stacking energy: -330.998 Base-Backbone interact. energy: -2.514 local terms energy: -317.580778 where: bonds (distance) C4'-P energy: -54.864 bonds (distance) P-C4' energy: -63.730 flat angles C4'-P-C4' energy: -69.232 flat angles P-C4'-P energy: -45.472 tors. eta vs tors. theta energy: -84.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1024.210395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.210395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.210395 (E_RNA) where: Base-Base interactions energy: -732.404 where: short stacking energy: -282.587 Base-Backbone interact. energy: -1.778 local terms energy: -290.028713 where: bonds (distance) C4'-P energy: -64.207 bonds (distance) P-C4' energy: -58.340 flat angles C4'-P-C4' energy: -65.069 flat angles P-C4'-P energy: -32.656 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: 5, replica: 5 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -991.653565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.653565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.653565 (E_RNA) where: Base-Base interactions energy: -720.694 where: short stacking energy: -296.238 Base-Backbone interact. energy: 0.755 local terms energy: -271.713891 where: bonds (distance) C4'-P energy: -54.303 bonds (distance) P-C4' energy: -43.341 flat angles C4'-P-C4' energy: -58.929 flat angles P-C4'-P energy: -39.320 tors. eta vs tors. theta energy: -75.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -922.052942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.052942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.052942 (E_RNA) where: Base-Base interactions energy: -625.586 where: short stacking energy: -274.033 Base-Backbone interact. energy: -1.497 local terms energy: -294.970193 where: bonds (distance) C4'-P energy: -54.690 bonds (distance) P-C4' energy: -59.375 flat angles C4'-P-C4' energy: -62.214 flat angles P-C4'-P energy: -48.542 tors. eta vs tors. theta energy: -70.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -817.266706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.266706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.266706 (E_RNA) where: Base-Base interactions energy: -534.054 where: short stacking energy: -238.433 Base-Backbone interact. energy: -0.876 local terms energy: -282.336537 where: bonds (distance) C4'-P energy: -54.802 bonds (distance) P-C4' energy: -59.091 flat angles C4'-P-C4' energy: -64.222 flat angles P-C4'-P energy: -45.710 tors. eta vs tors. theta energy: -58.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -767.410726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.410726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.410726 (E_RNA) where: Base-Base interactions energy: -505.352 where: short stacking energy: -239.110 Base-Backbone interact. energy: 1.311 local terms energy: -263.370088 where: bonds (distance) C4'-P energy: -52.985 bonds (distance) P-C4' energy: -61.124 flat angles C4'-P-C4' energy: -58.765 flat angles P-C4'-P energy: -29.658 tors. eta vs tors. theta energy: -60.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -666.102374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.102374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.102374 (E_RNA) where: Base-Base interactions energy: -435.238 where: short stacking energy: -207.144 Base-Backbone interact. energy: -0.799 local terms energy: -230.064796 where: bonds (distance) C4'-P energy: -47.170 bonds (distance) P-C4' energy: -54.898 flat angles C4'-P-C4' energy: -50.745 flat angles P-C4'-P energy: -32.079 tors. eta vs tors. theta energy: -45.173 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: 2 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -387.844646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.844646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.844646 (E_RNA) where: Base-Base interactions energy: -205.302 where: short stacking energy: -109.634 Base-Backbone interact. energy: 1.318 local terms energy: -183.861125 where: bonds (distance) C4'-P energy: -32.970 bonds (distance) P-C4' energy: -54.987 flat angles C4'-P-C4' energy: -60.152 flat angles P-C4'-P energy: -35.547 tors. eta vs tors. theta energy: -0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1185.798828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.798828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.798828 (E_RNA) where: Base-Base interactions energy: -822.291 where: short stacking energy: -370.269 Base-Backbone interact. energy: -1.940 local terms energy: -361.567680 where: bonds (distance) C4'-P energy: -67.614 bonds (distance) P-C4' energy: -66.580 flat angles C4'-P-C4' energy: -73.671 flat angles P-C4'-P energy: -53.275 tors. eta vs tors. theta energy: -100.428 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: 178 Temperature: 0.950000 Total energy: -1173.337407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.337407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.337407 (E_RNA) where: Base-Base interactions energy: -812.992 where: short stacking energy: -356.916 Base-Backbone interact. energy: -0.513 local terms energy: -359.832602 where: bonds (distance) C4'-P energy: -63.576 bonds (distance) P-C4' energy: -62.647 flat angles C4'-P-C4' energy: -75.649 flat angles P-C4'-P energy: -48.146 tors. eta vs tors. theta energy: -109.815 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: 3, replica: 6 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1070.711429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.711429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.711429 (E_RNA) where: Base-Base interactions energy: -742.184 where: short stacking energy: -328.640 Base-Backbone interact. energy: -1.548 local terms energy: -326.979542 where: bonds (distance) C4'-P energy: -66.389 bonds (distance) P-C4' energy: -60.213 flat angles C4'-P-C4' energy: -72.071 flat angles P-C4'-P energy: -44.758 tors. eta vs tors. theta energy: -83.549 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: 1 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1009.904834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.904834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.904834 (E_RNA) where: Base-Base interactions energy: -711.678 where: short stacking energy: -297.325 Base-Backbone interact. energy: 0.166 local terms energy: -298.393272 where: bonds (distance) C4'-P energy: -60.542 bonds (distance) P-C4' energy: -59.769 flat angles C4'-P-C4' energy: -66.473 flat angles P-C4'-P energy: -40.713 tors. eta vs tors. theta energy: -70.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -971.241289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.241289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.241289 (E_RNA) where: Base-Base interactions energy: -682.089 where: short stacking energy: -292.422 Base-Backbone interact. energy: -1.051 local terms energy: -288.101489 where: bonds (distance) C4'-P energy: -50.919 bonds (distance) P-C4' energy: -61.217 flat angles C4'-P-C4' energy: -61.145 flat angles P-C4'-P energy: -40.496 tors. eta vs tors. theta energy: -74.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -928.222956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.222956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.222956 (E_RNA) where: Base-Base interactions energy: -639.939 where: short stacking energy: -275.259 Base-Backbone interact. energy: -1.694 local terms energy: -286.590878 where: bonds (distance) C4'-P energy: -63.777 bonds (distance) P-C4' energy: -58.600 flat angles C4'-P-C4' energy: -59.214 flat angles P-C4'-P energy: -35.390 tors. eta vs tors. theta energy: -69.610 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: 178 Temperature: 1.200000 Total energy: -849.951127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.951127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.951127 (E_RNA) where: Base-Base interactions energy: -592.819 where: short stacking energy: -259.046 Base-Backbone interact. energy: -1.269 local terms energy: -255.863242 where: bonds (distance) C4'-P energy: -60.481 bonds (distance) P-C4' energy: -52.340 flat angles C4'-P-C4' energy: -57.375 flat angles P-C4'-P energy: -24.226 tors. eta vs tors. theta energy: -61.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -750.447661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.447661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.447661 (E_RNA) where: Base-Base interactions energy: -502.134 where: short stacking energy: -216.962 Base-Backbone interact. energy: -1.886 local terms energy: -246.427248 where: bonds (distance) C4'-P energy: -48.203 bonds (distance) P-C4' energy: -60.598 flat angles C4'-P-C4' energy: -64.306 flat angles P-C4'-P energy: -28.031 tors. eta vs tors. theta energy: -45.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -611.556428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.556428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.556428 (E_RNA) where: Base-Base interactions energy: -410.742 where: short stacking energy: -184.550 Base-Backbone interact. energy: 2.322 local terms energy: -203.136987 where: bonds (distance) C4'-P energy: -37.887 bonds (distance) P-C4' energy: -47.748 flat angles C4'-P-C4' energy: -53.143 flat angles P-C4'-P energy: -33.843 tors. eta vs tors. theta energy: -30.516 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: 2 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -396.150276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.150276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.150276 (E_RNA) where: Base-Base interactions energy: -190.838 where: short stacking energy: -109.453 Base-Backbone interact. energy: 0.701 local terms energy: -206.013227 where: bonds (distance) C4'-P energy: -64.067 bonds (distance) P-C4' energy: -56.167 flat angles C4'-P-C4' energy: -44.022 flat angles P-C4'-P energy: -30.176 tors. eta vs tors. theta energy: -11.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1187.244884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.244884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.244884 (E_RNA) where: Base-Base interactions energy: -824.631 where: short stacking energy: -356.870 Base-Backbone interact. energy: -1.807 local terms energy: -360.807423 where: bonds (distance) C4'-P energy: -61.492 bonds (distance) P-C4' energy: -65.854 flat angles C4'-P-C4' energy: -73.756 flat angles P-C4'-P energy: -59.204 tors. eta vs tors. theta energy: -100.501 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: 2, replica: 4 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1177.099953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.099953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.099953 (E_RNA) where: Base-Base interactions energy: -831.072 where: short stacking energy: -363.919 Base-Backbone interact. energy: -0.239 local terms energy: -345.789187 where: bonds (distance) C4'-P energy: -53.873 bonds (distance) P-C4' energy: -68.646 flat angles C4'-P-C4' energy: -68.237 flat angles P-C4'-P energy: -47.681 tors. eta vs tors. theta energy: -107.352 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: 3, replica: 6 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1086.128395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.128395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.128395 (E_RNA) where: Base-Base interactions energy: -750.077 where: short stacking energy: -330.094 Base-Backbone interact. energy: 0.427 local terms energy: -336.478540 where: bonds (distance) C4'-P energy: -66.297 bonds (distance) P-C4' energy: -60.983 flat angles C4'-P-C4' energy: -72.360 flat angles P-C4'-P energy: -50.060 tors. eta vs tors. theta energy: -86.778 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: 1 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1022.476376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.476376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.476376 (E_RNA) where: Base-Base interactions energy: -715.932 where: short stacking energy: -281.868 Base-Backbone interact. energy: 1.365 local terms energy: -307.909889 where: bonds (distance) C4'-P energy: -64.896 bonds (distance) P-C4' energy: -55.016 flat angles C4'-P-C4' energy: -69.849 flat angles P-C4'-P energy: -44.469 tors. eta vs tors. theta energy: -73.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -969.348690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.348690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.348690 (E_RNA) where: Base-Base interactions energy: -680.626 where: short stacking energy: -288.382 Base-Backbone interact. energy: 1.405 local terms energy: -290.128374 where: bonds (distance) C4'-P energy: -61.763 bonds (distance) P-C4' energy: -57.496 flat angles C4'-P-C4' energy: -62.684 flat angles P-C4'-P energy: -34.773 tors. eta vs tors. theta energy: -73.413 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: 7 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -894.551962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.551962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.551962 (E_RNA) where: Base-Base interactions energy: -626.881 where: short stacking energy: -283.943 Base-Backbone interact. energy: -0.197 local terms energy: -267.474481 where: bonds (distance) C4'-P energy: -41.688 bonds (distance) P-C4' energy: -60.309 flat angles C4'-P-C4' energy: -64.250 flat angles P-C4'-P energy: -29.717 tors. eta vs tors. theta energy: -71.510 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: 179 Temperature: 1.200000 Total energy: -838.478063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.478063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.478063 (E_RNA) where: Base-Base interactions energy: -563.239 where: short stacking energy: -256.273 Base-Backbone interact. energy: -3.033 local terms energy: -272.206204 where: bonds (distance) C4'-P energy: -61.324 bonds (distance) P-C4' energy: -60.518 flat angles C4'-P-C4' energy: -64.748 flat angles P-C4'-P energy: -31.733 tors. eta vs tors. theta energy: -53.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -758.515170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.515170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.515170 (E_RNA) where: Base-Base interactions energy: -543.133 where: short stacking energy: -237.396 Base-Backbone interact. energy: -2.625 local terms energy: -212.757188 where: bonds (distance) C4'-P energy: -46.849 bonds (distance) P-C4' energy: -40.316 flat angles C4'-P-C4' energy: -52.610 flat angles P-C4'-P energy: -34.436 tors. eta vs tors. theta energy: -38.546 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: 3 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -589.634681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.634681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.634681 (E_RNA) where: Base-Base interactions energy: -383.728 where: short stacking energy: -173.120 Base-Backbone interact. energy: 1.662 local terms energy: -207.568822 where: bonds (distance) C4'-P energy: -47.761 bonds (distance) P-C4' energy: -59.187 flat angles C4'-P-C4' energy: -54.153 flat angles P-C4'-P energy: -27.666 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: 10, replica: 2 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -378.067116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.067116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.067116 (E_RNA) where: Base-Base interactions energy: -163.670 where: short stacking energy: -97.244 Base-Backbone interact. energy: -1.253 local terms energy: -213.144084 where: bonds (distance) C4'-P energy: -63.184 bonds (distance) P-C4' energy: -58.822 flat angles C4'-P-C4' energy: -55.222 flat angles P-C4'-P energy: -33.799 tors. eta vs tors. theta energy: -2.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1206.103531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.103531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.103531 (E_RNA) where: Base-Base interactions energy: -858.049 where: short stacking energy: -357.084 Base-Backbone interact. energy: -1.145 local terms energy: -346.908986 where: bonds (distance) C4'-P energy: -58.530 bonds (distance) P-C4' energy: -66.726 flat angles C4'-P-C4' energy: -76.666 flat angles P-C4'-P energy: -43.098 tors. eta vs tors. theta energy: -101.889 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: 180 Temperature: 0.950000 Total energy: -1154.013526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.013526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.013526 (E_RNA) where: Base-Base interactions energy: -800.187 where: short stacking energy: -358.298 Base-Backbone interact. energy: -1.323 local terms energy: -352.503188 where: bonds (distance) C4'-P energy: -62.977 bonds (distance) P-C4' energy: -67.852 flat angles C4'-P-C4' energy: -75.385 flat angles P-C4'-P energy: -42.261 tors. eta vs tors. theta energy: -104.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1054.241848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.241848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.241848 (E_RNA) where: Base-Base interactions energy: -735.510 where: short stacking energy: -306.178 Base-Backbone interact. energy: 1.327 local terms energy: -320.059083 where: bonds (distance) C4'-P energy: -62.000 bonds (distance) P-C4' energy: -58.915 flat angles C4'-P-C4' energy: -71.511 flat angles P-C4'-P energy: -50.313 tors. eta vs tors. theta energy: -77.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1023.091778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.091778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.091778 (E_RNA) where: Base-Base interactions energy: -734.556 where: short stacking energy: -305.677 Base-Backbone interact. energy: -1.211 local terms energy: -287.325202 where: bonds (distance) C4'-P energy: -50.190 bonds (distance) P-C4' energy: -61.922 flat angles C4'-P-C4' energy: -67.056 flat angles P-C4'-P energy: -43.494 tors. eta vs tors. theta energy: -64.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1005.901973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.901973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.901973 (E_RNA) where: Base-Base interactions energy: -698.902 where: short stacking energy: -300.741 Base-Backbone interact. energy: -0.867 local terms energy: -306.132464 where: bonds (distance) C4'-P energy: -49.802 bonds (distance) P-C4' energy: -63.588 flat angles C4'-P-C4' energy: -70.195 flat angles P-C4'-P energy: -45.640 tors. eta vs tors. theta energy: -76.908 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: 7 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -892.589948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.589948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.589948 (E_RNA) where: Base-Base interactions energy: -638.325 where: short stacking energy: -278.908 Base-Backbone interact. energy: -0.987 local terms energy: -253.277949 where: bonds (distance) C4'-P energy: -47.644 bonds (distance) P-C4' energy: -65.825 flat angles C4'-P-C4' energy: -50.376 flat angles P-C4'-P energy: -26.000 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: 7, replica: 9 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -793.505350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.505350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.505350 (E_RNA) where: Base-Base interactions energy: -540.239 where: short stacking energy: -248.039 Base-Backbone interact. energy: 0.951 local terms energy: -254.217643 where: bonds (distance) C4'-P energy: -66.774 bonds (distance) P-C4' energy: -46.417 flat angles C4'-P-C4' energy: -56.841 flat angles P-C4'-P energy: -29.596 tors. eta vs tors. theta energy: -54.591 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: 180 Temperature: 1.250000 Total energy: -807.525458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.525458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.525458 (E_RNA) where: Base-Base interactions energy: -559.649 where: short stacking energy: -234.538 Base-Backbone interact. energy: 4.807 local terms energy: -252.682849 where: bonds (distance) C4'-P energy: -57.903 bonds (distance) P-C4' energy: -55.874 flat angles C4'-P-C4' energy: -57.100 flat angles P-C4'-P energy: -34.884 tors. eta vs tors. theta energy: -46.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -592.186014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.186014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.186014 (E_RNA) where: Base-Base interactions energy: -369.989 where: short stacking energy: -184.994 Base-Backbone interact. energy: 0.280 local terms energy: -222.476699 where: bonds (distance) C4'-P energy: -53.847 bonds (distance) P-C4' energy: -45.008 flat angles C4'-P-C4' energy: -51.977 flat angles P-C4'-P energy: -39.425 tors. eta vs tors. theta energy: -32.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -421.465649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.465649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.465649 (E_RNA) where: Base-Base interactions energy: -213.757 where: short stacking energy: -126.031 Base-Backbone interact. energy: -0.256 local terms energy: -207.453055 where: bonds (distance) C4'-P energy: -57.275 bonds (distance) P-C4' energy: -56.640 flat angles C4'-P-C4' energy: -51.476 flat angles P-C4'-P energy: -23.626 tors. eta vs tors. theta energy: -18.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1202.986747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.986747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.986747 (E_RNA) where: Base-Base interactions energy: -856.062 where: short stacking energy: -357.675 Base-Backbone interact. energy: -0.010 local terms energy: -346.914441 where: bonds (distance) C4'-P energy: -63.238 bonds (distance) P-C4' energy: -63.104 flat angles C4'-P-C4' energy: -73.833 flat angles P-C4'-P energy: -49.748 tors. eta vs tors. theta energy: -96.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1172.963255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.963255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.963255 (E_RNA) where: Base-Base interactions energy: -825.449 where: short stacking energy: -354.622 Base-Backbone interact. energy: 1.281 local terms energy: -348.795116 where: bonds (distance) C4'-P energy: -55.927 bonds (distance) P-C4' energy: -63.901 flat angles C4'-P-C4' energy: -73.619 flat angles P-C4'-P energy: -50.342 tors. eta vs tors. theta energy: -105.006 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: 6 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1075.513103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.513103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.513103 (E_RNA) where: Base-Base interactions energy: -751.179 where: short stacking energy: -323.152 Base-Backbone interact. energy: -2.306 local terms energy: -322.027771 where: bonds (distance) C4'-P energy: -56.141 bonds (distance) P-C4' energy: -57.559 flat angles C4'-P-C4' energy: -73.521 flat angles P-C4'-P energy: -49.689 tors. eta vs tors. theta energy: -85.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1013.098278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.098278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.098278 (E_RNA) where: Base-Base interactions energy: -721.101 where: short stacking energy: -275.690 Base-Backbone interact. energy: -0.962 local terms energy: -291.035026 where: bonds (distance) C4'-P energy: -49.627 bonds (distance) P-C4' energy: -54.890 flat angles C4'-P-C4' energy: -67.379 flat angles P-C4'-P energy: -53.330 tors. eta vs tors. theta energy: -65.809 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: 5 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -962.551025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.551025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.551025 (E_RNA) where: Base-Base interactions energy: -664.253 where: short stacking energy: -278.594 Base-Backbone interact. energy: -2.220 local terms energy: -296.077904 where: bonds (distance) C4'-P energy: -70.586 bonds (distance) P-C4' energy: -56.654 flat angles C4'-P-C4' energy: -61.803 flat angles P-C4'-P energy: -36.967 tors. eta vs tors. theta energy: -70.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -906.195224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.195224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.195224 (E_RNA) where: Base-Base interactions energy: -628.925 where: short stacking energy: -291.483 Base-Backbone interact. energy: -0.406 local terms energy: -276.864063 where: bonds (distance) C4'-P energy: -39.855 bonds (distance) P-C4' energy: -55.134 flat angles C4'-P-C4' energy: -66.909 flat angles P-C4'-P energy: -38.626 tors. eta vs tors. theta energy: -76.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -774.753441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.753441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.753441 (E_RNA) where: Base-Base interactions energy: -513.061 where: short stacking energy: -232.603 Base-Backbone interact. energy: -4.055 local terms energy: -257.637300 where: bonds (distance) C4'-P energy: -53.676 bonds (distance) P-C4' energy: -58.190 flat angles C4'-P-C4' energy: -59.927 flat angles P-C4'-P energy: -36.785 tors. eta vs tors. theta energy: -49.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -788.092536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.092536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.092536 (E_RNA) where: Base-Base interactions energy: -522.953 where: short stacking energy: -217.965 Base-Backbone interact. energy: -1.524 local terms energy: -263.614882 where: bonds (distance) C4'-P energy: -51.040 bonds (distance) P-C4' energy: -52.038 flat angles C4'-P-C4' energy: -64.988 flat angles P-C4'-P energy: -45.450 tors. eta vs tors. theta energy: -50.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -584.189706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.189706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.189706 (E_RNA) where: Base-Base interactions energy: -363.622 where: short stacking energy: -161.255 Base-Backbone interact. energy: -0.909 local terms energy: -219.658537 where: bonds (distance) C4'-P energy: -53.084 bonds (distance) P-C4' energy: -65.358 flat angles C4'-P-C4' energy: -61.209 flat angles P-C4'-P energy: -21.854 tors. eta vs tors. theta energy: -18.153 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: 2 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -382.737178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.737178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.737178 (E_RNA) where: Base-Base interactions energy: -190.570 where: short stacking energy: -113.875 Base-Backbone interact. energy: -1.063 local terms energy: -191.103707 where: bonds (distance) C4'-P energy: -57.342 bonds (distance) P-C4' energy: -57.041 flat angles C4'-P-C4' energy: -62.309 flat angles P-C4'-P energy: -11.685 tors. eta vs tors. theta energy: -2.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1195.008709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.008709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.008709 (E_RNA) where: Base-Base interactions energy: -852.269 where: short stacking energy: -357.642 Base-Backbone interact. energy: -2.170 local terms energy: -340.570211 where: bonds (distance) C4'-P energy: -53.469 bonds (distance) P-C4' energy: -61.286 flat angles C4'-P-C4' energy: -75.007 flat angles P-C4'-P energy: -56.663 tors. eta vs tors. theta energy: -94.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1138.114543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.114543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.114543 (E_RNA) where: Base-Base interactions energy: -793.674 where: short stacking energy: -353.844 Base-Backbone interact. energy: -0.901 local terms energy: -343.539639 where: bonds (distance) C4'-P energy: -56.634 bonds (distance) P-C4' energy: -55.384 flat angles C4'-P-C4' energy: -74.456 flat angles P-C4'-P energy: -49.890 tors. eta vs tors. theta energy: -107.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1098.325614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.325614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.325614 (E_RNA) where: Base-Base interactions energy: -780.261 where: short stacking energy: -324.891 Base-Backbone interact. energy: -1.644 local terms energy: -316.421116 where: bonds (distance) C4'-P energy: -49.532 bonds (distance) P-C4' energy: -61.506 flat angles C4'-P-C4' energy: -65.033 flat angles P-C4'-P energy: -51.210 tors. eta vs tors. theta energy: -89.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1012.025712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.025712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.025712 (E_RNA) where: Base-Base interactions energy: -708.701 where: short stacking energy: -284.529 Base-Backbone interact. energy: -2.091 local terms energy: -301.233799 where: bonds (distance) C4'-P energy: -51.360 bonds (distance) P-C4' energy: -64.481 flat angles C4'-P-C4' energy: -68.364 flat angles P-C4'-P energy: -50.251 tors. eta vs tors. theta energy: -66.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1010.746898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.746898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.746898 (E_RNA) where: Base-Base interactions energy: -691.962 where: short stacking energy: -299.973 Base-Backbone interact. energy: -1.441 local terms energy: -317.343235 where: bonds (distance) C4'-P energy: -66.443 bonds (distance) P-C4' energy: -64.654 flat angles C4'-P-C4' energy: -69.990 flat angles P-C4'-P energy: -45.664 tors. eta vs tors. theta energy: -70.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -910.738494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.738494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.738494 (E_RNA) where: Base-Base interactions energy: -622.560 where: short stacking energy: -256.393 Base-Backbone interact. energy: -1.064 local terms energy: -287.114544 where: bonds (distance) C4'-P energy: -51.392 bonds (distance) P-C4' energy: -55.515 flat angles C4'-P-C4' energy: -70.067 flat angles P-C4'-P energy: -44.758 tors. eta vs tors. theta energy: -65.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -816.213304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.213304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.213304 (E_RNA) where: Base-Base interactions energy: -554.492 where: short stacking energy: -237.168 Base-Backbone interact. energy: -2.047 local terms energy: -259.673610 where: bonds (distance) C4'-P energy: -59.860 bonds (distance) P-C4' energy: -56.191 flat angles C4'-P-C4' energy: -54.635 flat angles P-C4'-P energy: -37.630 tors. eta vs tors. theta energy: -51.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -776.237782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.237782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.237782 (E_RNA) where: Base-Base interactions energy: -534.057 where: short stacking energy: -228.113 Base-Backbone interact. energy: 0.578 local terms energy: -242.759505 where: bonds (distance) C4'-P energy: -59.903 bonds (distance) P-C4' energy: -37.521 flat angles C4'-P-C4' energy: -62.423 flat angles P-C4'-P energy: -37.430 tors. eta vs tors. theta energy: -45.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -584.756733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.756733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.756733 (E_RNA) where: Base-Base interactions energy: -375.172 where: short stacking energy: -171.085 Base-Backbone interact. energy: -1.331 local terms energy: -208.254115 where: bonds (distance) C4'-P energy: -57.320 bonds (distance) P-C4' energy: -48.616 flat angles C4'-P-C4' energy: -45.585 flat angles P-C4'-P energy: -29.253 tors. eta vs tors. theta energy: -27.480 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: 10, replica: 2 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -391.531293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.531293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.531293 (E_RNA) where: Base-Base interactions energy: -226.284 where: short stacking energy: -108.193 Base-Backbone interact. energy: -0.987 local terms energy: -164.260635 where: bonds (distance) C4'-P energy: -54.185 bonds (distance) P-C4' energy: -40.786 flat angles C4'-P-C4' energy: -36.535 flat angles P-C4'-P energy: -27.650 tors. eta vs tors. theta energy: -5.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1198.835975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.835975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.835975 (E_RNA) where: Base-Base interactions energy: -845.052 where: short stacking energy: -356.052 Base-Backbone interact. energy: -1.703 local terms energy: -352.081440 where: bonds (distance) C4'-P energy: -63.264 bonds (distance) P-C4' energy: -68.655 flat angles C4'-P-C4' energy: -70.053 flat angles P-C4'-P energy: -50.159 tors. eta vs tors. theta energy: -99.951 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: 183 Temperature: 0.950000 Total energy: -1144.239517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.239517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.239517 (E_RNA) where: Base-Base interactions energy: -807.883 where: short stacking energy: -350.428 Base-Backbone interact. energy: 1.095 local terms energy: -337.451326 where: bonds (distance) C4'-P energy: -60.507 bonds (distance) P-C4' energy: -60.733 flat angles C4'-P-C4' energy: -62.505 flat angles P-C4'-P energy: -51.428 tors. eta vs tors. theta energy: -102.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1069.873807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.873807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.873807 (E_RNA) where: Base-Base interactions energy: -750.651 where: short stacking energy: -320.800 Base-Backbone interact. energy: -2.141 local terms energy: -317.081949 where: bonds (distance) C4'-P energy: -54.233 bonds (distance) P-C4' energy: -61.416 flat angles C4'-P-C4' energy: -68.179 flat angles P-C4'-P energy: -38.758 tors. eta vs tors. theta energy: -94.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1016.609484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.609484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.609484 (E_RNA) where: Base-Base interactions energy: -714.239 where: short stacking energy: -315.843 Base-Backbone interact. energy: -2.882 local terms energy: -299.488523 where: bonds (distance) C4'-P energy: -49.803 bonds (distance) P-C4' energy: -54.068 flat angles C4'-P-C4' energy: -67.043 flat angles P-C4'-P energy: -50.151 tors. eta vs tors. theta energy: -78.423 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: 5, replica: 5 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -952.184394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.184394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.184394 (E_RNA) where: Base-Base interactions energy: -659.070 where: short stacking energy: -280.587 Base-Backbone interact. energy: -0.144 local terms energy: -292.969962 where: bonds (distance) C4'-P energy: -61.598 bonds (distance) P-C4' energy: -53.367 flat angles C4'-P-C4' energy: -67.529 flat angles P-C4'-P energy: -34.820 tors. eta vs tors. theta energy: -75.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -899.822537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.822537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.822537 (E_RNA) where: Base-Base interactions energy: -617.478 where: short stacking energy: -259.224 Base-Backbone interact. energy: 1.228 local terms energy: -283.572513 where: bonds (distance) C4'-P energy: -59.091 bonds (distance) P-C4' energy: -71.221 flat angles C4'-P-C4' energy: -57.958 flat angles P-C4'-P energy: -35.975 tors. eta vs tors. theta energy: -59.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -774.932584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.932584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.932584 (E_RNA) where: Base-Base interactions energy: -519.329 where: short stacking energy: -225.289 Base-Backbone interact. energy: -0.206 local terms energy: -255.397860 where: bonds (distance) C4'-P energy: -64.104 bonds (distance) P-C4' energy: -50.333 flat angles C4'-P-C4' energy: -60.187 flat angles P-C4'-P energy: -32.911 tors. eta vs tors. theta energy: -47.863 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: 183 Temperature: 1.250000 Total energy: -792.963831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.963831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.963831 (E_RNA) where: Base-Base interactions energy: -529.817 where: short stacking energy: -259.012 Base-Backbone interact. energy: 0.117 local terms energy: -263.263495 where: bonds (distance) C4'-P energy: -43.134 bonds (distance) P-C4' energy: -51.403 flat angles C4'-P-C4' energy: -67.605 flat angles P-C4'-P energy: -42.846 tors. eta vs tors. theta energy: -58.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -674.272385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.272385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.272385 (E_RNA) where: Base-Base interactions energy: -432.409 where: short stacking energy: -198.181 Base-Backbone interact. energy: -0.416 local terms energy: -241.448015 where: bonds (distance) C4'-P energy: -54.617 bonds (distance) P-C4' energy: -42.665 flat angles C4'-P-C4' energy: -62.791 flat angles P-C4'-P energy: -39.154 tors. eta vs tors. theta energy: -42.222 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: 2 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -372.491927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.491927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.491927 (E_RNA) where: Base-Base interactions energy: -206.346 where: short stacking energy: -131.546 Base-Backbone interact. energy: 0.102 local terms energy: -166.247180 where: bonds (distance) C4'-P energy: -45.248 bonds (distance) P-C4' energy: -51.911 flat angles C4'-P-C4' energy: -30.480 flat angles P-C4'-P energy: -29.463 tors. eta vs tors. theta energy: -9.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1196.647161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.647161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.647161 (E_RNA) where: Base-Base interactions energy: -844.010 where: short stacking energy: -372.223 Base-Backbone interact. energy: -0.808 local terms energy: -351.829269 where: bonds (distance) C4'-P energy: -59.207 bonds (distance) P-C4' energy: -65.019 flat angles C4'-P-C4' energy: -76.140 flat angles P-C4'-P energy: -52.547 tors. eta vs tors. theta energy: -98.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1153.538888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.538888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.538888 (E_RNA) where: Base-Base interactions energy: -803.051 where: short stacking energy: -334.652 Base-Backbone interact. energy: -0.570 local terms energy: -349.917707 where: bonds (distance) C4'-P energy: -70.831 bonds (distance) P-C4' energy: -60.056 flat angles C4'-P-C4' energy: -70.159 flat angles P-C4'-P energy: -46.954 tors. eta vs tors. theta energy: -101.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1042.465093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.465093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.465093 (E_RNA) where: Base-Base interactions energy: -729.075 where: short stacking energy: -304.461 Base-Backbone interact. energy: -3.124 local terms energy: -310.265640 where: bonds (distance) C4'-P energy: -64.492 bonds (distance) P-C4' energy: -58.334 flat angles C4'-P-C4' energy: -72.949 flat angles P-C4'-P energy: -34.954 tors. eta vs tors. theta energy: -79.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1065.254656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.254656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.254656 (E_RNA) where: Base-Base interactions energy: -728.509 where: short stacking energy: -302.579 Base-Backbone interact. energy: -0.470 local terms energy: -336.275646 where: bonds (distance) C4'-P energy: -72.350 bonds (distance) P-C4' energy: -67.531 flat angles C4'-P-C4' energy: -70.470 flat angles P-C4'-P energy: -43.825 tors. eta vs tors. theta energy: -82.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -988.142963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.142963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.142963 (E_RNA) where: Base-Base interactions energy: -676.384 where: short stacking energy: -311.066 Base-Backbone interact. energy: 0.339 local terms energy: -312.097943 where: bonds (distance) C4'-P energy: -54.101 bonds (distance) P-C4' energy: -55.740 flat angles C4'-P-C4' energy: -66.402 flat angles P-C4'-P energy: -57.636 tors. eta vs tors. theta energy: -78.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -889.332380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.332380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.332380 (E_RNA) where: Base-Base interactions energy: -610.914 where: short stacking energy: -270.422 Base-Backbone interact. energy: -1.043 local terms energy: -277.375568 where: bonds (distance) C4'-P energy: -50.733 bonds (distance) P-C4' energy: -55.199 flat angles C4'-P-C4' energy: -70.741 flat angles P-C4'-P energy: -34.994 tors. eta vs tors. theta energy: -65.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -827.734601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.734601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.734601 (E_RNA) where: Base-Base interactions energy: -559.545 where: short stacking energy: -234.778 Base-Backbone interact. energy: 0.435 local terms energy: -268.624426 where: bonds (distance) C4'-P energy: -42.212 bonds (distance) P-C4' energy: -64.045 flat angles C4'-P-C4' energy: -62.613 flat angles P-C4'-P energy: -42.325 tors. eta vs tors. theta energy: -57.429 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: 9 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -762.138387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.138387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.138387 (E_RNA) where: Base-Base interactions energy: -508.847 where: short stacking energy: -232.578 Base-Backbone interact. energy: -2.527 local terms energy: -250.764842 where: bonds (distance) C4'-P energy: -40.656 bonds (distance) P-C4' energy: -61.157 flat angles C4'-P-C4' energy: -62.902 flat angles P-C4'-P energy: -35.720 tors. eta vs tors. theta energy: -50.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -632.507692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.507692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.507692 (E_RNA) where: Base-Base interactions energy: -410.617 where: short stacking energy: -184.269 Base-Backbone interact. energy: -2.093 local terms energy: -219.797776 where: bonds (distance) C4'-P energy: -51.708 bonds (distance) P-C4' energy: -56.264 flat angles C4'-P-C4' energy: -43.084 flat angles P-C4'-P energy: -36.327 tors. eta vs tors. theta energy: -32.415 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: 2 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -380.646152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.646152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.646152 (E_RNA) where: Base-Base interactions energy: -210.297 where: short stacking energy: -111.540 Base-Backbone interact. energy: -1.865 local terms energy: -168.484686 where: bonds (distance) C4'-P energy: -59.859 bonds (distance) P-C4' energy: -47.649 flat angles C4'-P-C4' energy: -37.570 flat angles P-C4'-P energy: -22.027 tors. eta vs tors. theta energy: -1.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1210.015345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.015345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.015345 (E_RNA) where: Base-Base interactions energy: -842.100 where: short stacking energy: -363.770 Base-Backbone interact. energy: -2.053 local terms energy: -365.862178 where: bonds (distance) C4'-P energy: -60.030 bonds (distance) P-C4' energy: -73.407 flat angles C4'-P-C4' energy: -75.807 flat angles P-C4'-P energy: -54.712 tors. eta vs tors. theta energy: -101.906 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: 185 Temperature: 0.950000 Total energy: -1154.123384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.123384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.123384 (E_RNA) where: Base-Base interactions energy: -801.120 where: short stacking energy: -355.264 Base-Backbone interact. energy: -0.575 local terms energy: -352.428058 where: bonds (distance) C4'-P energy: -61.884 bonds (distance) P-C4' energy: -63.374 flat angles C4'-P-C4' energy: -72.768 flat angles P-C4'-P energy: -46.532 tors. eta vs tors. theta energy: -107.870 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: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1046.784968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.784968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.784968 (E_RNA) where: Base-Base interactions energy: -736.969 where: short stacking energy: -303.569 Base-Backbone interact. energy: -2.651 local terms energy: -307.165270 where: bonds (distance) C4'-P energy: -60.026 bonds (distance) P-C4' energy: -57.312 flat angles C4'-P-C4' energy: -67.731 flat angles P-C4'-P energy: -53.847 tors. eta vs tors. theta energy: -68.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1042.291869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.291869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.291869 (E_RNA) where: Base-Base interactions energy: -721.089 where: short stacking energy: -288.679 Base-Backbone interact. energy: -2.744 local terms energy: -318.459095 where: bonds (distance) C4'-P energy: -66.957 bonds (distance) P-C4' energy: -48.581 flat angles C4'-P-C4' energy: -63.365 flat angles P-C4'-P energy: -53.658 tors. eta vs tors. theta energy: -85.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -930.643401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.643401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.643401 (E_RNA) where: Base-Base interactions energy: -631.392 where: short stacking energy: -292.579 Base-Backbone interact. energy: -0.433 local terms energy: -298.818092 where: bonds (distance) C4'-P energy: -56.345 bonds (distance) P-C4' energy: -64.083 flat angles C4'-P-C4' energy: -57.328 flat angles P-C4'-P energy: -45.198 tors. eta vs tors. theta energy: -75.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -927.253526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.253526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.253526 (E_RNA) where: Base-Base interactions energy: -645.805 where: short stacking energy: -287.563 Base-Backbone interact. energy: -0.466 local terms energy: -280.983187 where: bonds (distance) C4'-P energy: -46.671 bonds (distance) P-C4' energy: -52.403 flat angles C4'-P-C4' energy: -71.466 flat angles P-C4'-P energy: -39.234 tors. eta vs tors. theta energy: -71.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -795.207276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.207276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.207276 (E_RNA) where: Base-Base interactions energy: -544.384 where: short stacking energy: -225.056 Base-Backbone interact. energy: -3.453 local terms energy: -247.371130 where: bonds (distance) C4'-P energy: -45.308 bonds (distance) P-C4' energy: -60.129 flat angles C4'-P-C4' energy: -61.201 flat angles P-C4'-P energy: -35.422 tors. eta vs tors. theta energy: -45.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -815.068753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.068753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.068753 (E_RNA) where: Base-Base interactions energy: -582.294 where: short stacking energy: -260.800 Base-Backbone interact. energy: -1.300 local terms energy: -231.474789 where: bonds (distance) C4'-P energy: -44.324 bonds (distance) P-C4' energy: -50.736 flat angles C4'-P-C4' energy: -51.881 flat angles P-C4'-P energy: -28.517 tors. eta vs tors. theta energy: -56.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -688.014283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.014283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.014283 (E_RNA) where: Base-Base interactions energy: -431.395 where: short stacking energy: -189.651 Base-Backbone interact. energy: -0.383 local terms energy: -256.236483 where: bonds (distance) C4'-P energy: -64.001 bonds (distance) P-C4' energy: -61.603 flat angles C4'-P-C4' energy: -55.026 flat angles P-C4'-P energy: -33.618 tors. eta vs tors. theta energy: -41.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -404.456664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.456664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.456664 (E_RNA) where: Base-Base interactions energy: -219.146 where: short stacking energy: -116.732 Base-Backbone interact. energy: -0.363 local terms energy: -184.947282 where: bonds (distance) C4'-P energy: -46.195 bonds (distance) P-C4' energy: -51.909 flat angles C4'-P-C4' energy: -59.055 flat angles P-C4'-P energy: -27.344 tors. eta vs tors. theta energy: -0.445 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: 10 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1216.923893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.923893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.923893 (E_RNA) where: Base-Base interactions energy: -855.498 where: short stacking energy: -371.640 Base-Backbone interact. energy: -1.217 local terms energy: -360.209343 where: bonds (distance) C4'-P energy: -60.971 bonds (distance) P-C4' energy: -69.881 flat angles C4'-P-C4' energy: -74.213 flat angles P-C4'-P energy: -50.437 tors. eta vs tors. theta energy: -104.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1153.167483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.167483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.167483 (E_RNA) where: Base-Base interactions energy: -792.545 where: short stacking energy: -351.259 Base-Backbone interact. energy: -0.925 local terms energy: -359.697637 where: bonds (distance) C4'-P energy: -63.378 bonds (distance) P-C4' energy: -65.334 flat angles C4'-P-C4' energy: -73.835 flat angles P-C4'-P energy: -52.589 tors. eta vs tors. theta energy: -104.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1059.088066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.088066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.088066 (E_RNA) where: Base-Base interactions energy: -738.072 where: short stacking energy: -301.251 Base-Backbone interact. energy: -4.727 local terms energy: -316.288755 where: bonds (distance) C4'-P energy: -63.696 bonds (distance) P-C4' energy: -48.278 flat angles C4'-P-C4' energy: -70.794 flat angles P-C4'-P energy: -54.222 tors. eta vs tors. theta energy: -79.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1028.768173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.768173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.768173 (E_RNA) where: Base-Base interactions energy: -707.718 where: short stacking energy: -321.068 Base-Backbone interact. energy: 0.107 local terms energy: -321.156699 where: bonds (distance) C4'-P energy: -60.491 bonds (distance) P-C4' energy: -54.065 flat angles C4'-P-C4' energy: -65.905 flat angles P-C4'-P energy: -49.078 tors. eta vs tors. theta energy: -91.618 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: 5 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -954.313771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.313771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.313771 (E_RNA) where: Base-Base interactions energy: -639.397 where: short stacking energy: -291.695 Base-Backbone interact. energy: -1.594 local terms energy: -313.323249 where: bonds (distance) C4'-P energy: -60.844 bonds (distance) P-C4' energy: -57.679 flat angles C4'-P-C4' energy: -63.420 flat angles P-C4'-P energy: -45.588 tors. eta vs tors. theta energy: -85.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -909.723570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.723570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.723570 (E_RNA) where: Base-Base interactions energy: -623.804 where: short stacking energy: -259.568 Base-Backbone interact. energy: -1.448 local terms energy: -284.471255 where: bonds (distance) C4'-P energy: -54.937 bonds (distance) P-C4' energy: -56.886 flat angles C4'-P-C4' energy: -70.021 flat angles P-C4'-P energy: -36.731 tors. eta vs tors. theta energy: -65.896 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: 9 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -830.385803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.385803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.385803 (E_RNA) where: Base-Base interactions energy: -568.902 where: short stacking energy: -260.271 Base-Backbone interact. energy: -2.274 local terms energy: -259.209156 where: bonds (distance) C4'-P energy: -48.988 bonds (distance) P-C4' energy: -46.825 flat angles C4'-P-C4' energy: -60.652 flat angles P-C4'-P energy: -40.493 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: 8, replica: 8 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -814.479973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.479973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.479973 (E_RNA) where: Base-Base interactions energy: -560.999 where: short stacking energy: -238.868 Base-Backbone interact. energy: -1.935 local terms energy: -251.545970 where: bonds (distance) C4'-P energy: -57.405 bonds (distance) P-C4' energy: -58.327 flat angles C4'-P-C4' energy: -52.362 flat angles P-C4'-P energy: -33.786 tors. eta vs tors. theta energy: -49.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -613.802729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.802729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.802729 (E_RNA) where: Base-Base interactions energy: -395.977 where: short stacking energy: -176.555 Base-Backbone interact. energy: 0.073 local terms energy: -217.898676 where: bonds (distance) C4'-P energy: -44.501 bonds (distance) P-C4' energy: -52.045 flat angles C4'-P-C4' energy: -52.877 flat angles P-C4'-P energy: -38.113 tors. eta vs tors. theta energy: -30.364 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: 2 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -396.953231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.953231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.953231 (E_RNA) where: Base-Base interactions energy: -202.731 where: short stacking energy: -116.554 Base-Backbone interact. energy: -0.905 local terms energy: -193.317356 where: bonds (distance) C4'-P energy: -52.787 bonds (distance) P-C4' energy: -57.953 flat angles C4'-P-C4' energy: -47.944 flat angles P-C4'-P energy: -18.087 tors. eta vs tors. theta energy: -16.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1211.063318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.063318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.063318 (E_RNA) where: Base-Base interactions energy: -849.127 where: short stacking energy: -362.981 Base-Backbone interact. energy: -1.225 local terms energy: -360.711113 where: bonds (distance) C4'-P energy: -64.207 bonds (distance) P-C4' energy: -61.919 flat angles C4'-P-C4' energy: -74.800 flat angles P-C4'-P energy: -55.003 tors. eta vs tors. theta energy: -104.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1151.281433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.281433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.281433 (E_RNA) where: Base-Base interactions energy: -798.177 where: short stacking energy: -340.915 Base-Backbone interact. energy: -1.100 local terms energy: -352.004721 where: bonds (distance) C4'-P energy: -61.654 bonds (distance) P-C4' energy: -65.921 flat angles C4'-P-C4' energy: -78.998 flat angles P-C4'-P energy: -46.778 tors. eta vs tors. theta energy: -98.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1050.284635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.284635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.284635 (E_RNA) where: Base-Base interactions energy: -741.548 where: short stacking energy: -303.315 Base-Backbone interact. energy: -1.903 local terms energy: -306.833320 where: bonds (distance) C4'-P energy: -52.439 bonds (distance) P-C4' energy: -66.303 flat angles C4'-P-C4' energy: -74.240 flat angles P-C4'-P energy: -46.659 tors. eta vs tors. theta energy: -67.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -999.936082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.936082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.936082 (E_RNA) where: Base-Base interactions energy: -698.873 where: short stacking energy: -296.177 Base-Backbone interact. energy: -2.158 local terms energy: -298.904952 where: bonds (distance) C4'-P energy: -60.944 bonds (distance) P-C4' energy: -55.164 flat angles C4'-P-C4' energy: -60.609 flat angles P-C4'-P energy: -40.733 tors. eta vs tors. theta energy: -81.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -950.493005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.493005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.493005 (E_RNA) where: Base-Base interactions energy: -657.970 where: short stacking energy: -288.150 Base-Backbone interact. energy: -0.749 local terms energy: -291.774213 where: bonds (distance) C4'-P energy: -55.432 bonds (distance) P-C4' energy: -60.700 flat angles C4'-P-C4' energy: -65.818 flat angles P-C4'-P energy: -42.142 tors. eta vs tors. theta energy: -67.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -909.300573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.300573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.300573 (E_RNA) where: Base-Base interactions energy: -639.294 where: short stacking energy: -270.555 Base-Backbone interact. energy: 1.099 local terms energy: -271.105586 where: bonds (distance) C4'-P energy: -45.808 bonds (distance) P-C4' energy: -59.924 flat angles C4'-P-C4' energy: -59.498 flat angles P-C4'-P energy: -36.006 tors. eta vs tors. theta energy: -69.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -835.215553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.215553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.215553 (E_RNA) where: Base-Base interactions energy: -557.706 where: short stacking energy: -267.926 Base-Backbone interact. energy: -0.314 local terms energy: -277.195829 where: bonds (distance) C4'-P energy: -48.149 bonds (distance) P-C4' energy: -59.020 flat angles C4'-P-C4' energy: -64.988 flat angles P-C4'-P energy: -41.612 tors. eta vs tors. theta energy: -63.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -782.435881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.435881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.435881 (E_RNA) where: Base-Base interactions energy: -531.861 where: short stacking energy: -225.113 Base-Backbone interact. energy: -2.757 local terms energy: -247.818662 where: bonds (distance) C4'-P energy: -51.835 bonds (distance) P-C4' energy: -51.278 flat angles C4'-P-C4' energy: -56.401 flat angles P-C4'-P energy: -36.962 tors. eta vs tors. theta energy: -51.343 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: 187 Temperature: 1.300000 Total energy: -591.101901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.101901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.101901 (E_RNA) where: Base-Base interactions energy: -367.878 where: short stacking energy: -177.117 Base-Backbone interact. energy: 1.794 local terms energy: -225.018250 where: bonds (distance) C4'-P energy: -38.899 bonds (distance) P-C4' energy: -55.380 flat angles C4'-P-C4' energy: -51.052 flat angles P-C4'-P energy: -44.150 tors. eta vs tors. theta energy: -35.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -378.083631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.083631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.083631 (E_RNA) where: Base-Base interactions energy: -189.506 where: short stacking energy: -114.716 Base-Backbone interact. energy: 1.400 local terms energy: -189.978495 where: bonds (distance) C4'-P energy: -57.534 bonds (distance) P-C4' energy: -57.031 flat angles C4'-P-C4' energy: -42.907 flat angles P-C4'-P energy: -27.505 tors. eta vs tors. theta energy: -5.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1204.349174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.349174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.349174 (E_RNA) where: Base-Base interactions energy: -853.589 where: short stacking energy: -375.975 Base-Backbone interact. energy: 0.556 local terms energy: -351.316799 where: bonds (distance) C4'-P energy: -62.144 bonds (distance) P-C4' energy: -58.326 flat angles C4'-P-C4' energy: -73.781 flat angles P-C4'-P energy: -55.781 tors. eta vs tors. theta energy: -101.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1165.988954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.988954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.988954 (E_RNA) where: Base-Base interactions energy: -802.571 where: short stacking energy: -365.046 Base-Backbone interact. energy: -1.035 local terms energy: -362.382274 where: bonds (distance) C4'-P energy: -72.605 bonds (distance) P-C4' energy: -65.548 flat angles C4'-P-C4' energy: -75.533 flat angles P-C4'-P energy: -45.869 tors. eta vs tors. theta energy: -102.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1055.547332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.547332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.547332 (E_RNA) where: Base-Base interactions energy: -729.864 where: short stacking energy: -308.818 Base-Backbone interact. energy: -1.272 local terms energy: -324.410662 where: bonds (distance) C4'-P energy: -55.967 bonds (distance) P-C4' energy: -73.018 flat angles C4'-P-C4' energy: -70.643 flat angles P-C4'-P energy: -49.820 tors. eta vs tors. theta energy: -74.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1036.904757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.904757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.904757 (E_RNA) where: Base-Base interactions energy: -717.061 where: short stacking energy: -302.636 Base-Backbone interact. energy: -3.472 local terms energy: -316.371914 where: bonds (distance) C4'-P energy: -62.438 bonds (distance) P-C4' energy: -62.074 flat angles C4'-P-C4' energy: -63.519 flat angles P-C4'-P energy: -39.685 tors. eta vs tors. theta energy: -88.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -959.021181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.021181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.021181 (E_RNA) where: Base-Base interactions energy: -674.412 where: short stacking energy: -269.554 Base-Backbone interact. energy: -1.843 local terms energy: -282.766130 where: bonds (distance) C4'-P energy: -56.874 bonds (distance) P-C4' energy: -57.701 flat angles C4'-P-C4' energy: -62.409 flat angles P-C4'-P energy: -43.360 tors. eta vs tors. theta energy: -62.422 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: 5 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -908.801681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.801681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.801681 (E_RNA) where: Base-Base interactions energy: -617.613 where: short stacking energy: -263.874 Base-Backbone interact. energy: -1.527 local terms energy: -289.662115 where: bonds (distance) C4'-P energy: -52.438 bonds (distance) P-C4' energy: -62.374 flat angles C4'-P-C4' energy: -66.454 flat angles P-C4'-P energy: -45.824 tors. eta vs tors. theta energy: -62.571 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: 7, replica: 9 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -811.033481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.033481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.033481 (E_RNA) where: Base-Base interactions energy: -557.524 where: short stacking energy: -248.870 Base-Backbone interact. energy: -1.308 local terms energy: -252.201164 where: bonds (distance) C4'-P energy: -53.162 bonds (distance) P-C4' energy: -54.390 flat angles C4'-P-C4' energy: -62.439 flat angles P-C4'-P energy: -34.937 tors. eta vs tors. theta energy: -47.272 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: 8 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -800.289637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.289637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.289637 (E_RNA) where: Base-Base interactions energy: -561.106 where: short stacking energy: -258.404 Base-Backbone interact. energy: -1.330 local terms energy: -237.853597 where: bonds (distance) C4'-P energy: -44.612 bonds (distance) P-C4' energy: -48.017 flat angles C4'-P-C4' energy: -55.737 flat angles P-C4'-P energy: -31.659 tors. eta vs tors. theta energy: -57.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -597.263728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.263728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.263728 (E_RNA) where: Base-Base interactions energy: -378.407 where: short stacking energy: -187.158 Base-Backbone interact. energy: -0.383 local terms energy: -218.473855 where: bonds (distance) C4'-P energy: -43.462 bonds (distance) P-C4' energy: -59.067 flat angles C4'-P-C4' energy: -51.410 flat angles P-C4'-P energy: -38.587 tors. eta vs tors. theta energy: -25.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -387.228566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.228566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.228566 (E_RNA) where: Base-Base interactions energy: -205.705 where: short stacking energy: -136.138 Base-Backbone interact. energy: -0.061 local terms energy: -181.462608 where: bonds (distance) C4'-P energy: -56.239 bonds (distance) P-C4' energy: -55.271 flat angles C4'-P-C4' energy: -39.330 flat angles P-C4'-P energy: -22.209 tors. eta vs tors. theta energy: -8.413 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: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1204.088444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.088444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.088444 (E_RNA) where: Base-Base interactions energy: -849.435 where: short stacking energy: -367.712 Base-Backbone interact. energy: -2.119 local terms energy: -352.533548 where: bonds (distance) C4'-P energy: -67.758 bonds (distance) P-C4' energy: -63.099 flat angles C4'-P-C4' energy: -72.930 flat angles P-C4'-P energy: -44.738 tors. eta vs tors. theta energy: -104.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1152.975772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.975772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.975772 (E_RNA) where: Base-Base interactions energy: -788.901 where: short stacking energy: -354.751 Base-Backbone interact. energy: -1.335 local terms energy: -362.739743 where: bonds (distance) C4'-P energy: -59.758 bonds (distance) P-C4' energy: -68.618 flat angles C4'-P-C4' energy: -73.656 flat angles P-C4'-P energy: -51.410 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: 3, replica: 1 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1050.800616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.800616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.800616 (E_RNA) where: Base-Base interactions energy: -742.231 where: short stacking energy: -297.907 Base-Backbone interact. energy: 0.143 local terms energy: -308.712181 where: bonds (distance) C4'-P energy: -62.004 bonds (distance) P-C4' energy: -58.112 flat angles C4'-P-C4' energy: -63.551 flat angles P-C4'-P energy: -52.242 tors. eta vs tors. theta energy: -72.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1026.989160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.989160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.989160 (E_RNA) where: Base-Base interactions energy: -711.900 where: short stacking energy: -311.339 Base-Backbone interact. energy: -3.133 local terms energy: -311.955617 where: bonds (distance) C4'-P energy: -59.830 bonds (distance) P-C4' energy: -58.666 flat angles C4'-P-C4' energy: -66.159 flat angles P-C4'-P energy: -40.144 tors. eta vs tors. theta energy: -87.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -946.169388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.169388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.169388 (E_RNA) where: Base-Base interactions energy: -658.947 where: short stacking energy: -286.535 Base-Backbone interact. energy: -1.319 local terms energy: -285.904096 where: bonds (distance) C4'-P energy: -57.176 bonds (distance) P-C4' energy: -55.021 flat angles C4'-P-C4' energy: -64.580 flat angles P-C4'-P energy: -45.587 tors. eta vs tors. theta energy: -63.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -929.897878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.897878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.897878 (E_RNA) where: Base-Base interactions energy: -654.355 where: short stacking energy: -298.838 Base-Backbone interact. energy: -0.616 local terms energy: -274.926448 where: bonds (distance) C4'-P energy: -52.052 bonds (distance) P-C4' energy: -61.695 flat angles C4'-P-C4' energy: -52.009 flat angles P-C4'-P energy: -44.127 tors. eta vs tors. theta energy: -65.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -763.980593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.980593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.980593 (E_RNA) where: Base-Base interactions energy: -516.721 where: short stacking energy: -229.589 Base-Backbone interact. energy: -3.791 local terms energy: -243.468091 where: bonds (distance) C4'-P energy: -46.653 bonds (distance) P-C4' energy: -64.745 flat angles C4'-P-C4' energy: -54.930 flat angles P-C4'-P energy: -30.408 tors. eta vs tors. theta energy: -46.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -765.381550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.381550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.381550 (E_RNA) where: Base-Base interactions energy: -506.851 where: short stacking energy: -228.349 Base-Backbone interact. energy: -1.949 local terms energy: -256.581509 where: bonds (distance) C4'-P energy: -42.915 bonds (distance) P-C4' energy: -61.553 flat angles C4'-P-C4' energy: -63.952 flat angles P-C4'-P energy: -32.679 tors. eta vs tors. theta energy: -55.484 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: 189 Temperature: 1.300000 Total energy: -628.452139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.452139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.452139 (E_RNA) where: Base-Base interactions energy: -404.537 where: short stacking energy: -196.048 Base-Backbone interact. energy: 0.737 local terms energy: -224.651400 where: bonds (distance) C4'-P energy: -51.855 bonds (distance) P-C4' energy: -50.228 flat angles C4'-P-C4' energy: -54.824 flat angles P-C4'-P energy: -28.122 tors. eta vs tors. theta energy: -39.621 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: 10, replica: 2 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -381.702111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.702111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.702111 (E_RNA) where: Base-Base interactions energy: -212.758 where: short stacking energy: -138.322 Base-Backbone interact. energy: 0.678 local terms energy: -169.622034 where: bonds (distance) C4'-P energy: -48.700 bonds (distance) P-C4' energy: -44.434 flat angles C4'-P-C4' energy: -36.380 flat angles P-C4'-P energy: -28.606 tors. eta vs tors. theta energy: -11.501 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: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1200.165527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.165527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.165527 (E_RNA) where: Base-Base interactions energy: -844.704 where: short stacking energy: -362.144 Base-Backbone interact. energy: -1.004 local terms energy: -354.457871 where: bonds (distance) C4'-P energy: -57.469 bonds (distance) P-C4' energy: -61.771 flat angles C4'-P-C4' energy: -83.413 flat angles P-C4'-P energy: -52.494 tors. eta vs tors. theta energy: -99.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1155.601355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.601355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.601355 (E_RNA) where: Base-Base interactions energy: -804.384 where: short stacking energy: -360.582 Base-Backbone interact. energy: -0.710 local terms energy: -350.507348 where: bonds (distance) C4'-P energy: -56.345 bonds (distance) P-C4' energy: -69.531 flat angles C4'-P-C4' energy: -75.696 flat angles P-C4'-P energy: -45.706 tors. eta vs tors. theta energy: -103.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1066.280088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.280088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.280088 (E_RNA) where: Base-Base interactions energy: -759.490 where: short stacking energy: -299.792 Base-Backbone interact. energy: -1.553 local terms energy: -305.236906 where: bonds (distance) C4'-P energy: -58.342 bonds (distance) P-C4' energy: -69.483 flat angles C4'-P-C4' energy: -65.130 flat angles P-C4'-P energy: -43.373 tors. eta vs tors. theta energy: -68.910 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: 4, replica: 6 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -996.794545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.794545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.794545 (E_RNA) where: Base-Base interactions energy: -700.461 where: short stacking energy: -283.715 Base-Backbone interact. energy: -0.091 local terms energy: -296.242560 where: bonds (distance) C4'-P energy: -49.151 bonds (distance) P-C4' energy: -60.724 flat angles C4'-P-C4' energy: -65.584 flat angles P-C4'-P energy: -46.315 tors. eta vs tors. theta energy: -74.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -955.177995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.177995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.177995 (E_RNA) where: Base-Base interactions energy: -657.909 where: short stacking energy: -300.992 Base-Backbone interact. energy: -0.593 local terms energy: -296.675604 where: bonds (distance) C4'-P energy: -57.424 bonds (distance) P-C4' energy: -54.610 flat angles C4'-P-C4' energy: -54.160 flat angles P-C4'-P energy: -42.818 tors. eta vs tors. theta energy: -87.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -902.957373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.957373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.957373 (E_RNA) where: Base-Base interactions energy: -644.585 where: short stacking energy: -286.151 Base-Backbone interact. energy: -0.471 local terms energy: -257.901469 where: bonds (distance) C4'-P energy: -44.045 bonds (distance) P-C4' energy: -55.690 flat angles C4'-P-C4' energy: -62.186 flat angles P-C4'-P energy: -33.805 tors. eta vs tors. theta energy: -62.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -806.481818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.481818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.481818 (E_RNA) where: Base-Base interactions energy: -561.430 where: short stacking energy: -247.597 Base-Backbone interact. energy: -0.737 local terms energy: -244.314775 where: bonds (distance) C4'-P energy: -49.084 bonds (distance) P-C4' energy: -50.112 flat angles C4'-P-C4' energy: -54.870 flat angles P-C4'-P energy: -42.207 tors. eta vs tors. theta energy: -48.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -720.375866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.375866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.375866 (E_RNA) where: Base-Base interactions energy: -483.279 where: short stacking energy: -209.412 Base-Backbone interact. energy: -1.948 local terms energy: -235.149084 where: bonds (distance) C4'-P energy: -58.776 bonds (distance) P-C4' energy: -58.734 flat angles C4'-P-C4' energy: -53.187 flat angles P-C4'-P energy: -28.702 tors. eta vs tors. theta energy: -35.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -675.610393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.610393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.610393 (E_RNA) where: Base-Base interactions energy: -411.878 where: short stacking energy: -192.662 Base-Backbone interact. energy: -0.499 local terms energy: -263.233815 where: bonds (distance) C4'-P energy: -53.086 bonds (distance) P-C4' energy: -64.217 flat angles C4'-P-C4' energy: -61.186 flat angles P-C4'-P energy: -38.605 tors. eta vs tors. theta energy: -46.140 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: 2 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -447.879547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.879547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.879547 (E_RNA) where: Base-Base interactions energy: -270.634 where: short stacking energy: -141.245 Base-Backbone interact. energy: 0.997 local terms energy: -178.242281 where: bonds (distance) C4'-P energy: -44.795 bonds (distance) P-C4' energy: -51.338 flat angles C4'-P-C4' energy: -43.905 flat angles P-C4'-P energy: -32.633 tors. eta vs tors. theta energy: -5.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1210.497628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.497628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.497628 (E_RNA) where: Base-Base interactions energy: -845.743 where: short stacking energy: -362.976 Base-Backbone interact. energy: -1.061 local terms energy: -363.693473 where: bonds (distance) C4'-P energy: -63.331 bonds (distance) P-C4' energy: -64.016 flat angles C4'-P-C4' energy: -80.597 flat angles P-C4'-P energy: -51.090 tors. eta vs tors. theta energy: -104.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1158.026622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.026622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.026622 (E_RNA) where: Base-Base interactions energy: -795.967 where: short stacking energy: -353.076 Base-Backbone interact. energy: 0.074 local terms energy: -362.133494 where: bonds (distance) C4'-P energy: -60.081 bonds (distance) P-C4' energy: -68.625 flat angles C4'-P-C4' energy: -71.511 flat angles P-C4'-P energy: -56.828 tors. eta vs tors. theta energy: -105.088 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: 1 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1059.268746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.268746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.268746 (E_RNA) where: Base-Base interactions energy: -761.722 where: short stacking energy: -312.953 Base-Backbone interact. energy: -2.857 local terms energy: -294.690041 where: bonds (distance) C4'-P energy: -48.997 bonds (distance) P-C4' energy: -63.967 flat angles C4'-P-C4' energy: -62.716 flat angles P-C4'-P energy: -40.387 tors. eta vs tors. theta energy: -78.624 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: 6 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -989.427453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.427453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.427453 (E_RNA) where: Base-Base interactions energy: -695.452 where: short stacking energy: -290.780 Base-Backbone interact. energy: -2.446 local terms energy: -291.529552 where: bonds (distance) C4'-P energy: -49.693 bonds (distance) P-C4' energy: -61.709 flat angles C4'-P-C4' energy: -68.184 flat angles P-C4'-P energy: -39.161 tors. eta vs tors. theta energy: -72.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -956.915567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.915567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.915567 (E_RNA) where: Base-Base interactions energy: -661.298 where: short stacking energy: -293.850 Base-Backbone interact. energy: 0.304 local terms energy: -295.921414 where: bonds (distance) C4'-P energy: -64.676 bonds (distance) P-C4' energy: -64.915 flat angles C4'-P-C4' energy: -57.135 flat angles P-C4'-P energy: -25.484 tors. eta vs tors. theta energy: -83.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -895.083541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.083541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.083541 (E_RNA) where: Base-Base interactions energy: -604.450 where: short stacking energy: -268.233 Base-Backbone interact. energy: -0.120 local terms energy: -290.512821 where: bonds (distance) C4'-P energy: -53.668 bonds (distance) P-C4' energy: -61.196 flat angles C4'-P-C4' energy: -70.726 flat angles P-C4'-P energy: -45.051 tors. eta vs tors. theta energy: -59.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -838.356038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.356038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.356038 (E_RNA) where: Base-Base interactions energy: -560.432 where: short stacking energy: -264.535 Base-Backbone interact. energy: -1.273 local terms energy: -276.650878 where: bonds (distance) C4'-P energy: -52.795 bonds (distance) P-C4' energy: -59.992 flat angles C4'-P-C4' energy: -60.914 flat angles P-C4'-P energy: -42.900 tors. eta vs tors. theta energy: -60.049 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: 3 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -619.322282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.322282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.322282 (E_RNA) where: Base-Base interactions energy: -377.192 where: short stacking energy: -181.455 Base-Backbone interact. energy: 0.863 local terms energy: -242.993250 where: bonds (distance) C4'-P energy: -56.660 bonds (distance) P-C4' energy: -62.343 flat angles C4'-P-C4' energy: -44.955 flat angles P-C4'-P energy: -43.325 tors. eta vs tors. theta energy: -35.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -682.076218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.076218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.076218 (E_RNA) where: Base-Base interactions energy: -457.456 where: short stacking energy: -200.247 Base-Backbone interact. energy: 1.950 local terms energy: -226.569796 where: bonds (distance) C4'-P energy: -45.576 bonds (distance) P-C4' energy: -57.184 flat angles C4'-P-C4' energy: -43.191 flat angles P-C4'-P energy: -36.403 tors. eta vs tors. theta energy: -44.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -432.156471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.156471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.156471 (E_RNA) where: Base-Base interactions energy: -267.417 where: short stacking energy: -137.512 Base-Backbone interact. energy: -0.633 local terms energy: -164.106364 where: bonds (distance) C4'-P energy: -36.067 bonds (distance) P-C4' energy: -46.467 flat angles C4'-P-C4' energy: -50.303 flat angles P-C4'-P energy: -19.413 tors. eta vs tors. theta energy: -11.857 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: 10 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1201.542535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.542535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.542535 (E_RNA) where: Base-Base interactions energy: -844.742 where: short stacking energy: -362.749 Base-Backbone interact. energy: -1.054 local terms energy: -355.746449 where: bonds (distance) C4'-P energy: -61.657 bonds (distance) P-C4' energy: -72.519 flat angles C4'-P-C4' energy: -71.494 flat angles P-C4'-P energy: -49.690 tors. eta vs tors. theta energy: -100.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1146.048052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.048052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.048052 (E_RNA) where: Base-Base interactions energy: -802.988 where: short stacking energy: -349.772 Base-Backbone interact. energy: -0.742 local terms energy: -342.318474 where: bonds (distance) C4'-P energy: -64.251 bonds (distance) P-C4' energy: -56.319 flat angles C4'-P-C4' energy: -72.222 flat angles P-C4'-P energy: -45.007 tors. eta vs tors. theta energy: -104.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1078.073976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.073976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.073976 (E_RNA) where: Base-Base interactions energy: -767.701 where: short stacking energy: -315.344 Base-Backbone interact. energy: -1.598 local terms energy: -308.775537 where: bonds (distance) C4'-P energy: -65.820 bonds (distance) P-C4' energy: -57.831 flat angles C4'-P-C4' energy: -71.182 flat angles P-C4'-P energy: -37.717 tors. eta vs tors. theta energy: -76.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -999.621424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.621424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.621424 (E_RNA) where: Base-Base interactions energy: -686.539 where: short stacking energy: -304.473 Base-Backbone interact. energy: -2.095 local terms energy: -310.987630 where: bonds (distance) C4'-P energy: -53.382 bonds (distance) P-C4' energy: -65.739 flat angles C4'-P-C4' energy: -64.646 flat angles P-C4'-P energy: -47.102 tors. eta vs tors. theta energy: -80.118 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: 5 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -971.239941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.239941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.239941 (E_RNA) where: Base-Base interactions energy: -644.485 where: short stacking energy: -309.420 Base-Backbone interact. energy: -2.354 local terms energy: -324.401347 where: bonds (distance) C4'-P energy: -64.471 bonds (distance) P-C4' energy: -54.872 flat angles C4'-P-C4' energy: -74.978 flat angles P-C4'-P energy: -44.262 tors. eta vs tors. theta energy: -85.818 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: 7 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -887.741457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.741457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.741457 (E_RNA) where: Base-Base interactions energy: -614.932 where: short stacking energy: -270.226 Base-Backbone interact. energy: -1.380 local terms energy: -271.429475 where: bonds (distance) C4'-P energy: -53.540 bonds (distance) P-C4' energy: -62.214 flat angles C4'-P-C4' energy: -50.071 flat angles P-C4'-P energy: -42.227 tors. eta vs tors. theta energy: -63.378 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: 8 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -834.258900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.258900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.258900 (E_RNA) where: Base-Base interactions energy: -564.386 where: short stacking energy: -250.300 Base-Backbone interact. energy: -0.642 local terms energy: -269.230922 where: bonds (distance) C4'-P energy: -50.261 bonds (distance) P-C4' energy: -56.977 flat angles C4'-P-C4' energy: -65.415 flat angles P-C4'-P energy: -38.729 tors. eta vs tors. theta energy: -57.849 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: 192 Temperature: 1.250000 Total energy: -642.524598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.524598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.524598 (E_RNA) where: Base-Base interactions energy: -402.967 where: short stacking energy: -196.038 Base-Backbone interact. energy: -1.151 local terms energy: -238.406133 where: bonds (distance) C4'-P energy: -50.866 bonds (distance) P-C4' energy: -64.547 flat angles C4'-P-C4' energy: -53.292 flat angles P-C4'-P energy: -33.409 tors. eta vs tors. theta energy: -36.292 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: 192 Temperature: 1.300000 Total energy: -686.743121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.743121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.743121 (E_RNA) where: Base-Base interactions energy: -468.589 where: short stacking energy: -201.012 Base-Backbone interact. energy: -2.057 local terms energy: -216.097078 where: bonds (distance) C4'-P energy: -50.890 bonds (distance) P-C4' energy: -54.228 flat angles C4'-P-C4' energy: -40.683 flat angles P-C4'-P energy: -29.808 tors. eta vs tors. theta energy: -40.489 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: 2 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -400.075063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.075063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.075063 (E_RNA) where: Base-Base interactions energy: -246.085 where: short stacking energy: -126.101 Base-Backbone interact. energy: -0.670 local terms energy: -153.319296 where: bonds (distance) C4'-P energy: -45.108 bonds (distance) P-C4' energy: -45.387 flat angles C4'-P-C4' energy: -43.881 flat angles P-C4'-P energy: -16.768 tors. eta vs tors. theta energy: -2.175 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: 10 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1198.781543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.781543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.781543 (E_RNA) where: Base-Base interactions energy: -849.009 where: short stacking energy: -364.261 Base-Backbone interact. energy: 2.251 local terms energy: -352.023959 where: bonds (distance) C4'-P energy: -57.758 bonds (distance) P-C4' energy: -63.769 flat angles C4'-P-C4' energy: -75.832 flat angles P-C4'-P energy: -53.569 tors. eta vs tors. theta energy: -101.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1160.324443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.324443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.324443 (E_RNA) where: Base-Base interactions energy: -799.996 where: short stacking energy: -347.170 Base-Backbone interact. energy: -1.960 local terms energy: -358.368159 where: bonds (distance) C4'-P energy: -61.069 bonds (distance) P-C4' energy: -68.200 flat angles C4'-P-C4' energy: -69.000 flat angles P-C4'-P energy: -50.135 tors. eta vs tors. theta energy: -109.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1064.952982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.952982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.952982 (E_RNA) where: Base-Base interactions energy: -753.191 where: short stacking energy: -306.646 Base-Backbone interact. energy: -1.068 local terms energy: -310.694089 where: bonds (distance) C4'-P energy: -56.314 bonds (distance) P-C4' energy: -64.757 flat angles C4'-P-C4' energy: -69.566 flat angles P-C4'-P energy: -40.076 tors. eta vs tors. theta energy: -79.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -960.831040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.831040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.831040 (E_RNA) where: Base-Base interactions energy: -632.142 where: short stacking energy: -303.611 Base-Backbone interact. energy: 0.276 local terms energy: -328.965131 where: bonds (distance) C4'-P energy: -57.215 bonds (distance) P-C4' energy: -70.189 flat angles C4'-P-C4' energy: -72.728 flat angles P-C4'-P energy: -46.843 tors. eta vs tors. theta energy: -81.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -963.611795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.611795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.611795 (E_RNA) where: Base-Base interactions energy: -655.235 where: short stacking energy: -282.810 Base-Backbone interact. energy: -2.067 local terms energy: -306.309460 where: bonds (distance) C4'-P energy: -54.063 bonds (distance) P-C4' energy: -69.417 flat angles C4'-P-C4' energy: -71.715 flat angles P-C4'-P energy: -42.056 tors. eta vs tors. theta energy: -69.059 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: 7 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -900.408029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.408029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.408029 (E_RNA) where: Base-Base interactions energy: -618.849 where: short stacking energy: -281.416 Base-Backbone interact. energy: -3.023 local terms energy: -278.535216 where: bonds (distance) C4'-P energy: -50.000 bonds (distance) P-C4' energy: -61.316 flat angles C4'-P-C4' energy: -64.057 flat angles P-C4'-P energy: -42.752 tors. eta vs tors. theta energy: -60.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -826.561030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.561030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.561030 (E_RNA) where: Base-Base interactions energy: -559.284 where: short stacking energy: -231.718 Base-Backbone interact. energy: 0.196 local terms energy: -267.472821 where: bonds (distance) C4'-P energy: -54.964 bonds (distance) P-C4' energy: -51.366 flat angles C4'-P-C4' energy: -66.490 flat angles P-C4'-P energy: -36.434 tors. eta vs tors. theta energy: -58.219 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: 9 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -743.559811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.559811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.559811 (E_RNA) where: Base-Base interactions energy: -504.386 where: short stacking energy: -216.192 Base-Backbone interact. energy: 0.735 local terms energy: -239.908745 where: bonds (distance) C4'-P energy: -61.552 bonds (distance) P-C4' energy: -56.566 flat angles C4'-P-C4' energy: -51.694 flat angles P-C4'-P energy: -31.024 tors. eta vs tors. theta energy: -39.072 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: 3 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -625.682244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.682244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.682244 (E_RNA) where: Base-Base interactions energy: -396.449 where: short stacking energy: -192.019 Base-Backbone interact. energy: -0.911 local terms energy: -228.322167 where: bonds (distance) C4'-P energy: -41.978 bonds (distance) P-C4' energy: -50.753 flat angles C4'-P-C4' energy: -55.881 flat angles P-C4'-P energy: -40.282 tors. eta vs tors. theta energy: -39.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -427.624885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.624885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.624885 (E_RNA) where: Base-Base interactions energy: -246.755 where: short stacking energy: -126.743 Base-Backbone interact. energy: -0.101 local terms energy: -180.768679 where: bonds (distance) C4'-P energy: -46.127 bonds (distance) P-C4' energy: -47.799 flat angles C4'-P-C4' energy: -39.237 flat angles P-C4'-P energy: -35.810 tors. eta vs tors. theta energy: -11.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1204.421872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.421872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.421872 (E_RNA) where: Base-Base interactions energy: -846.308 where: short stacking energy: -356.335 Base-Backbone interact. energy: -2.687 local terms energy: -355.426674 where: bonds (distance) C4'-P energy: -65.226 bonds (distance) P-C4' energy: -69.035 flat angles C4'-P-C4' energy: -73.864 flat angles P-C4'-P energy: -48.657 tors. eta vs tors. theta energy: -98.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1169.903324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.903324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.903324 (E_RNA) where: Base-Base interactions energy: -817.439 where: short stacking energy: -365.444 Base-Backbone interact. energy: 0.132 local terms energy: -352.596157 where: bonds (distance) C4'-P energy: -62.052 bonds (distance) P-C4' energy: -57.636 flat angles C4'-P-C4' energy: -73.534 flat angles P-C4'-P energy: -48.603 tors. eta vs tors. theta energy: -110.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1055.097872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.097872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.097872 (E_RNA) where: Base-Base interactions energy: -751.608 where: short stacking energy: -295.597 Base-Backbone interact. energy: -2.662 local terms energy: -300.828647 where: bonds (distance) C4'-P energy: -57.557 bonds (distance) P-C4' energy: -64.348 flat angles C4'-P-C4' energy: -68.523 flat angles P-C4'-P energy: -44.681 tors. eta vs tors. theta energy: -65.720 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: 4, replica: 5 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -979.150808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.150808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.150808 (E_RNA) where: Base-Base interactions energy: -657.800 where: short stacking energy: -291.254 Base-Backbone interact. energy: -0.591 local terms energy: -320.759972 where: bonds (distance) C4'-P energy: -65.615 bonds (distance) P-C4' energy: -63.069 flat angles C4'-P-C4' energy: -63.077 flat angles P-C4'-P energy: -49.113 tors. eta vs tors. theta energy: -79.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -962.924693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.924693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.924693 (E_RNA) where: Base-Base interactions energy: -665.462 where: short stacking energy: -293.554 Base-Backbone interact. energy: 3.991 local terms energy: -301.453375 where: bonds (distance) C4'-P energy: -57.255 bonds (distance) P-C4' energy: -56.711 flat angles C4'-P-C4' energy: -70.815 flat angles P-C4'-P energy: -46.583 tors. eta vs tors. theta energy: -70.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -899.728033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.728033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.728033 (E_RNA) where: Base-Base interactions energy: -608.866 where: short stacking energy: -258.347 Base-Backbone interact. energy: 1.165 local terms energy: -292.026302 where: bonds (distance) C4'-P energy: -44.635 bonds (distance) P-C4' energy: -62.944 flat angles C4'-P-C4' energy: -72.493 flat angles P-C4'-P energy: -41.207 tors. eta vs tors. theta energy: -70.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -853.696501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.696501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.696501 (E_RNA) where: Base-Base interactions energy: -555.919 where: short stacking energy: -251.603 Base-Backbone interact. energy: -1.017 local terms energy: -296.761033 where: bonds (distance) C4'-P energy: -64.530 bonds (distance) P-C4' energy: -67.716 flat angles C4'-P-C4' energy: -61.719 flat angles P-C4'-P energy: -39.790 tors. eta vs tors. theta energy: -63.007 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: 9 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -781.027492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.027492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.027492 (E_RNA) where: Base-Base interactions energy: -521.713 where: short stacking energy: -229.095 Base-Backbone interact. energy: -1.870 local terms energy: -257.444544 where: bonds (distance) C4'-P energy: -44.557 bonds (distance) P-C4' energy: -59.428 flat angles C4'-P-C4' energy: -64.178 flat angles P-C4'-P energy: -38.377 tors. eta vs tors. theta energy: -50.905 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: 9, replica: 3 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -642.769202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.769202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.769202 (E_RNA) where: Base-Base interactions energy: -412.868 where: short stacking energy: -188.350 Base-Backbone interact. energy: 1.217 local terms energy: -231.118097 where: bonds (distance) C4'-P energy: -46.952 bonds (distance) P-C4' energy: -55.429 flat angles C4'-P-C4' energy: -58.096 flat angles P-C4'-P energy: -37.038 tors. eta vs tors. theta energy: -33.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -459.334451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.334451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.334451 (E_RNA) where: Base-Base interactions energy: -264.933 where: short stacking energy: -122.863 Base-Backbone interact. energy: -0.654 local terms energy: -193.746881 where: bonds (distance) C4'-P energy: -44.056 bonds (distance) P-C4' energy: -61.786 flat angles C4'-P-C4' energy: -47.427 flat angles P-C4'-P energy: -27.892 tors. eta vs tors. theta energy: -12.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1194.910500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.910500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.910500 (E_RNA) where: Base-Base interactions energy: -849.641 where: short stacking energy: -378.028 Base-Backbone interact. energy: -0.753 local terms energy: -344.516621 where: bonds (distance) C4'-P energy: -60.980 bonds (distance) P-C4' energy: -56.320 flat angles C4'-P-C4' energy: -68.473 flat angles P-C4'-P energy: -59.494 tors. eta vs tors. theta energy: -99.248 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: 4 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1163.276496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.276496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.276496 (E_RNA) where: Base-Base interactions energy: -808.934 where: short stacking energy: -361.896 Base-Backbone interact. energy: -1.493 local terms energy: -352.849267 where: bonds (distance) C4'-P energy: -47.107 bonds (distance) P-C4' energy: -61.388 flat angles C4'-P-C4' energy: -77.340 flat angles P-C4'-P energy: -52.499 tors. eta vs tors. theta energy: -114.515 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: 1 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1067.788511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.788511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.788511 (E_RNA) where: Base-Base interactions energy: -754.132 where: short stacking energy: -287.658 Base-Backbone interact. energy: -2.012 local terms energy: -311.643859 where: bonds (distance) C4'-P energy: -62.112 bonds (distance) P-C4' energy: -67.093 flat angles C4'-P-C4' energy: -65.361 flat angles P-C4'-P energy: -44.916 tors. eta vs tors. theta energy: -72.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -986.295057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.295057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.295057 (E_RNA) where: Base-Base interactions energy: -673.212 where: short stacking energy: -307.148 Base-Backbone interact. energy: 0.047 local terms energy: -313.129864 where: bonds (distance) C4'-P energy: -61.437 bonds (distance) P-C4' energy: -61.811 flat angles C4'-P-C4' energy: -68.589 flat angles P-C4'-P energy: -47.466 tors. eta vs tors. theta energy: -73.826 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: 7 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -960.635123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.635123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.635123 (E_RNA) where: Base-Base interactions energy: -661.073 where: short stacking energy: -283.252 Base-Backbone interact. energy: -0.184 local terms energy: -299.378166 where: bonds (distance) C4'-P energy: -50.034 bonds (distance) P-C4' energy: -55.849 flat angles C4'-P-C4' energy: -68.213 flat angles P-C4'-P energy: -52.893 tors. eta vs tors. theta energy: -72.390 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: 6 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -884.711123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.711123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.711123 (E_RNA) where: Base-Base interactions energy: -613.073 where: short stacking energy: -258.901 Base-Backbone interact. energy: -1.746 local terms energy: -269.892559 where: bonds (distance) C4'-P energy: -51.395 bonds (distance) P-C4' energy: -52.201 flat angles C4'-P-C4' energy: -62.519 flat angles P-C4'-P energy: -41.788 tors. eta vs tors. theta energy: -61.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -866.400946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.400946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.400946 (E_RNA) where: Base-Base interactions energy: -575.634 where: short stacking energy: -257.072 Base-Backbone interact. energy: -0.880 local terms energy: -289.887581 where: bonds (distance) C4'-P energy: -55.540 bonds (distance) P-C4' energy: -62.909 flat angles C4'-P-C4' energy: -66.767 flat angles P-C4'-P energy: -35.882 tors. eta vs tors. theta energy: -68.789 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: 195 Temperature: 1.250000 Total energy: -733.793254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.793254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.793254 (E_RNA) where: Base-Base interactions energy: -489.176 where: short stacking energy: -213.286 Base-Backbone interact. energy: -1.090 local terms energy: -243.526809 where: bonds (distance) C4'-P energy: -52.048 bonds (distance) P-C4' energy: -55.980 flat angles C4'-P-C4' energy: -59.108 flat angles P-C4'-P energy: -31.848 tors. eta vs tors. theta energy: -44.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -619.199579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.199579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.199579 (E_RNA) where: Base-Base interactions energy: -401.917 where: short stacking energy: -180.088 Base-Backbone interact. energy: -1.191 local terms energy: -216.091004 where: bonds (distance) C4'-P energy: -62.209 bonds (distance) P-C4' energy: -49.182 flat angles C4'-P-C4' energy: -41.763 flat angles P-C4'-P energy: -32.467 tors. eta vs tors. theta energy: -30.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -530.855315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.855315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.855315 (E_RNA) where: Base-Base interactions energy: -330.294 where: short stacking energy: -176.345 Base-Backbone interact. energy: 2.208 local terms energy: -202.769213 where: bonds (distance) C4'-P energy: -44.558 bonds (distance) P-C4' energy: -57.836 flat angles C4'-P-C4' energy: -37.029 flat angles P-C4'-P energy: -29.562 tors. eta vs tors. theta energy: -33.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1193.546248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.546248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.546248 (E_RNA) where: Base-Base interactions energy: -841.583 where: short stacking energy: -363.419 Base-Backbone interact. energy: -2.844 local terms energy: -349.118793 where: bonds (distance) C4'-P energy: -55.692 bonds (distance) P-C4' energy: -72.132 flat angles C4'-P-C4' energy: -73.591 flat angles P-C4'-P energy: -49.194 tors. eta vs tors. theta energy: -98.511 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: 196 Temperature: 0.950000 Total energy: -1169.612210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.612210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.612210 (E_RNA) where: Base-Base interactions energy: -816.279 where: short stacking energy: -360.611 Base-Backbone interact. energy: -1.195 local terms energy: -352.138856 where: bonds (distance) C4'-P energy: -62.405 bonds (distance) P-C4' energy: -73.061 flat angles C4'-P-C4' energy: -67.152 flat angles P-C4'-P energy: -40.998 tors. eta vs tors. theta energy: -108.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1077.664866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.664866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.664866 (E_RNA) where: Base-Base interactions energy: -778.690 where: short stacking energy: -292.650 Base-Backbone interact. energy: -1.273 local terms energy: -297.701180 where: bonds (distance) C4'-P energy: -61.673 bonds (distance) P-C4' energy: -52.660 flat angles C4'-P-C4' energy: -58.862 flat angles P-C4'-P energy: -42.977 tors. eta vs tors. theta energy: -81.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -965.205138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.205138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.205138 (E_RNA) where: Base-Base interactions energy: -670.323 where: short stacking energy: -297.536 Base-Backbone interact. energy: 1.616 local terms energy: -296.498334 where: bonds (distance) C4'-P energy: -61.445 bonds (distance) P-C4' energy: -61.712 flat angles C4'-P-C4' energy: -71.270 flat angles P-C4'-P energy: -33.356 tors. eta vs tors. theta energy: -68.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -968.788065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.788065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.788065 (E_RNA) where: Base-Base interactions energy: -684.856 where: short stacking energy: -301.639 Base-Backbone interact. energy: -1.464 local terms energy: -282.468717 where: bonds (distance) C4'-P energy: -55.705 bonds (distance) P-C4' energy: -47.425 flat angles C4'-P-C4' energy: -63.487 flat angles P-C4'-P energy: -38.828 tors. eta vs tors. theta energy: -77.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -863.573947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.573947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.573947 (E_RNA) where: Base-Base interactions energy: -569.228 where: short stacking energy: -249.852 Base-Backbone interact. energy: -1.705 local terms energy: -292.640793 where: bonds (distance) C4'-P energy: -64.001 bonds (distance) P-C4' energy: -65.946 flat angles C4'-P-C4' energy: -58.471 flat angles P-C4'-P energy: -38.593 tors. eta vs tors. theta energy: -65.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -837.095691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.095691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.095691 (E_RNA) where: Base-Base interactions energy: -578.260 where: short stacking energy: -258.071 Base-Backbone interact. energy: -0.753 local terms energy: -258.082818 where: bonds (distance) C4'-P energy: -58.695 bonds (distance) P-C4' energy: -45.306 flat angles C4'-P-C4' energy: -57.376 flat angles P-C4'-P energy: -35.992 tors. eta vs tors. theta energy: -60.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -764.795063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.795063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.795063 (E_RNA) where: Base-Base interactions energy: -512.574 where: short stacking energy: -207.999 Base-Backbone interact. energy: 1.018 local terms energy: -253.239157 where: bonds (distance) C4'-P energy: -58.927 bonds (distance) P-C4' energy: -48.746 flat angles C4'-P-C4' energy: -54.149 flat angles P-C4'-P energy: -39.155 tors. eta vs tors. theta energy: -52.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -597.523878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.523878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.523878 (E_RNA) where: Base-Base interactions energy: -388.335 where: short stacking energy: -186.058 Base-Backbone interact. energy: -0.543 local terms energy: -208.646063 where: bonds (distance) C4'-P energy: -49.766 bonds (distance) P-C4' energy: -54.068 flat angles C4'-P-C4' energy: -53.713 flat angles P-C4'-P energy: -22.140 tors. eta vs tors. theta energy: -28.959 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: 2 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -491.550076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.550076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.550076 (E_RNA) where: Base-Base interactions energy: -311.349 where: short stacking energy: -160.093 Base-Backbone interact. energy: -2.499 local terms energy: -177.701612 where: bonds (distance) C4'-P energy: -53.132 bonds (distance) P-C4' energy: -42.605 flat angles C4'-P-C4' energy: -40.092 flat angles P-C4'-P energy: -28.879 tors. eta vs tors. theta energy: -12.992 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: 10 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1205.146926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.146926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.146926 (E_RNA) where: Base-Base interactions energy: -858.228 where: short stacking energy: -366.689 Base-Backbone interact. energy: -2.431 local terms energy: -344.487315 where: bonds (distance) C4'-P energy: -57.731 bonds (distance) P-C4' energy: -68.521 flat angles C4'-P-C4' energy: -74.865 flat angles P-C4'-P energy: -47.756 tors. eta vs tors. theta energy: -95.614 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: 4 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1160.988979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.988979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.988979 (E_RNA) where: Base-Base interactions energy: -804.465 where: short stacking energy: -338.944 Base-Backbone interact. energy: -1.976 local terms energy: -354.547847 where: bonds (distance) C4'-P energy: -65.538 bonds (distance) P-C4' energy: -68.820 flat angles C4'-P-C4' energy: -74.033 flat angles P-C4'-P energy: -47.652 tors. eta vs tors. theta energy: -98.505 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: 1 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1093.463809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.463809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.463809 (E_RNA) where: Base-Base interactions energy: -763.151 where: short stacking energy: -308.635 Base-Backbone interact. energy: -2.792 local terms energy: -327.521180 where: bonds (distance) C4'-P energy: -57.612 bonds (distance) P-C4' energy: -64.852 flat angles C4'-P-C4' energy: -69.048 flat angles P-C4'-P energy: -51.077 tors. eta vs tors. theta energy: -84.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1005.768159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.768159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.768159 (E_RNA) where: Base-Base interactions energy: -700.978 where: short stacking energy: -316.917 Base-Backbone interact. energy: -0.167 local terms energy: -304.623486 where: bonds (distance) C4'-P energy: -58.575 bonds (distance) P-C4' energy: -59.280 flat angles C4'-P-C4' energy: -67.824 flat angles P-C4'-P energy: -42.518 tors. eta vs tors. theta energy: -76.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -941.455877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.455877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.455877 (E_RNA) where: Base-Base interactions energy: -635.951 where: short stacking energy: -309.751 Base-Backbone interact. energy: -1.406 local terms energy: -304.098947 where: bonds (distance) C4'-P energy: -53.227 bonds (distance) P-C4' energy: -62.813 flat angles C4'-P-C4' energy: -69.487 flat angles P-C4'-P energy: -44.037 tors. eta vs tors. theta energy: -74.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -856.137007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.137007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.137007 (E_RNA) where: Base-Base interactions energy: -564.982 where: short stacking energy: -248.730 Base-Backbone interact. energy: 0.169 local terms energy: -291.323857 where: bonds (distance) C4'-P energy: -60.830 bonds (distance) P-C4' energy: -58.202 flat angles C4'-P-C4' energy: -60.621 flat angles P-C4'-P energy: -47.820 tors. eta vs tors. theta energy: -63.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -826.470291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.470291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.470291 (E_RNA) where: Base-Base interactions energy: -562.228 where: short stacking energy: -251.789 Base-Backbone interact. energy: -1.178 local terms energy: -263.064495 where: bonds (distance) C4'-P energy: -47.520 bonds (distance) P-C4' energy: -62.188 flat angles C4'-P-C4' energy: -59.568 flat angles P-C4'-P energy: -33.665 tors. eta vs tors. theta energy: -60.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -713.407906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.407906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.407906 (E_RNA) where: Base-Base interactions energy: -466.850 where: short stacking energy: -215.038 Base-Backbone interact. energy: 0.204 local terms energy: -246.761745 where: bonds (distance) C4'-P energy: -61.073 bonds (distance) P-C4' energy: -51.891 flat angles C4'-P-C4' energy: -53.775 flat angles P-C4'-P energy: -42.820 tors. eta vs tors. theta energy: -37.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -613.571867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.571867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.571867 (E_RNA) where: Base-Base interactions energy: -385.841 where: short stacking energy: -193.314 Base-Backbone interact. energy: -0.717 local terms energy: -227.013590 where: bonds (distance) C4'-P energy: -41.778 bonds (distance) P-C4' energy: -56.502 flat angles C4'-P-C4' energy: -53.663 flat angles P-C4'-P energy: -39.270 tors. eta vs tors. theta energy: -35.800 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: 2 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -478.082599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.082599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.082599 (E_RNA) where: Base-Base interactions energy: -292.596 where: short stacking energy: -144.324 Base-Backbone interact. energy: 0.436 local terms energy: -185.922658 where: bonds (distance) C4'-P energy: -43.244 bonds (distance) P-C4' energy: -57.625 flat angles C4'-P-C4' energy: -47.495 flat angles P-C4'-P energy: -25.982 tors. eta vs tors. theta energy: -11.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1193.487036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.487036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.487036 (E_RNA) where: Base-Base interactions energy: -854.531 where: short stacking energy: -374.259 Base-Backbone interact. energy: -3.953 local terms energy: -335.003232 where: bonds (distance) C4'-P energy: -56.521 bonds (distance) P-C4' energy: -69.291 flat angles C4'-P-C4' energy: -68.319 flat angles P-C4'-P energy: -47.233 tors. eta vs tors. theta energy: -93.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1154.694411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.694411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.694411 (E_RNA) where: Base-Base interactions energy: -810.739 where: short stacking energy: -352.938 Base-Backbone interact. energy: -1.308 local terms energy: -342.647835 where: bonds (distance) C4'-P energy: -50.910 bonds (distance) P-C4' energy: -67.814 flat angles C4'-P-C4' energy: -74.546 flat angles P-C4'-P energy: -48.776 tors. eta vs tors. theta energy: -100.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1069.737372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.737372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.737372 (E_RNA) where: Base-Base interactions energy: -746.627 where: short stacking energy: -293.893 Base-Backbone interact. energy: -2.014 local terms energy: -321.096623 where: bonds (distance) C4'-P energy: -55.585 bonds (distance) P-C4' energy: -66.037 flat angles C4'-P-C4' energy: -68.903 flat angles P-C4'-P energy: -52.178 tors. eta vs tors. theta energy: -78.393 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: 7 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1017.034842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.034842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.034842 (E_RNA) where: Base-Base interactions energy: -720.190 where: short stacking energy: -306.815 Base-Backbone interact. energy: 0.096 local terms energy: -296.940680 where: bonds (distance) C4'-P energy: -54.705 bonds (distance) P-C4' energy: -60.295 flat angles C4'-P-C4' energy: -60.482 flat angles P-C4'-P energy: -40.593 tors. eta vs tors. theta energy: -80.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -912.590291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.590291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.590291 (E_RNA) where: Base-Base interactions energy: -630.768 where: short stacking energy: -274.964 Base-Backbone interact. energy: 0.014 local terms energy: -281.835761 where: bonds (distance) C4'-P energy: -50.211 bonds (distance) P-C4' energy: -47.185 flat angles C4'-P-C4' energy: -64.242 flat angles P-C4'-P energy: -49.540 tors. eta vs tors. theta energy: -70.657 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: 6 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -874.897185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.897185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.897185 (E_RNA) where: Base-Base interactions energy: -598.340 where: short stacking energy: -251.894 Base-Backbone interact. energy: -4.190 local terms energy: -272.366493 where: bonds (distance) C4'-P energy: -45.750 bonds (distance) P-C4' energy: -67.847 flat angles C4'-P-C4' energy: -55.183 flat angles P-C4'-P energy: -41.512 tors. eta vs tors. theta energy: -62.074 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: 8 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -835.173498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.173498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.173498 (E_RNA) where: Base-Base interactions energy: -543.052 where: short stacking energy: -255.214 Base-Backbone interact. energy: -1.782 local terms energy: -290.339609 where: bonds (distance) C4'-P energy: -55.956 bonds (distance) P-C4' energy: -64.875 flat angles C4'-P-C4' energy: -68.927 flat angles P-C4'-P energy: -39.702 tors. eta vs tors. theta energy: -60.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -720.864797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.864797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.864797 (E_RNA) where: Base-Base interactions energy: -479.291 where: short stacking energy: -212.650 Base-Backbone interact. energy: -2.233 local terms energy: -239.340984 where: bonds (distance) C4'-P energy: -51.498 bonds (distance) P-C4' energy: -59.818 flat angles C4'-P-C4' energy: -47.421 flat angles P-C4'-P energy: -28.780 tors. eta vs tors. theta energy: -51.824 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: 198 Temperature: 1.300000 Total energy: -594.065654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.065654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.065654 (E_RNA) where: Base-Base interactions energy: -362.696 where: short stacking energy: -183.156 Base-Backbone interact. energy: -0.626 local terms energy: -230.743337 where: bonds (distance) C4'-P energy: -51.003 bonds (distance) P-C4' energy: -54.832 flat angles C4'-P-C4' energy: -60.135 flat angles P-C4'-P energy: -31.012 tors. eta vs tors. theta energy: -33.762 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: 10, replica: 2 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -502.317568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.317568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.317568 (E_RNA) where: Base-Base interactions energy: -322.686 where: short stacking energy: -163.121 Base-Backbone interact. energy: -0.410 local terms energy: -179.221256 where: bonds (distance) C4'-P energy: -41.198 bonds (distance) P-C4' energy: -44.241 flat angles C4'-P-C4' energy: -55.519 flat angles P-C4'-P energy: -22.932 tors. eta vs tors. theta energy: -15.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1199.895956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.895956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.895956 (E_RNA) where: Base-Base interactions energy: -843.796 where: short stacking energy: -363.830 Base-Backbone interact. energy: -2.206 local terms energy: -353.894418 where: bonds (distance) C4'-P energy: -57.805 bonds (distance) P-C4' energy: -72.923 flat angles C4'-P-C4' energy: -69.899 flat angles P-C4'-P energy: -56.562 tors. eta vs tors. theta energy: -96.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1151.291314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.291314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.291314 (E_RNA) where: Base-Base interactions energy: -795.105 where: short stacking energy: -365.921 Base-Backbone interact. energy: -1.482 local terms energy: -354.704719 where: bonds (distance) C4'-P energy: -57.944 bonds (distance) P-C4' energy: -62.946 flat angles C4'-P-C4' energy: -73.633 flat angles P-C4'-P energy: -53.371 tors. eta vs tors. theta energy: -106.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1063.379429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.379429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.379429 (E_RNA) where: Base-Base interactions energy: -757.797 where: short stacking energy: -304.565 Base-Backbone interact. energy: 0.911 local terms energy: -306.493346 where: bonds (distance) C4'-P energy: -56.996 bonds (distance) P-C4' energy: -62.634 flat angles C4'-P-C4' energy: -69.484 flat angles P-C4'-P energy: -39.240 tors. eta vs tors. theta energy: -78.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -945.522748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.522748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.522748 (E_RNA) where: Base-Base interactions energy: -634.422 where: short stacking energy: -295.686 Base-Backbone interact. energy: -4.265 local terms energy: -306.835594 where: bonds (distance) C4'-P energy: -58.249 bonds (distance) P-C4' energy: -61.743 flat angles C4'-P-C4' energy: -66.551 flat angles P-C4'-P energy: -55.390 tors. eta vs tors. theta energy: -64.903 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: 7 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -986.198381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.198381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.198381 (E_RNA) where: Base-Base interactions energy: -691.458 where: short stacking energy: -293.895 Base-Backbone interact. energy: 2.308 local terms energy: -297.048595 where: bonds (distance) C4'-P energy: -58.233 bonds (distance) P-C4' energy: -56.157 flat angles C4'-P-C4' energy: -69.019 flat angles P-C4'-P energy: -34.694 tors. eta vs tors. theta energy: -78.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -934.224687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.224687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.224687 (E_RNA) where: Base-Base interactions energy: -639.024 where: short stacking energy: -276.301 Base-Backbone interact. energy: -1.336 local terms energy: -293.864445 where: bonds (distance) C4'-P energy: -60.200 bonds (distance) P-C4' energy: -54.844 flat angles C4'-P-C4' energy: -65.723 flat angles P-C4'-P energy: -40.631 tors. eta vs tors. theta energy: -72.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -840.839221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.839221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.839221 (E_RNA) where: Base-Base interactions energy: -567.132 where: short stacking energy: -240.825 Base-Backbone interact. energy: -2.191 local terms energy: -271.515574 where: bonds (distance) C4'-P energy: -61.589 bonds (distance) P-C4' energy: -53.725 flat angles C4'-P-C4' energy: -62.300 flat angles P-C4'-P energy: -43.147 tors. eta vs tors. theta energy: -50.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -754.903000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.903000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.903000 (E_RNA) where: Base-Base interactions energy: -494.986 where: short stacking energy: -221.800 Base-Backbone interact. energy: -2.608 local terms energy: -257.308378 where: bonds (distance) C4'-P energy: -53.835 bonds (distance) P-C4' energy: -55.368 flat angles C4'-P-C4' energy: -61.563 flat angles P-C4'-P energy: -34.323 tors. eta vs tors. theta energy: -52.219 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: 199 Temperature: 1.300000 Total energy: -639.649989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.649989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.649989 (E_RNA) where: Base-Base interactions energy: -414.115 where: short stacking energy: -203.833 Base-Backbone interact. energy: -1.529 local terms energy: -224.005859 where: bonds (distance) C4'-P energy: -50.295 bonds (distance) P-C4' energy: -48.945 flat angles C4'-P-C4' energy: -53.966 flat angles P-C4'-P energy: -34.428 tors. eta vs tors. theta energy: -36.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -509.904300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.904300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.904300 (E_RNA) where: Base-Base interactions energy: -298.977 where: short stacking energy: -133.807 Base-Backbone interact. energy: 1.442 local terms energy: -212.369877 where: bonds (distance) C4'-P energy: -62.914 bonds (distance) P-C4' energy: -49.965 flat angles C4'-P-C4' energy: -52.386 flat angles P-C4'-P energy: -37.516 tors. eta vs tors. theta energy: -9.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1205.564323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.564323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.564323 (E_RNA) where: Base-Base interactions energy: -865.453 where: short stacking energy: -356.124 Base-Backbone interact. energy: 1.464 local terms energy: -341.575449 where: bonds (distance) C4'-P energy: -68.003 bonds (distance) P-C4' energy: -55.778 flat angles C4'-P-C4' energy: -74.122 flat angles P-C4'-P energy: -47.035 tors. eta vs tors. theta energy: -96.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1146.026154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.026154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.026154 (E_RNA) where: Base-Base interactions energy: -793.625 where: short stacking energy: -344.400 Base-Backbone interact. energy: -1.286 local terms energy: -351.115584 where: bonds (distance) C4'-P energy: -57.692 bonds (distance) P-C4' energy: -67.202 flat angles C4'-P-C4' energy: -73.348 flat angles P-C4'-P energy: -47.022 tors. eta vs tors. theta energy: -105.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1069.376877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.376877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.376877 (E_RNA) where: Base-Base interactions energy: -754.819 where: short stacking energy: -305.128 Base-Backbone interact. energy: -2.881 local terms energy: -311.676814 where: bonds (distance) C4'-P energy: -59.200 bonds (distance) P-C4' energy: -69.425 flat angles C4'-P-C4' energy: -60.494 flat angles P-C4'-P energy: -46.663 tors. eta vs tors. theta energy: -75.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -972.355401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.355401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.355401 (E_RNA) where: Base-Base interactions energy: -662.249 where: short stacking energy: -307.805 Base-Backbone interact. energy: -0.526 local terms energy: -309.580159 where: bonds (distance) C4'-P energy: -60.207 bonds (distance) P-C4' energy: -63.853 flat angles C4'-P-C4' energy: -63.597 flat angles P-C4'-P energy: -41.944 tors. eta vs tors. theta energy: -79.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -955.732010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.732010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.732010 (E_RNA) where: Base-Base interactions energy: -674.156 where: short stacking energy: -282.091 Base-Backbone interact. energy: -2.083 local terms energy: -279.492480 where: bonds (distance) C4'-P energy: -60.990 bonds (distance) P-C4' energy: -49.819 flat angles C4'-P-C4' energy: -56.332 flat angles P-C4'-P energy: -42.323 tors. eta vs tors. theta energy: -70.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -943.178405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.178405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.178405 (E_RNA) where: Base-Base interactions energy: -642.971 where: short stacking energy: -284.398 Base-Backbone interact. energy: 1.072 local terms energy: -301.278799 where: bonds (distance) C4'-P energy: -58.453 bonds (distance) P-C4' energy: -56.935 flat angles C4'-P-C4' energy: -64.185 flat angles P-C4'-P energy: -41.610 tors. eta vs tors. theta energy: -80.096 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: 8 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -824.985854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.985854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.985854 (E_RNA) where: Base-Base interactions energy: -555.718 where: short stacking energy: -238.970 Base-Backbone interact. energy: -1.954 local terms energy: -267.313872 where: bonds (distance) C4'-P energy: -55.768 bonds (distance) P-C4' energy: -50.423 flat angles C4'-P-C4' energy: -60.348 flat angles P-C4'-P energy: -42.068 tors. eta vs tors. theta energy: -58.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -731.886355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.886355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.886355 (E_RNA) where: Base-Base interactions energy: -485.235 where: short stacking energy: -224.660 Base-Backbone interact. energy: 2.921 local terms energy: -249.572408 where: bonds (distance) C4'-P energy: -45.839 bonds (distance) P-C4' energy: -56.775 flat angles C4'-P-C4' energy: -57.548 flat angles P-C4'-P energy: -37.720 tors. eta vs tors. theta energy: -51.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -624.389856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.389856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.389856 (E_RNA) where: Base-Base interactions energy: -403.014 where: short stacking energy: -180.063 Base-Backbone interact. energy: -1.080 local terms energy: -220.296409 where: bonds (distance) C4'-P energy: -38.085 bonds (distance) P-C4' energy: -65.047 flat angles C4'-P-C4' energy: -60.401 flat angles P-C4'-P energy: -29.500 tors. eta vs tors. theta energy: -27.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -557.058586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.058586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.058586 (E_RNA) where: Base-Base interactions energy: -355.108 where: short stacking energy: -154.239 Base-Backbone interact. energy: -0.926 local terms energy: -201.024997 where: bonds (distance) C4'-P energy: -46.679 bonds (distance) P-C4' energy: -52.728 flat angles C4'-P-C4' energy: -49.973 flat angles P-C4'-P energy: -32.194 tors. eta vs tors. theta energy: -19.450 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: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1199.914790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.914790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.914790 (E_RNA) where: Base-Base interactions energy: -848.245 where: short stacking energy: -360.044 Base-Backbone interact. energy: -1.815 local terms energy: -349.854679 where: bonds (distance) C4'-P energy: -63.607 bonds (distance) P-C4' energy: -66.462 flat angles C4'-P-C4' energy: -73.727 flat angles P-C4'-P energy: -49.301 tors. eta vs tors. theta energy: -96.758 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: 201 Temperature: 0.950000 Total energy: -1146.092414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.092414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.092414 (E_RNA) where: Base-Base interactions energy: -790.428 where: short stacking energy: -363.054 Base-Backbone interact. energy: -0.253 local terms energy: -355.410467 where: bonds (distance) C4'-P energy: -58.547 bonds (distance) P-C4' energy: -64.635 flat angles C4'-P-C4' energy: -75.490 flat angles P-C4'-P energy: -45.635 tors. eta vs tors. theta energy: -111.104 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: 3, replica: 1 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1082.958933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.958933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.958933 (E_RNA) where: Base-Base interactions energy: -766.786 where: short stacking energy: -310.491 Base-Backbone interact. energy: 0.825 local terms energy: -316.998235 where: bonds (distance) C4'-P energy: -57.998 bonds (distance) P-C4' energy: -64.564 flat angles C4'-P-C4' energy: -74.382 flat angles P-C4'-P energy: -47.544 tors. eta vs tors. theta energy: -72.510 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: 201 Temperature: 1.050000 Total energy: -968.197802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.197802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.197802 (E_RNA) where: Base-Base interactions energy: -652.471 where: short stacking energy: -293.996 Base-Backbone interact. energy: 0.792 local terms energy: -316.519274 where: bonds (distance) C4'-P energy: -64.759 bonds (distance) P-C4' energy: -55.015 flat angles C4'-P-C4' energy: -72.048 flat angles P-C4'-P energy: -50.464 tors. eta vs tors. theta energy: -74.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -931.184030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.184030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.184030 (E_RNA) where: Base-Base interactions energy: -642.581 where: short stacking energy: -282.464 Base-Backbone interact. energy: -0.981 local terms energy: -287.621151 where: bonds (distance) C4'-P energy: -51.008 bonds (distance) P-C4' energy: -59.114 flat angles C4'-P-C4' energy: -59.638 flat angles P-C4'-P energy: -48.908 tors. eta vs tors. theta energy: -68.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -864.033398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.033398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.033398 (E_RNA) where: Base-Base interactions energy: -583.369 where: short stacking energy: -251.790 Base-Backbone interact. energy: 1.353 local terms energy: -282.017492 where: bonds (distance) C4'-P energy: -55.419 bonds (distance) P-C4' energy: -61.660 flat angles C4'-P-C4' energy: -65.120 flat angles P-C4'-P energy: -44.931 tors. eta vs tors. theta energy: -54.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -895.676725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.676725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.676725 (E_RNA) where: Base-Base interactions energy: -611.568 where: short stacking energy: -238.689 Base-Backbone interact. energy: -0.270 local terms energy: -283.838436 where: bonds (distance) C4'-P energy: -60.214 bonds (distance) P-C4' energy: -57.627 flat angles C4'-P-C4' energy: -69.032 flat angles P-C4'-P energy: -42.560 tors. eta vs tors. theta energy: -54.406 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: 8, replica: 9 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -734.494307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.494307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.494307 (E_RNA) where: Base-Base interactions energy: -492.447 where: short stacking energy: -204.201 Base-Backbone interact. energy: -0.115 local terms energy: -241.932292 where: bonds (distance) C4'-P energy: -60.252 bonds (distance) P-C4' energy: -48.310 flat angles C4'-P-C4' energy: -53.762 flat angles P-C4'-P energy: -42.717 tors. eta vs tors. theta energy: -36.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -645.933743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.933743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.933743 (E_RNA) where: Base-Base interactions energy: -424.330 where: short stacking energy: -189.270 Base-Backbone interact. energy: -0.357 local terms energy: -221.246955 where: bonds (distance) C4'-P energy: -35.678 bonds (distance) P-C4' energy: -55.425 flat angles C4'-P-C4' energy: -61.656 flat angles P-C4'-P energy: -33.440 tors. eta vs tors. theta energy: -35.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -542.862514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.862514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.862514 (E_RNA) where: Base-Base interactions energy: -310.070 where: short stacking energy: -153.947 Base-Backbone interact. energy: -2.101 local terms energy: -230.691869 where: bonds (distance) C4'-P energy: -53.257 bonds (distance) P-C4' energy: -56.531 flat angles C4'-P-C4' energy: -56.801 flat angles P-C4'-P energy: -36.361 tors. eta vs tors. theta energy: -27.742 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: 10 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1199.968717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.968717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.968717 (E_RNA) where: Base-Base interactions energy: -860.352 where: short stacking energy: -384.040 Base-Backbone interact. energy: 5.292 local terms energy: -344.908926 where: bonds (distance) C4'-P energy: -57.961 bonds (distance) P-C4' energy: -63.791 flat angles C4'-P-C4' energy: -73.491 flat angles P-C4'-P energy: -48.096 tors. eta vs tors. theta energy: -101.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1153.507850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.507850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.507850 (E_RNA) where: Base-Base interactions energy: -811.152 where: short stacking energy: -368.504 Base-Backbone interact. energy: -0.138 local terms energy: -342.217571 where: bonds (distance) C4'-P energy: -62.348 bonds (distance) P-C4' energy: -59.940 flat angles C4'-P-C4' energy: -78.263 flat angles P-C4'-P energy: -40.767 tors. eta vs tors. theta energy: -100.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1060.824232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.824232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.824232 (E_RNA) where: Base-Base interactions energy: -743.154 where: short stacking energy: -299.533 Base-Backbone interact. energy: -0.383 local terms energy: -317.286365 where: bonds (distance) C4'-P energy: -55.410 bonds (distance) P-C4' energy: -61.478 flat angles C4'-P-C4' energy: -71.784 flat angles P-C4'-P energy: -46.450 tors. eta vs tors. theta energy: -82.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -953.196975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.196975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.196975 (E_RNA) where: Base-Base interactions energy: -647.092 where: short stacking energy: -301.564 Base-Backbone interact. energy: -0.740 local terms energy: -305.365392 where: bonds (distance) C4'-P energy: -50.830 bonds (distance) P-C4' energy: -67.416 flat angles C4'-P-C4' energy: -64.539 flat angles P-C4'-P energy: -43.692 tors. eta vs tors. theta energy: -78.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -963.609172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.609172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.609172 (E_RNA) where: Base-Base interactions energy: -644.723 where: short stacking energy: -281.943 Base-Backbone interact. energy: -0.288 local terms energy: -318.598471 where: bonds (distance) C4'-P energy: -62.323 bonds (distance) P-C4' energy: -67.636 flat angles C4'-P-C4' energy: -70.075 flat angles P-C4'-P energy: -47.206 tors. eta vs tors. theta energy: -71.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -886.073901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.073901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.073901 (E_RNA) where: Base-Base interactions energy: -603.495 where: short stacking energy: -256.160 Base-Backbone interact. energy: -1.589 local terms energy: -280.989898 where: bonds (distance) C4'-P energy: -59.333 bonds (distance) P-C4' energy: -59.779 flat angles C4'-P-C4' energy: -62.768 flat angles P-C4'-P energy: -33.177 tors. eta vs tors. theta energy: -65.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -877.671817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.671817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.671817 (E_RNA) where: Base-Base interactions energy: -630.496 where: short stacking energy: -228.264 Base-Backbone interact. energy: 2.635 local terms energy: -249.810013 where: bonds (distance) C4'-P energy: -51.141 bonds (distance) P-C4' energy: -44.976 flat angles C4'-P-C4' energy: -58.694 flat angles P-C4'-P energy: -41.570 tors. eta vs tors. theta energy: -53.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -606.529527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.529527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.529527 (E_RNA) where: Base-Base interactions energy: -379.131 where: short stacking energy: -171.203 Base-Backbone interact. energy: 0.166 local terms energy: -227.564518 where: bonds (distance) C4'-P energy: -59.552 bonds (distance) P-C4' energy: -66.266 flat angles C4'-P-C4' energy: -51.152 flat angles P-C4'-P energy: -32.244 tors. eta vs tors. theta energy: -18.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -618.883993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.883993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.883993 (E_RNA) where: Base-Base interactions energy: -404.712 where: short stacking energy: -185.428 Base-Backbone interact. energy: 1.750 local terms energy: -215.922670 where: bonds (distance) C4'-P energy: -51.195 bonds (distance) P-C4' energy: -61.717 flat angles C4'-P-C4' energy: -42.516 flat angles P-C4'-P energy: -28.897 tors. eta vs tors. theta energy: -31.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -464.682529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.682529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.682529 (E_RNA) where: Base-Base interactions energy: -254.231 where: short stacking energy: -129.485 Base-Backbone interact. energy: -0.278 local terms energy: -210.173848 where: bonds (distance) C4'-P energy: -63.106 bonds (distance) P-C4' energy: -52.911 flat angles C4'-P-C4' energy: -53.470 flat angles P-C4'-P energy: -31.093 tors. eta vs tors. theta energy: -9.593 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: 10 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1202.856612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.856612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.856612 (E_RNA) where: Base-Base interactions energy: -856.733 where: short stacking energy: -367.250 Base-Backbone interact. energy: -3.007 local terms energy: -343.116845 where: bonds (distance) C4'-P energy: -58.709 bonds (distance) P-C4' energy: -63.428 flat angles C4'-P-C4' energy: -74.003 flat angles P-C4'-P energy: -45.481 tors. eta vs tors. theta energy: -101.496 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: 4 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1161.878917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.878917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.878917 (E_RNA) where: Base-Base interactions energy: -818.189 where: short stacking energy: -363.346 Base-Backbone interact. energy: -0.142 local terms energy: -343.548183 where: bonds (distance) C4'-P energy: -61.680 bonds (distance) P-C4' energy: -61.681 flat angles C4'-P-C4' energy: -70.450 flat angles P-C4'-P energy: -45.231 tors. eta vs tors. theta energy: -104.507 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: 1 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1087.135218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.135218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.135218 (E_RNA) where: Base-Base interactions energy: -768.095 where: short stacking energy: -309.663 Base-Backbone interact. energy: -2.755 local terms energy: -316.284990 where: bonds (distance) C4'-P energy: -52.738 bonds (distance) P-C4' energy: -58.137 flat angles C4'-P-C4' energy: -69.848 flat angles P-C4'-P energy: -56.816 tors. eta vs tors. theta energy: -78.746 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: 203 Temperature: 1.050000 Total energy: -992.292135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.292135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.292135 (E_RNA) where: Base-Base interactions energy: -677.533 where: short stacking energy: -292.881 Base-Backbone interact. energy: -2.840 local terms energy: -311.919274 where: bonds (distance) C4'-P energy: -59.552 bonds (distance) P-C4' energy: -60.317 flat angles C4'-P-C4' energy: -70.539 flat angles P-C4'-P energy: -46.475 tors. eta vs tors. theta energy: -75.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -930.726681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.726681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.726681 (E_RNA) where: Base-Base interactions energy: -648.407 where: short stacking energy: -274.745 Base-Backbone interact. energy: -3.408 local terms energy: -278.911708 where: bonds (distance) C4'-P energy: -51.179 bonds (distance) P-C4' energy: -65.059 flat angles C4'-P-C4' energy: -52.337 flat angles P-C4'-P energy: -35.741 tors. eta vs tors. theta energy: -74.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -926.104914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.104914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.104914 (E_RNA) where: Base-Base interactions energy: -642.298 where: short stacking energy: -267.996 Base-Backbone interact. energy: 1.038 local terms energy: -284.844797 where: bonds (distance) C4'-P energy: -60.539 bonds (distance) P-C4' energy: -57.144 flat angles C4'-P-C4' energy: -63.373 flat angles P-C4'-P energy: -41.085 tors. eta vs tors. theta energy: -62.703 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: 8 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -849.346173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.346173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.346173 (E_RNA) where: Base-Base interactions energy: -585.747 where: short stacking energy: -248.441 Base-Backbone interact. energy: 4.508 local terms energy: -268.106597 where: bonds (distance) C4'-P energy: -42.559 bonds (distance) P-C4' energy: -64.250 flat angles C4'-P-C4' energy: -53.213 flat angles P-C4'-P energy: -40.778 tors. eta vs tors. theta energy: -67.307 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: 203 Temperature: 1.250000 Total energy: -610.378888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.378888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.378888 (E_RNA) where: Base-Base interactions energy: -371.412 where: short stacking energy: -175.036 Base-Backbone interact. energy: 0.264 local terms energy: -239.231673 where: bonds (distance) C4'-P energy: -50.501 bonds (distance) P-C4' energy: -56.576 flat angles C4'-P-C4' energy: -67.002 flat angles P-C4'-P energy: -32.969 tors. eta vs tors. theta energy: -32.184 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: 3 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -614.747309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.747309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.747309 (E_RNA) where: Base-Base interactions energy: -388.020 where: short stacking energy: -192.028 Base-Backbone interact. energy: 0.320 local terms energy: -227.046747 where: bonds (distance) C4'-P energy: -48.087 bonds (distance) P-C4' energy: -60.917 flat angles C4'-P-C4' energy: -55.286 flat angles P-C4'-P energy: -27.086 tors. eta vs tors. theta energy: -35.671 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: 2 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -501.170568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.170568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.170568 (E_RNA) where: Base-Base interactions energy: -300.869 where: short stacking energy: -151.149 Base-Backbone interact. energy: 0.848 local terms energy: -201.148612 where: bonds (distance) C4'-P energy: -49.849 bonds (distance) P-C4' energy: -39.346 flat angles C4'-P-C4' energy: -55.557 flat angles P-C4'-P energy: -39.620 tors. eta vs tors. theta energy: -16.776 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: 1, replica: 10 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1203.241365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.241365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.241365 (E_RNA) where: Base-Base interactions energy: -857.487 where: short stacking energy: -366.087 Base-Backbone interact. energy: 0.080 local terms energy: -345.833578 where: bonds (distance) C4'-P energy: -68.526 bonds (distance) P-C4' energy: -64.062 flat angles C4'-P-C4' energy: -62.926 flat angles P-C4'-P energy: -47.632 tors. eta vs tors. theta energy: -102.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1133.795715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.795715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.795715 (E_RNA) where: Base-Base interactions energy: -789.305 where: short stacking energy: -334.831 Base-Backbone interact. energy: 1.250 local terms energy: -345.739862 where: bonds (distance) C4'-P energy: -60.322 bonds (distance) P-C4' energy: -68.994 flat angles C4'-P-C4' energy: -73.374 flat angles P-C4'-P energy: -41.293 tors. eta vs tors. theta energy: -101.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1070.349140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.349140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.349140 (E_RNA) where: Base-Base interactions energy: -760.191 where: short stacking energy: -331.966 Base-Backbone interact. energy: -3.725 local terms energy: -306.433693 where: bonds (distance) C4'-P energy: -58.630 bonds (distance) P-C4' energy: -63.230 flat angles C4'-P-C4' energy: -61.232 flat angles P-C4'-P energy: -46.199 tors. eta vs tors. theta energy: -77.143 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: 4, replica: 7 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -988.932959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.932959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.932959 (E_RNA) where: Base-Base interactions energy: -680.679 where: short stacking energy: -305.112 Base-Backbone interact. energy: 1.090 local terms energy: -309.344334 where: bonds (distance) C4'-P energy: -59.286 bonds (distance) P-C4' energy: -67.751 flat angles C4'-P-C4' energy: -62.935 flat angles P-C4'-P energy: -40.612 tors. eta vs tors. theta energy: -78.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -955.733326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.733326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.733326 (E_RNA) where: Base-Base interactions energy: -670.004 where: short stacking energy: -302.708 Base-Backbone interact. energy: -0.970 local terms energy: -284.759030 where: bonds (distance) C4'-P energy: -48.150 bonds (distance) P-C4' energy: -66.764 flat angles C4'-P-C4' energy: -63.588 flat angles P-C4'-P energy: -33.078 tors. eta vs tors. theta energy: -73.180 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: 6 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -944.861561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.861561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.861561 (E_RNA) where: Base-Base interactions energy: -653.395 where: short stacking energy: -284.180 Base-Backbone interact. energy: -3.177 local terms energy: -288.288814 where: bonds (distance) C4'-P energy: -47.013 bonds (distance) P-C4' energy: -59.422 flat angles C4'-P-C4' energy: -60.077 flat angles P-C4'-P energy: -45.514 tors. eta vs tors. theta energy: -76.263 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: 8 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -843.355487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.355487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.355487 (E_RNA) where: Base-Base interactions energy: -544.991 where: short stacking energy: -251.755 Base-Backbone interact. energy: -2.413 local terms energy: -295.951470 where: bonds (distance) C4'-P energy: -60.073 bonds (distance) P-C4' energy: -63.215 flat angles C4'-P-C4' energy: -60.607 flat angles P-C4'-P energy: -47.998 tors. eta vs tors. theta energy: -64.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -571.040231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.040231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.040231 (E_RNA) where: Base-Base interactions energy: -340.713 where: short stacking energy: -179.593 Base-Backbone interact. energy: 1.014 local terms energy: -231.340766 where: bonds (distance) C4'-P energy: -58.832 bonds (distance) P-C4' energy: -60.554 flat angles C4'-P-C4' energy: -58.951 flat angles P-C4'-P energy: -21.938 tors. eta vs tors. theta energy: -31.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -638.078635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.078635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.078635 (E_RNA) where: Base-Base interactions energy: -421.158 where: short stacking energy: -187.101 Base-Backbone interact. energy: 1.252 local terms energy: -218.172749 where: bonds (distance) C4'-P energy: -43.436 bonds (distance) P-C4' energy: -51.684 flat angles C4'-P-C4' energy: -54.387 flat angles P-C4'-P energy: -32.422 tors. eta vs tors. theta energy: -36.244 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: 2 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -479.727776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.727776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.727776 (E_RNA) where: Base-Base interactions energy: -291.771 where: short stacking energy: -163.890 Base-Backbone interact. energy: -0.142 local terms energy: -187.813940 where: bonds (distance) C4'-P energy: -56.065 bonds (distance) P-C4' energy: -53.231 flat angles C4'-P-C4' energy: -30.160 flat angles P-C4'-P energy: -25.289 tors. eta vs tors. theta energy: -23.069 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: 10 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1186.027121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.027121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.027121 (E_RNA) where: Base-Base interactions energy: -850.888 where: short stacking energy: -376.434 Base-Backbone interact. energy: -2.315 local terms energy: -332.824227 where: bonds (distance) C4'-P energy: -54.926 bonds (distance) P-C4' energy: -58.946 flat angles C4'-P-C4' energy: -69.448 flat angles P-C4'-P energy: -49.188 tors. eta vs tors. theta energy: -100.317 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: 4 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1135.457169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.457169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.457169 (E_RNA) where: Base-Base interactions energy: -781.285 where: short stacking energy: -350.079 Base-Backbone interact. energy: -0.835 local terms energy: -353.337668 where: bonds (distance) C4'-P energy: -59.322 bonds (distance) P-C4' energy: -61.346 flat angles C4'-P-C4' energy: -81.198 flat angles P-C4'-P energy: -49.665 tors. eta vs tors. theta energy: -101.807 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: 1 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1087.206372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.206372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.206372 (E_RNA) where: Base-Base interactions energy: -765.873 where: short stacking energy: -324.782 Base-Backbone interact. energy: -2.313 local terms energy: -319.019572 where: bonds (distance) C4'-P energy: -62.668 bonds (distance) P-C4' energy: -57.055 flat angles C4'-P-C4' energy: -75.148 flat angles P-C4'-P energy: -42.558 tors. eta vs tors. theta energy: -81.589 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: 5 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -990.514772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.514772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.514772 (E_RNA) where: Base-Base interactions energy: -668.114 where: short stacking energy: -298.183 Base-Backbone interact. energy: -2.035 local terms energy: -320.365733 where: bonds (distance) C4'-P energy: -58.835 bonds (distance) P-C4' energy: -69.928 flat angles C4'-P-C4' energy: -64.836 flat angles P-C4'-P energy: -43.886 tors. eta vs tors. theta energy: -82.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -949.505896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.505896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.505896 (E_RNA) where: Base-Base interactions energy: -636.354 where: short stacking energy: -292.352 Base-Backbone interact. energy: -1.347 local terms energy: -311.804962 where: bonds (distance) C4'-P energy: -63.846 bonds (distance) P-C4' energy: -60.358 flat angles C4'-P-C4' energy: -69.355 flat angles P-C4'-P energy: -39.276 tors. eta vs tors. theta energy: -78.969 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: 6, replica: 6 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -926.888076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.888076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.888076 (E_RNA) where: Base-Base interactions energy: -638.603 where: short stacking energy: -265.851 Base-Backbone interact. energy: -0.106 local terms energy: -288.179465 where: bonds (distance) C4'-P energy: -55.522 bonds (distance) P-C4' energy: -62.504 flat angles C4'-P-C4' energy: -56.586 flat angles P-C4'-P energy: -40.348 tors. eta vs tors. theta energy: -73.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -817.103584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.103584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.103584 (E_RNA) where: Base-Base interactions energy: -550.199 where: short stacking energy: -237.745 Base-Backbone interact. energy: 0.212 local terms energy: -267.116999 where: bonds (distance) C4'-P energy: -56.808 bonds (distance) P-C4' energy: -61.141 flat angles C4'-P-C4' energy: -61.512 flat angles P-C4'-P energy: -40.197 tors. eta vs tors. theta energy: -47.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -658.842371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.842371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.842371 (E_RNA) where: Base-Base interactions energy: -423.194 where: short stacking energy: -190.055 Base-Backbone interact. energy: -3.424 local terms energy: -232.223867 where: bonds (distance) C4'-P energy: -52.464 bonds (distance) P-C4' energy: -53.719 flat angles C4'-P-C4' energy: -52.749 flat angles P-C4'-P energy: -40.172 tors. eta vs tors. theta energy: -33.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -562.781752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.781752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.781752 (E_RNA) where: Base-Base interactions energy: -333.407 where: short stacking energy: -164.652 Base-Backbone interact. energy: -0.019 local terms energy: -229.355529 where: bonds (distance) C4'-P energy: -59.765 bonds (distance) P-C4' energy: -53.861 flat angles C4'-P-C4' energy: -46.914 flat angles P-C4'-P energy: -41.744 tors. eta vs tors. theta energy: -27.071 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: 2 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -517.915745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.915745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.915745 (E_RNA) where: Base-Base interactions energy: -326.280 where: short stacking energy: -158.969 Base-Backbone interact. energy: -0.312 local terms energy: -191.323659 where: bonds (distance) C4'-P energy: -38.750 bonds (distance) P-C4' energy: -57.748 flat angles C4'-P-C4' energy: -49.331 flat angles P-C4'-P energy: -18.690 tors. eta vs tors. theta energy: -26.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1199.141401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.141401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.141401 (E_RNA) where: Base-Base interactions energy: -846.641 where: short stacking energy: -354.340 Base-Backbone interact. energy: -1.631 local terms energy: -350.869377 where: bonds (distance) C4'-P energy: -71.548 bonds (distance) P-C4' energy: -57.695 flat angles C4'-P-C4' energy: -70.552 flat angles P-C4'-P energy: -53.306 tors. eta vs tors. theta energy: -97.769 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: 206 Temperature: 0.950000 Total energy: -1135.207789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.207789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.207789 (E_RNA) where: Base-Base interactions energy: -783.595 where: short stacking energy: -342.336 Base-Backbone interact. energy: -1.674 local terms energy: -349.938561 where: bonds (distance) C4'-P energy: -59.962 bonds (distance) P-C4' energy: -67.698 flat angles C4'-P-C4' energy: -75.394 flat angles P-C4'-P energy: -50.505 tors. eta vs tors. theta energy: -96.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1120.372529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.372529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.372529 (E_RNA) where: Base-Base interactions energy: -801.077 where: short stacking energy: -336.417 Base-Backbone interact. energy: -0.392 local terms energy: -318.902638 where: bonds (distance) C4'-P energy: -60.301 bonds (distance) P-C4' energy: -61.308 flat angles C4'-P-C4' energy: -66.801 flat angles P-C4'-P energy: -47.659 tors. eta vs tors. theta energy: -82.833 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: 5 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -996.146351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.146351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.146351 (E_RNA) where: Base-Base interactions energy: -678.937 where: short stacking energy: -309.707 Base-Backbone interact. energy: -1.579 local terms energy: -315.630645 where: bonds (distance) C4'-P energy: -55.700 bonds (distance) P-C4' energy: -52.664 flat angles C4'-P-C4' energy: -70.730 flat angles P-C4'-P energy: -47.480 tors. eta vs tors. theta energy: -89.056 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: 6 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -939.013124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.013124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.013124 (E_RNA) where: Base-Base interactions energy: -647.907 where: short stacking energy: -281.626 Base-Backbone interact. energy: -4.306 local terms energy: -286.799876 where: bonds (distance) C4'-P energy: -48.377 bonds (distance) P-C4' energy: -55.211 flat angles C4'-P-C4' energy: -68.754 flat angles P-C4'-P energy: -47.331 tors. eta vs tors. theta energy: -67.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -918.098093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.098093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.098093 (E_RNA) where: Base-Base interactions energy: -620.923 where: short stacking energy: -277.616 Base-Backbone interact. energy: -2.724 local terms energy: -294.451074 where: bonds (distance) C4'-P energy: -56.664 bonds (distance) P-C4' energy: -52.935 flat angles C4'-P-C4' energy: -68.508 flat angles P-C4'-P energy: -46.559 tors. eta vs tors. theta energy: -69.785 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: 8 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -825.654072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.654072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.654072 (E_RNA) where: Base-Base interactions energy: -566.231 where: short stacking energy: -247.319 Base-Backbone interact. energy: 1.351 local terms energy: -260.774299 where: bonds (distance) C4'-P energy: -46.616 bonds (distance) P-C4' energy: -54.861 flat angles C4'-P-C4' energy: -58.503 flat angles P-C4'-P energy: -42.550 tors. eta vs tors. theta energy: -58.244 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: 3 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -713.695558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.695558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.695558 (E_RNA) where: Base-Base interactions energy: -473.575 where: short stacking energy: -197.546 Base-Backbone interact. energy: -0.403 local terms energy: -239.717930 where: bonds (distance) C4'-P energy: -62.584 bonds (distance) P-C4' energy: -44.456 flat angles C4'-P-C4' energy: -62.194 flat angles P-C4'-P energy: -34.346 tors. eta vs tors. theta energy: -36.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -534.428408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.428408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.428408 (E_RNA) where: Base-Base interactions energy: -335.911 where: short stacking energy: -171.332 Base-Backbone interact. energy: 1.928 local terms energy: -200.445341 where: bonds (distance) C4'-P energy: -61.636 bonds (distance) P-C4' energy: -50.413 flat angles C4'-P-C4' energy: -45.965 flat angles P-C4'-P energy: -21.356 tors. eta vs tors. theta energy: -21.076 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: 206 Temperature: 1.350000 Total energy: -512.229751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.229751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.229751 (E_RNA) where: Base-Base interactions energy: -319.797 where: short stacking energy: -159.510 Base-Backbone interact. energy: 0.485 local terms energy: -192.917797 where: bonds (distance) C4'-P energy: -48.202 bonds (distance) P-C4' energy: -50.370 flat angles C4'-P-C4' energy: -42.830 flat angles P-C4'-P energy: -31.801 tors. eta vs tors. theta energy: -19.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1193.066537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.066537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.066537 (E_RNA) where: Base-Base interactions energy: -841.516 where: short stacking energy: -355.152 Base-Backbone interact. energy: -0.780 local terms energy: -350.770622 where: bonds (distance) C4'-P energy: -62.729 bonds (distance) P-C4' energy: -59.939 flat angles C4'-P-C4' energy: -78.189 flat angles P-C4'-P energy: -50.640 tors. eta vs tors. theta energy: -99.273 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: 207 Temperature: 0.950000 Total energy: -1117.737507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.737507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.737507 (E_RNA) where: Base-Base interactions energy: -770.000 where: short stacking energy: -338.671 Base-Backbone interact. energy: -0.710 local terms energy: -347.027730 where: bonds (distance) C4'-P energy: -66.370 bonds (distance) P-C4' energy: -62.801 flat angles C4'-P-C4' energy: -73.203 flat angles P-C4'-P energy: -52.509 tors. eta vs tors. theta energy: -92.145 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: 1 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1076.393908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.393908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.393908 (E_RNA) where: Base-Base interactions energy: -737.011 where: short stacking energy: -312.696 Base-Backbone interact. energy: -2.336 local terms energy: -337.046672 where: bonds (distance) C4'-P energy: -64.548 bonds (distance) P-C4' energy: -65.793 flat angles C4'-P-C4' energy: -69.205 flat angles P-C4'-P energy: -52.156 tors. eta vs tors. theta energy: -85.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1017.526617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.526617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.526617 (E_RNA) where: Base-Base interactions energy: -712.197 where: short stacking energy: -319.885 Base-Backbone interact. energy: -0.065 local terms energy: -305.264646 where: bonds (distance) C4'-P energy: -70.001 bonds (distance) P-C4' energy: -46.649 flat angles C4'-P-C4' energy: -69.631 flat angles P-C4'-P energy: -33.133 tors. eta vs tors. theta energy: -85.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -933.320351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.320351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.320351 (E_RNA) where: Base-Base interactions energy: -644.243 where: short stacking energy: -293.338 Base-Backbone interact. energy: -2.089 local terms energy: -286.987789 where: bonds (distance) C4'-P energy: -53.682 bonds (distance) P-C4' energy: -63.582 flat angles C4'-P-C4' energy: -68.514 flat angles P-C4'-P energy: -28.658 tors. eta vs tors. theta energy: -72.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -863.861057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.861057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.861057 (E_RNA) where: Base-Base interactions energy: -584.619 where: short stacking energy: -251.140 Base-Backbone interact. energy: -3.229 local terms energy: -276.012853 where: bonds (distance) C4'-P energy: -58.733 bonds (distance) P-C4' energy: -54.711 flat angles C4'-P-C4' energy: -64.565 flat angles P-C4'-P energy: -40.965 tors. eta vs tors. theta energy: -57.038 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: 8 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -812.397668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.397668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.397668 (E_RNA) where: Base-Base interactions energy: -545.134 where: short stacking energy: -252.645 Base-Backbone interact. energy: 0.291 local terms energy: -267.555098 where: bonds (distance) C4'-P energy: -56.129 bonds (distance) P-C4' energy: -66.084 flat angles C4'-P-C4' energy: -51.740 flat angles P-C4'-P energy: -41.392 tors. eta vs tors. theta energy: -52.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -755.485782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.485782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.485782 (E_RNA) where: Base-Base interactions energy: -516.005 where: short stacking energy: -210.136 Base-Backbone interact. energy: -1.242 local terms energy: -238.239177 where: bonds (distance) C4'-P energy: -51.488 bonds (distance) P-C4' energy: -61.741 flat angles C4'-P-C4' energy: -49.046 flat angles P-C4'-P energy: -39.348 tors. eta vs tors. theta energy: -36.616 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: 2 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -547.536085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.536085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.536085 (E_RNA) where: Base-Base interactions energy: -351.384 where: short stacking energy: -154.840 Base-Backbone interact. energy: -2.052 local terms energy: -194.100205 where: bonds (distance) C4'-P energy: -43.138 bonds (distance) P-C4' energy: -48.958 flat angles C4'-P-C4' energy: -59.188 flat angles P-C4'-P energy: -22.323 tors. eta vs tors. theta energy: -20.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -521.683151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.683151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.683151 (E_RNA) where: Base-Base interactions energy: -316.673 where: short stacking energy: -138.920 Base-Backbone interact. energy: -4.049 local terms energy: -200.960853 where: bonds (distance) C4'-P energy: -50.485 bonds (distance) P-C4' energy: -57.943 flat angles C4'-P-C4' energy: -52.384 flat angles P-C4'-P energy: -20.310 tors. eta vs tors. theta energy: -19.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1192.761220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.761220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.761220 (E_RNA) where: Base-Base interactions energy: -846.287 where: short stacking energy: -347.098 Base-Backbone interact. energy: -2.367 local terms energy: -344.107646 where: bonds (distance) C4'-P energy: -60.311 bonds (distance) P-C4' energy: -67.757 flat angles C4'-P-C4' energy: -73.562 flat angles P-C4'-P energy: -51.001 tors. eta vs tors. theta energy: -91.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1124.620636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.620636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.620636 (E_RNA) where: Base-Base interactions energy: -778.313 where: short stacking energy: -346.783 Base-Backbone interact. energy: -0.383 local terms energy: -345.924590 where: bonds (distance) C4'-P energy: -63.450 bonds (distance) P-C4' energy: -60.263 flat angles C4'-P-C4' energy: -74.985 flat angles P-C4'-P energy: -46.137 tors. eta vs tors. theta energy: -101.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1071.353945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.353945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.353945 (E_RNA) where: Base-Base interactions energy: -736.265 where: short stacking energy: -311.469 Base-Backbone interact. energy: -2.596 local terms energy: -332.492547 where: bonds (distance) C4'-P energy: -60.660 bonds (distance) P-C4' energy: -67.721 flat angles C4'-P-C4' energy: -76.898 flat angles P-C4'-P energy: -41.443 tors. eta vs tors. theta energy: -85.770 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: 5 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1007.469438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.469438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.469438 (E_RNA) where: Base-Base interactions energy: -693.003 where: short stacking energy: -306.027 Base-Backbone interact. energy: -2.028 local terms energy: -312.438081 where: bonds (distance) C4'-P energy: -57.148 bonds (distance) P-C4' energy: -58.996 flat angles C4'-P-C4' energy: -65.835 flat angles P-C4'-P energy: -49.609 tors. eta vs tors. theta energy: -80.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -937.861006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.861006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.861006 (E_RNA) where: Base-Base interactions energy: -640.957 where: short stacking energy: -280.885 Base-Backbone interact. energy: 1.232 local terms energy: -298.135791 where: bonds (distance) C4'-P energy: -64.700 bonds (distance) P-C4' energy: -52.735 flat angles C4'-P-C4' energy: -62.451 flat angles P-C4'-P energy: -45.185 tors. eta vs tors. theta energy: -73.066 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: 208 Temperature: 1.150000 Total energy: -880.709340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.709340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.709340 (E_RNA) where: Base-Base interactions energy: -597.080 where: short stacking energy: -251.385 Base-Backbone interact. energy: -0.328 local terms energy: -283.301228 where: bonds (distance) C4'-P energy: -46.750 bonds (distance) P-C4' energy: -66.955 flat angles C4'-P-C4' energy: -65.484 flat angles P-C4'-P energy: -39.837 tors. eta vs tors. theta energy: -64.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -784.083292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.083292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.083292 (E_RNA) where: Base-Base interactions energy: -523.634 where: short stacking energy: -234.703 Base-Backbone interact. energy: 0.447 local terms energy: -260.896889 where: bonds (distance) C4'-P energy: -48.931 bonds (distance) P-C4' energy: -58.009 flat angles C4'-P-C4' energy: -65.709 flat angles P-C4'-P energy: -36.692 tors. eta vs tors. theta energy: -51.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -758.680951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.680951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.680951 (E_RNA) where: Base-Base interactions energy: -513.317 where: short stacking energy: -212.698 Base-Backbone interact. energy: -1.719 local terms energy: -243.645140 where: bonds (distance) C4'-P energy: -48.737 bonds (distance) P-C4' energy: -60.982 flat angles C4'-P-C4' energy: -53.182 flat angles P-C4'-P energy: -33.501 tors. eta vs tors. theta energy: -47.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -505.681001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.681001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.681001 (E_RNA) where: Base-Base interactions energy: -299.373 where: short stacking energy: -159.639 Base-Backbone interact. energy: 5.270 local terms energy: -211.578293 where: bonds (distance) C4'-P energy: -32.510 bonds (distance) P-C4' energy: -55.909 flat angles C4'-P-C4' energy: -59.980 flat angles P-C4'-P energy: -36.462 tors. eta vs tors. theta energy: -26.718 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: 9 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -568.685055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.685055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.685055 (E_RNA) where: Base-Base interactions energy: -338.190 where: short stacking energy: -149.536 Base-Backbone interact. energy: -0.854 local terms energy: -229.640428 where: bonds (distance) C4'-P energy: -50.687 bonds (distance) P-C4' energy: -58.366 flat angles C4'-P-C4' energy: -57.593 flat angles P-C4'-P energy: -32.569 tors. eta vs tors. theta energy: -30.425 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: 10 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1195.295585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.295585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.295585 (E_RNA) where: Base-Base interactions energy: -852.377 where: short stacking energy: -362.462 Base-Backbone interact. energy: 5.454 local terms energy: -348.372222 where: bonds (distance) C4'-P energy: -62.361 bonds (distance) P-C4' energy: -66.200 flat angles C4'-P-C4' energy: -69.904 flat angles P-C4'-P energy: -47.039 tors. eta vs tors. theta energy: -102.867 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: 4 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1127.193255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.193255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.193255 (E_RNA) where: Base-Base interactions energy: -791.729 where: short stacking energy: -341.783 Base-Backbone interact. energy: 0.223 local terms energy: -335.687769 where: bonds (distance) C4'-P energy: -61.232 bonds (distance) P-C4' energy: -70.168 flat angles C4'-P-C4' energy: -72.480 flat angles P-C4'-P energy: -39.227 tors. eta vs tors. theta energy: -92.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1062.918991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.918991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.918991 (E_RNA) where: Base-Base interactions energy: -744.738 where: short stacking energy: -328.600 Base-Backbone interact. energy: -1.567 local terms energy: -316.613912 where: bonds (distance) C4'-P energy: -65.758 bonds (distance) P-C4' energy: -57.720 flat angles C4'-P-C4' energy: -68.202 flat angles P-C4'-P energy: -42.021 tors. eta vs tors. theta energy: -82.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1027.875918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.875918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.875918 (E_RNA) where: Base-Base interactions energy: -720.398 where: short stacking energy: -315.925 Base-Backbone interact. energy: -1.014 local terms energy: -306.463733 where: bonds (distance) C4'-P energy: -47.870 bonds (distance) P-C4' energy: -53.587 flat angles C4'-P-C4' energy: -73.339 flat angles P-C4'-P energy: -46.458 tors. eta vs tors. theta energy: -85.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -977.506363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.506363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.506363 (E_RNA) where: Base-Base interactions energy: -676.624 where: short stacking energy: -283.132 Base-Backbone interact. energy: 1.558 local terms energy: -302.440839 where: bonds (distance) C4'-P energy: -52.033 bonds (distance) P-C4' energy: -60.834 flat angles C4'-P-C4' energy: -68.752 flat angles P-C4'-P energy: -45.435 tors. eta vs tors. theta energy: -75.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -823.245581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.245581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.245581 (E_RNA) where: Base-Base interactions energy: -539.825 where: short stacking energy: -256.231 Base-Backbone interact. energy: -1.046 local terms energy: -282.373713 where: bonds (distance) C4'-P energy: -53.528 bonds (distance) P-C4' energy: -58.358 flat angles C4'-P-C4' energy: -67.379 flat angles P-C4'-P energy: -37.341 tors. eta vs tors. theta energy: -65.769 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: 7 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -824.573218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.573218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.573218 (E_RNA) where: Base-Base interactions energy: -569.216 where: short stacking energy: -240.512 Base-Backbone interact. energy: 0.128 local terms energy: -255.484605 where: bonds (distance) C4'-P energy: -45.280 bonds (distance) P-C4' energy: -48.232 flat angles C4'-P-C4' energy: -58.984 flat angles P-C4'-P energy: -50.807 tors. eta vs tors. theta energy: -52.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -744.244798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.244798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.244798 (E_RNA) where: Base-Base interactions energy: -502.019 where: short stacking energy: -196.080 Base-Backbone interact. energy: -1.272 local terms energy: -240.954032 where: bonds (distance) C4'-P energy: -55.029 bonds (distance) P-C4' energy: -54.997 flat angles C4'-P-C4' energy: -55.479 flat angles P-C4'-P energy: -38.054 tors. eta vs tors. theta energy: -37.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -506.303716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.303716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.303716 (E_RNA) where: Base-Base interactions energy: -312.230 where: short stacking energy: -139.695 Base-Backbone interact. energy: -0.849 local terms energy: -193.224569 where: bonds (distance) C4'-P energy: -49.492 bonds (distance) P-C4' energy: -43.764 flat angles C4'-P-C4' energy: -56.657 flat angles P-C4'-P energy: -35.546 tors. eta vs tors. theta energy: -7.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -585.310444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.310444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.310444 (E_RNA) where: Base-Base interactions energy: -355.383 where: short stacking energy: -181.929 Base-Backbone interact. energy: -1.334 local terms energy: -228.593701 where: bonds (distance) C4'-P energy: -51.561 bonds (distance) P-C4' energy: -54.793 flat angles C4'-P-C4' energy: -48.146 flat angles P-C4'-P energy: -39.222 tors. eta vs tors. theta energy: -34.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1207.414780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.414780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.414780 (E_RNA) where: Base-Base interactions energy: -849.002 where: short stacking energy: -366.709 Base-Backbone interact. energy: 0.640 local terms energy: -359.053454 where: bonds (distance) C4'-P energy: -57.881 bonds (distance) P-C4' energy: -70.290 flat angles C4'-P-C4' energy: -79.211 flat angles P-C4'-P energy: -50.457 tors. eta vs tors. theta energy: -101.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1154.593958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.593958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.593958 (E_RNA) where: Base-Base interactions energy: -810.811 where: short stacking energy: -361.945 Base-Backbone interact. energy: -0.388 local terms energy: -343.394794 where: bonds (distance) C4'-P energy: -68.383 bonds (distance) P-C4' energy: -61.942 flat angles C4'-P-C4' energy: -67.664 flat angles P-C4'-P energy: -44.191 tors. eta vs tors. theta energy: -101.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1080.543434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.543434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.543434 (E_RNA) where: Base-Base interactions energy: -752.404 where: short stacking energy: -309.721 Base-Backbone interact. energy: -1.873 local terms energy: -326.266527 where: bonds (distance) C4'-P energy: -60.447 bonds (distance) P-C4' energy: -65.777 flat angles C4'-P-C4' energy: -73.143 flat angles P-C4'-P energy: -43.032 tors. eta vs tors. theta energy: -83.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1060.820462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.820462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.820462 (E_RNA) where: Base-Base interactions energy: -743.921 where: short stacking energy: -328.133 Base-Backbone interact. energy: 1.209 local terms energy: -318.108318 where: bonds (distance) C4'-P energy: -57.893 bonds (distance) P-C4' energy: -64.651 flat angles C4'-P-C4' energy: -66.868 flat angles P-C4'-P energy: -38.442 tors. eta vs tors. theta energy: -90.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -966.258909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.258909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.258909 (E_RNA) where: Base-Base interactions energy: -661.996 where: short stacking energy: -291.828 Base-Backbone interact. energy: -2.274 local terms energy: -301.989023 where: bonds (distance) C4'-P energy: -60.764 bonds (distance) P-C4' energy: -57.375 flat angles C4'-P-C4' energy: -70.008 flat angles P-C4'-P energy: -41.952 tors. eta vs tors. theta energy: -71.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -812.137462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.137462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.137462 (E_RNA) where: Base-Base interactions energy: -545.198 where: short stacking energy: -251.604 Base-Backbone interact. energy: -1.681 local terms energy: -265.258612 where: bonds (distance) C4'-P energy: -46.014 bonds (distance) P-C4' energy: -55.804 flat angles C4'-P-C4' energy: -56.652 flat angles P-C4'-P energy: -42.592 tors. eta vs tors. theta energy: -64.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -811.970634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.970634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.970634 (E_RNA) where: Base-Base interactions energy: -575.507 where: short stacking energy: -245.413 Base-Backbone interact. energy: 2.954 local terms energy: -239.417647 where: bonds (distance) C4'-P energy: -44.841 bonds (distance) P-C4' energy: -51.671 flat angles C4'-P-C4' energy: -61.248 flat angles P-C4'-P energy: -35.918 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: 8, replica: 3 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -751.450152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.450152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.450152 (E_RNA) where: Base-Base interactions energy: -505.481 where: short stacking energy: -220.746 Base-Backbone interact. energy: -1.403 local terms energy: -244.566558 where: bonds (distance) C4'-P energy: -56.612 bonds (distance) P-C4' energy: -59.846 flat angles C4'-P-C4' energy: -53.458 flat angles P-C4'-P energy: -34.627 tors. eta vs tors. theta energy: -40.024 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: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -557.213052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.213052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.213052 (E_RNA) where: Base-Base interactions energy: -377.824 where: short stacking energy: -176.614 Base-Backbone interact. energy: 0.475 local terms energy: -179.863890 where: bonds (distance) C4'-P energy: -51.219 bonds (distance) P-C4' energy: -48.326 flat angles C4'-P-C4' energy: -40.877 flat angles P-C4'-P energy: -16.564 tors. eta vs tors. theta energy: -22.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -486.855690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.855690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.855690 (E_RNA) where: Base-Base interactions energy: -294.429 where: short stacking energy: -146.028 Base-Backbone interact. energy: 0.841 local terms energy: -193.267703 where: bonds (distance) C4'-P energy: -39.358 bonds (distance) P-C4' energy: -50.957 flat angles C4'-P-C4' energy: -50.002 flat angles P-C4'-P energy: -31.986 tors. eta vs tors. theta energy: -20.965 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: 10 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1200.629586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.629586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.629586 (E_RNA) where: Base-Base interactions energy: -851.578 where: short stacking energy: -368.974 Base-Backbone interact. energy: -1.185 local terms energy: -347.866043 where: bonds (distance) C4'-P energy: -70.872 bonds (distance) P-C4' energy: -55.045 flat angles C4'-P-C4' energy: -74.524 flat angles P-C4'-P energy: -46.049 tors. eta vs tors. theta energy: -101.377 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: 211 Temperature: 0.950000 Total energy: -1159.158022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.158022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.158022 (E_RNA) where: Base-Base interactions energy: -808.661 where: short stacking energy: -364.052 Base-Backbone interact. energy: -1.131 local terms energy: -349.366012 where: bonds (distance) C4'-P energy: -64.047 bonds (distance) P-C4' energy: -63.168 flat angles C4'-P-C4' energy: -79.016 flat angles P-C4'-P energy: -44.141 tors. eta vs tors. theta energy: -98.994 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: 1 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1063.706122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.706122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.706122 (E_RNA) where: Base-Base interactions energy: -752.029 where: short stacking energy: -302.226 Base-Backbone interact. energy: -2.242 local terms energy: -309.434979 where: bonds (distance) C4'-P energy: -45.598 bonds (distance) P-C4' energy: -64.905 flat angles C4'-P-C4' energy: -71.555 flat angles P-C4'-P energy: -48.911 tors. eta vs tors. theta energy: -78.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1048.488316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.488316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.488316 (E_RNA) where: Base-Base interactions energy: -724.621 where: short stacking energy: -323.897 Base-Backbone interact. energy: -1.694 local terms energy: -322.173554 where: bonds (distance) C4'-P energy: -66.174 bonds (distance) P-C4' energy: -62.643 flat angles C4'-P-C4' energy: -64.771 flat angles P-C4'-P energy: -36.733 tors. eta vs tors. theta energy: -91.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -980.114916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.114916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.114916 (E_RNA) where: Base-Base interactions energy: -676.256 where: short stacking energy: -293.756 Base-Backbone interact. energy: -3.091 local terms energy: -300.767852 where: bonds (distance) C4'-P energy: -58.235 bonds (distance) P-C4' energy: -50.055 flat angles C4'-P-C4' energy: -66.361 flat angles P-C4'-P energy: -46.766 tors. eta vs tors. theta energy: -79.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -843.444426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.444426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.444426 (E_RNA) where: Base-Base interactions energy: -566.849 where: short stacking energy: -240.856 Base-Backbone interact. energy: -1.125 local terms energy: -275.470763 where: bonds (distance) C4'-P energy: -59.146 bonds (distance) P-C4' energy: -58.853 flat angles C4'-P-C4' energy: -55.370 flat angles P-C4'-P energy: -41.223 tors. eta vs tors. theta energy: -60.879 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: 211 Temperature: 1.200000 Total energy: -810.804434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.804434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.804434 (E_RNA) where: Base-Base interactions energy: -546.007 where: short stacking energy: -235.883 Base-Backbone interact. energy: 1.758 local terms energy: -266.555505 where: bonds (distance) C4'-P energy: -55.122 bonds (distance) P-C4' energy: -56.191 flat angles C4'-P-C4' energy: -63.094 flat angles P-C4'-P energy: -42.982 tors. eta vs tors. theta energy: -49.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -734.262747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.262747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.262747 (E_RNA) where: Base-Base interactions energy: -494.915 where: short stacking energy: -217.178 Base-Backbone interact. energy: -1.812 local terms energy: -237.535085 where: bonds (distance) C4'-P energy: -53.259 bonds (distance) P-C4' energy: -44.499 flat angles C4'-P-C4' energy: -49.543 flat angles P-C4'-P energy: -37.359 tors. eta vs tors. theta energy: -52.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -619.323605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.323605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.323605 (E_RNA) where: Base-Base interactions energy: -395.939 where: short stacking energy: -196.099 Base-Backbone interact. energy: -1.374 local terms energy: -222.010888 where: bonds (distance) C4'-P energy: -44.649 bonds (distance) P-C4' energy: -41.471 flat angles C4'-P-C4' energy: -49.327 flat angles P-C4'-P energy: -39.449 tors. eta vs tors. theta energy: -47.115 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: 2 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -471.478117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.478117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.478117 (E_RNA) where: Base-Base interactions energy: -271.068 where: short stacking energy: -154.860 Base-Backbone interact. energy: -1.551 local terms energy: -198.858485 where: bonds (distance) C4'-P energy: -56.253 bonds (distance) P-C4' energy: -42.861 flat angles C4'-P-C4' energy: -36.537 flat angles P-C4'-P energy: -39.657 tors. eta vs tors. theta energy: -23.552 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: 10 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1207.536112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.536112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.536112 (E_RNA) where: Base-Base interactions energy: -865.425 where: short stacking energy: -376.612 Base-Backbone interact. energy: -1.159 local terms energy: -340.952634 where: bonds (distance) C4'-P energy: -54.353 bonds (distance) P-C4' energy: -66.708 flat angles C4'-P-C4' energy: -77.481 flat angles P-C4'-P energy: -43.208 tors. eta vs tors. theta energy: -99.202 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: 2, replica: 4 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1136.491955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.491955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.491955 (E_RNA) where: Base-Base interactions energy: -818.804 where: short stacking energy: -357.345 Base-Backbone interact. energy: -0.300 local terms energy: -317.387987 where: bonds (distance) C4'-P energy: -51.929 bonds (distance) P-C4' energy: -54.808 flat angles C4'-P-C4' energy: -68.608 flat angles P-C4'-P energy: -45.720 tors. eta vs tors. theta energy: -96.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1074.847147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.847147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.847147 (E_RNA) where: Base-Base interactions energy: -752.372 where: short stacking energy: -311.552 Base-Backbone interact. energy: -0.876 local terms energy: -321.598258 where: bonds (distance) C4'-P energy: -56.117 bonds (distance) P-C4' energy: -64.748 flat angles C4'-P-C4' energy: -70.383 flat angles P-C4'-P energy: -44.490 tors. eta vs tors. theta energy: -85.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1011.940348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.940348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.940348 (E_RNA) where: Base-Base interactions energy: -692.824 where: short stacking energy: -310.180 Base-Backbone interact. energy: 0.911 local terms energy: -320.027905 where: bonds (distance) C4'-P energy: -62.628 bonds (distance) P-C4' energy: -56.117 flat angles C4'-P-C4' energy: -71.197 flat angles P-C4'-P energy: -44.050 tors. eta vs tors. theta energy: -86.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -962.219964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.219964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.219964 (E_RNA) where: Base-Base interactions energy: -673.668 where: short stacking energy: -288.586 Base-Backbone interact. energy: -2.300 local terms energy: -286.252194 where: bonds (distance) C4'-P energy: -57.699 bonds (distance) P-C4' energy: -63.341 flat angles C4'-P-C4' energy: -53.104 flat angles P-C4'-P energy: -40.122 tors. eta vs tors. theta energy: -71.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -839.670159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.670159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.670159 (E_RNA) where: Base-Base interactions energy: -578.839 where: short stacking energy: -261.348 Base-Backbone interact. energy: -1.335 local terms energy: -259.496048 where: bonds (distance) C4'-P energy: -55.464 bonds (distance) P-C4' energy: -56.773 flat angles C4'-P-C4' energy: -59.567 flat angles P-C4'-P energy: -37.239 tors. eta vs tors. theta energy: -50.452 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: 8 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -802.508273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.508273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.508273 (E_RNA) where: Base-Base interactions energy: -565.193 where: short stacking energy: -233.473 Base-Backbone interact. energy: -0.669 local terms energy: -236.646960 where: bonds (distance) C4'-P energy: -48.274 bonds (distance) P-C4' energy: -54.009 flat angles C4'-P-C4' energy: -53.511 flat angles P-C4'-P energy: -29.538 tors. eta vs tors. theta energy: -51.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -734.344870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.344870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.344870 (E_RNA) where: Base-Base interactions energy: -490.468 where: short stacking energy: -222.462 Base-Backbone interact. energy: 0.137 local terms energy: -244.013644 where: bonds (distance) C4'-P energy: -51.243 bonds (distance) P-C4' energy: -65.765 flat angles C4'-P-C4' energy: -56.134 flat angles P-C4'-P energy: -33.150 tors. eta vs tors. theta energy: -37.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -632.777215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.777215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.777215 (E_RNA) where: Base-Base interactions energy: -400.223 where: short stacking energy: -176.537 Base-Backbone interact. energy: -0.772 local terms energy: -231.781929 where: bonds (distance) C4'-P energy: -58.527 bonds (distance) P-C4' energy: -60.577 flat angles C4'-P-C4' energy: -46.459 flat angles P-C4'-P energy: -31.110 tors. eta vs tors. theta energy: -35.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -445.108105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.108105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.108105 (E_RNA) where: Base-Base interactions energy: -252.619 where: short stacking energy: -131.060 Base-Backbone interact. energy: -1.183 local terms energy: -191.306090 where: bonds (distance) C4'-P energy: -48.447 bonds (distance) P-C4' energy: -51.377 flat angles C4'-P-C4' energy: -56.212 flat angles P-C4'-P energy: -20.381 tors. eta vs tors. theta energy: -14.889 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: 10 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1196.101893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.101893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.101893 (E_RNA) where: Base-Base interactions energy: -837.025 where: short stacking energy: -352.189 Base-Backbone interact. energy: -1.562 local terms energy: -357.514781 where: bonds (distance) C4'-P energy: -66.564 bonds (distance) P-C4' energy: -64.989 flat angles C4'-P-C4' energy: -78.375 flat angles P-C4'-P energy: -53.172 tors. eta vs tors. theta energy: -94.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1142.595520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.595520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.595520 (E_RNA) where: Base-Base interactions energy: -776.266 where: short stacking energy: -360.837 Base-Backbone interact. energy: -1.134 local terms energy: -365.195792 where: bonds (distance) C4'-P energy: -56.810 bonds (distance) P-C4' energy: -66.838 flat angles C4'-P-C4' energy: -76.141 flat angles P-C4'-P energy: -57.636 tors. eta vs tors. theta energy: -107.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1056.377919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.377919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.377919 (E_RNA) where: Base-Base interactions energy: -754.423 where: short stacking energy: -299.235 Base-Backbone interact. energy: 1.899 local terms energy: -303.853581 where: bonds (distance) C4'-P energy: -50.460 bonds (distance) P-C4' energy: -64.174 flat angles C4'-P-C4' energy: -62.356 flat angles P-C4'-P energy: -36.656 tors. eta vs tors. theta energy: -90.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1022.372445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.372445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.372445 (E_RNA) where: Base-Base interactions energy: -705.179 where: short stacking energy: -326.773 Base-Backbone interact. energy: -2.805 local terms energy: -314.388141 where: bonds (distance) C4'-P energy: -65.883 bonds (distance) P-C4' energy: -54.897 flat angles C4'-P-C4' energy: -70.259 flat angles P-C4'-P energy: -47.689 tors. eta vs tors. theta energy: -75.659 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: 6 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -960.983920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.983920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.983920 (E_RNA) where: Base-Base interactions energy: -684.543 where: short stacking energy: -289.578 Base-Backbone interact. energy: -1.773 local terms energy: -274.668265 where: bonds (distance) C4'-P energy: -43.928 bonds (distance) P-C4' energy: -61.873 flat angles C4'-P-C4' energy: -60.515 flat angles P-C4'-P energy: -42.087 tors. eta vs tors. theta energy: -66.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -875.020939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.020939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.020939 (E_RNA) where: Base-Base interactions energy: -581.556 where: short stacking energy: -254.732 Base-Backbone interact. energy: 0.317 local terms energy: -293.782256 where: bonds (distance) C4'-P energy: -61.830 bonds (distance) P-C4' energy: -55.627 flat angles C4'-P-C4' energy: -62.900 flat angles P-C4'-P energy: -46.986 tors. eta vs tors. theta energy: -66.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -795.495520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.495520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.495520 (E_RNA) where: Base-Base interactions energy: -549.652 where: short stacking energy: -218.423 Base-Backbone interact. energy: -1.118 local terms energy: -244.724975 where: bonds (distance) C4'-P energy: -45.753 bonds (distance) P-C4' energy: -57.815 flat angles C4'-P-C4' energy: -56.103 flat angles P-C4'-P energy: -41.163 tors. eta vs tors. theta energy: -43.890 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: 3 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -731.311270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.311270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.311270 (E_RNA) where: Base-Base interactions energy: -500.593 where: short stacking energy: -209.060 Base-Backbone interact. energy: 1.109 local terms energy: -231.826752 where: bonds (distance) C4'-P energy: -53.476 bonds (distance) P-C4' energy: -57.001 flat angles C4'-P-C4' energy: -42.798 flat angles P-C4'-P energy: -40.681 tors. eta vs tors. theta energy: -37.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -617.892115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.892115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.892115 (E_RNA) where: Base-Base interactions energy: -408.123 where: short stacking energy: -198.551 Base-Backbone interact. energy: -0.591 local terms energy: -209.177541 where: bonds (distance) C4'-P energy: -46.440 bonds (distance) P-C4' energy: -57.400 flat angles C4'-P-C4' energy: -45.555 flat angles P-C4'-P energy: -29.219 tors. eta vs tors. theta energy: -30.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -450.836880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.836880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.836880 (E_RNA) where: Base-Base interactions energy: -266.006 where: short stacking energy: -136.596 Base-Backbone interact. energy: -1.954 local terms energy: -182.877030 where: bonds (distance) C4'-P energy: -39.334 bonds (distance) P-C4' energy: -54.227 flat angles C4'-P-C4' energy: -54.103 flat angles P-C4'-P energy: -25.332 tors. eta vs tors. theta energy: -9.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1201.106919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.106919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.106919 (E_RNA) where: Base-Base interactions energy: -852.227 where: short stacking energy: -357.806 Base-Backbone interact. energy: 0.211 local terms energy: -349.091061 where: bonds (distance) C4'-P energy: -68.895 bonds (distance) P-C4' energy: -64.139 flat angles C4'-P-C4' energy: -70.618 flat angles P-C4'-P energy: -49.776 tors. eta vs tors. theta energy: -95.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1144.324926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.324926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.324926 (E_RNA) where: Base-Base interactions energy: -798.994 where: short stacking energy: -364.373 Base-Backbone interact. energy: -1.151 local terms energy: -344.180513 where: bonds (distance) C4'-P energy: -60.023 bonds (distance) P-C4' energy: -57.654 flat angles C4'-P-C4' energy: -71.411 flat angles P-C4'-P energy: -49.426 tors. eta vs tors. theta energy: -105.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1065.576818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.576818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.576818 (E_RNA) where: Base-Base interactions energy: -741.419 where: short stacking energy: -337.111 Base-Backbone interact. energy: 1.128 local terms energy: -325.286007 where: bonds (distance) C4'-P energy: -59.717 bonds (distance) P-C4' energy: -63.973 flat angles C4'-P-C4' energy: -72.248 flat angles P-C4'-P energy: -45.100 tors. eta vs tors. theta energy: -84.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1001.075022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.075022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.075022 (E_RNA) where: Base-Base interactions energy: -710.249 where: short stacking energy: -317.835 Base-Backbone interact. energy: -1.394 local terms energy: -289.432399 where: bonds (distance) C4'-P energy: -47.742 bonds (distance) P-C4' energy: -63.187 flat angles C4'-P-C4' energy: -67.335 flat angles P-C4'-P energy: -37.737 tors. eta vs tors. theta energy: -73.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -957.318988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.318988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.318988 (E_RNA) where: Base-Base interactions energy: -679.802 where: short stacking energy: -283.098 Base-Backbone interact. energy: -0.679 local terms energy: -276.837079 where: bonds (distance) C4'-P energy: -56.735 bonds (distance) P-C4' energy: -55.909 flat angles C4'-P-C4' energy: -61.546 flat angles P-C4'-P energy: -32.997 tors. eta vs tors. theta energy: -69.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -898.756910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.756910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.756910 (E_RNA) where: Base-Base interactions energy: -608.059 where: short stacking energy: -227.373 Base-Backbone interact. energy: -2.008 local terms energy: -288.690084 where: bonds (distance) C4'-P energy: -52.761 bonds (distance) P-C4' energy: -58.871 flat angles C4'-P-C4' energy: -64.066 flat angles P-C4'-P energy: -50.415 tors. eta vs tors. theta energy: -62.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -824.110773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.110773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.110773 (E_RNA) where: Base-Base interactions energy: -570.248 where: short stacking energy: -255.437 Base-Backbone interact. energy: -0.666 local terms energy: -253.196663 where: bonds (distance) C4'-P energy: -59.068 bonds (distance) P-C4' energy: -56.367 flat angles C4'-P-C4' energy: -60.799 flat angles P-C4'-P energy: -20.380 tors. eta vs tors. theta energy: -56.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -724.482675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.482675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.482675 (E_RNA) where: Base-Base interactions energy: -487.726 where: short stacking energy: -215.144 Base-Backbone interact. energy: 1.421 local terms energy: -238.176801 where: bonds (distance) C4'-P energy: -37.922 bonds (distance) P-C4' energy: -51.738 flat angles C4'-P-C4' energy: -65.949 flat angles P-C4'-P energy: -36.130 tors. eta vs tors. theta energy: -46.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -628.117123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.117123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.117123 (E_RNA) where: Base-Base interactions energy: -402.268 where: short stacking energy: -182.213 Base-Backbone interact. energy: -1.537 local terms energy: -224.312549 where: bonds (distance) C4'-P energy: -49.666 bonds (distance) P-C4' energy: -52.379 flat angles C4'-P-C4' energy: -55.501 flat angles P-C4'-P energy: -33.643 tors. eta vs tors. theta energy: -33.123 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: 2 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -451.752387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.752387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.752387 (E_RNA) where: Base-Base interactions energy: -248.697 where: short stacking energy: -150.223 Base-Backbone interact. energy: 1.988 local terms energy: -205.043792 where: bonds (distance) C4'-P energy: -52.231 bonds (distance) P-C4' energy: -49.396 flat angles C4'-P-C4' energy: -53.204 flat angles P-C4'-P energy: -37.255 tors. eta vs tors. theta energy: -12.959 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: 10 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1194.920479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.920479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.920479 (E_RNA) where: Base-Base interactions energy: -867.649 where: short stacking energy: -351.048 Base-Backbone interact. energy: -1.480 local terms energy: -325.791881 where: bonds (distance) C4'-P energy: -56.415 bonds (distance) P-C4' energy: -56.291 flat angles C4'-P-C4' energy: -73.011 flat angles P-C4'-P energy: -46.411 tors. eta vs tors. theta energy: -93.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1157.514087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.514087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.514087 (E_RNA) where: Base-Base interactions energy: -801.353 where: short stacking energy: -361.795 Base-Backbone interact. energy: -2.458 local terms energy: -353.703617 where: bonds (distance) C4'-P energy: -66.126 bonds (distance) P-C4' energy: -67.814 flat angles C4'-P-C4' energy: -69.098 flat angles P-C4'-P energy: -42.292 tors. eta vs tors. theta energy: -108.375 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: 1 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1066.627555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.627555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.627555 (E_RNA) where: Base-Base interactions energy: -745.068 where: short stacking energy: -325.734 Base-Backbone interact. energy: -0.470 local terms energy: -321.088981 where: bonds (distance) C4'-P energy: -62.619 bonds (distance) P-C4' energy: -66.743 flat angles C4'-P-C4' energy: -64.484 flat angles P-C4'-P energy: -45.670 tors. eta vs tors. theta energy: -81.573 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: 6 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -994.534395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.534395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.534395 (E_RNA) where: Base-Base interactions energy: -702.985 where: short stacking energy: -306.834 Base-Backbone interact. energy: 3.390 local terms energy: -294.940017 where: bonds (distance) C4'-P energy: -53.298 bonds (distance) P-C4' energy: -61.048 flat angles C4'-P-C4' energy: -62.256 flat angles P-C4'-P energy: -45.929 tors. eta vs tors. theta energy: -72.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -962.612733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.612733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.612733 (E_RNA) where: Base-Base interactions energy: -674.145 where: short stacking energy: -293.954 Base-Backbone interact. energy: -1.204 local terms energy: -287.263623 where: bonds (distance) C4'-P energy: -52.261 bonds (distance) P-C4' energy: -56.712 flat angles C4'-P-C4' energy: -63.056 flat angles P-C4'-P energy: -39.440 tors. eta vs tors. theta energy: -75.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -861.633911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.633911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.633911 (E_RNA) where: Base-Base interactions energy: -591.916 where: short stacking energy: -266.496 Base-Backbone interact. energy: -1.077 local terms energy: -268.641302 where: bonds (distance) C4'-P energy: -55.783 bonds (distance) P-C4' energy: -49.180 flat angles C4'-P-C4' energy: -59.826 flat angles P-C4'-P energy: -38.097 tors. eta vs tors. theta energy: -65.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -804.421998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.421998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.421998 (E_RNA) where: Base-Base interactions energy: -541.589 where: short stacking energy: -229.441 Base-Backbone interact. energy: -1.826 local terms energy: -261.007279 where: bonds (distance) C4'-P energy: -53.385 bonds (distance) P-C4' energy: -59.161 flat angles C4'-P-C4' energy: -59.739 flat angles P-C4'-P energy: -34.501 tors. eta vs tors. theta energy: -54.221 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: 3 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -739.304242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.304242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.304242 (E_RNA) where: Base-Base interactions energy: -502.634 where: short stacking energy: -207.892 Base-Backbone interact. energy: -1.181 local terms energy: -235.490081 where: bonds (distance) C4'-P energy: -42.558 bonds (distance) P-C4' energy: -51.857 flat angles C4'-P-C4' energy: -57.489 flat angles P-C4'-P energy: -34.528 tors. eta vs tors. theta energy: -49.057 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: 9 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -656.549090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.549090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.549090 (E_RNA) where: Base-Base interactions energy: -438.982 where: short stacking energy: -206.156 Base-Backbone interact. energy: -0.573 local terms energy: -216.993746 where: bonds (distance) C4'-P energy: -43.474 bonds (distance) P-C4' energy: -58.498 flat angles C4'-P-C4' energy: -47.935 flat angles P-C4'-P energy: -30.298 tors. eta vs tors. theta energy: -36.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -461.575865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.575865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.575865 (E_RNA) where: Base-Base interactions energy: -275.294 where: short stacking energy: -150.030 Base-Backbone interact. energy: 1.517 local terms energy: -187.798860 where: bonds (distance) C4'-P energy: -40.709 bonds (distance) P-C4' energy: -54.238 flat angles C4'-P-C4' energy: -43.649 flat angles P-C4'-P energy: -31.323 tors. eta vs tors. theta energy: -17.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1205.795189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.795189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.795189 (E_RNA) where: Base-Base interactions energy: -857.873 where: short stacking energy: -349.688 Base-Backbone interact. energy: 0.662 local terms energy: -348.584775 where: bonds (distance) C4'-P energy: -63.232 bonds (distance) P-C4' energy: -72.601 flat angles C4'-P-C4' energy: -71.382 flat angles P-C4'-P energy: -47.179 tors. eta vs tors. theta energy: -94.191 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: 2, replica: 4 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1152.514106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.514106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.514106 (E_RNA) where: Base-Base interactions energy: -786.273 where: short stacking energy: -366.551 Base-Backbone interact. energy: -1.126 local terms energy: -365.115110 where: bonds (distance) C4'-P energy: -65.776 bonds (distance) P-C4' energy: -58.336 flat angles C4'-P-C4' energy: -79.304 flat angles P-C4'-P energy: -54.239 tors. eta vs tors. theta energy: -107.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1041.769536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.769536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.769536 (E_RNA) where: Base-Base interactions energy: -708.753 where: short stacking energy: -310.558 Base-Backbone interact. energy: -1.471 local terms energy: -331.545373 where: bonds (distance) C4'-P energy: -68.042 bonds (distance) P-C4' energy: -63.698 flat angles C4'-P-C4' energy: -65.315 flat angles P-C4'-P energy: -48.482 tors. eta vs tors. theta energy: -86.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -990.698088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.698088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.698088 (E_RNA) where: Base-Base interactions energy: -697.259 where: short stacking energy: -296.306 Base-Backbone interact. energy: 0.862 local terms energy: -294.301162 where: bonds (distance) C4'-P energy: -62.906 bonds (distance) P-C4' energy: -56.283 flat angles C4'-P-C4' energy: -64.613 flat angles P-C4'-P energy: -37.991 tors. eta vs tors. theta energy: -72.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -993.485545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.485545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.485545 (E_RNA) where: Base-Base interactions energy: -710.381 where: short stacking energy: -306.523 Base-Backbone interact. energy: -1.099 local terms energy: -282.005368 where: bonds (distance) C4'-P energy: -48.529 bonds (distance) P-C4' energy: -55.406 flat angles C4'-P-C4' energy: -68.574 flat angles P-C4'-P energy: -34.191 tors. eta vs tors. theta energy: -75.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -838.659032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.659032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.659032 (E_RNA) where: Base-Base interactions energy: -554.045 where: short stacking energy: -240.797 Base-Backbone interact. energy: 0.833 local terms energy: -285.447006 where: bonds (distance) C4'-P energy: -64.017 bonds (distance) P-C4' energy: -61.251 flat angles C4'-P-C4' energy: -66.892 flat angles P-C4'-P energy: -45.787 tors. eta vs tors. theta energy: -47.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -846.216853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.216853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.216853 (E_RNA) where: Base-Base interactions energy: -563.343 where: short stacking energy: -256.971 Base-Backbone interact. energy: -0.347 local terms energy: -282.526565 where: bonds (distance) C4'-P energy: -46.785 bonds (distance) P-C4' energy: -58.053 flat angles C4'-P-C4' energy: -69.317 flat angles P-C4'-P energy: -37.198 tors. eta vs tors. theta energy: -71.174 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: 8, replica: 3 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -755.085951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.085951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.085951 (E_RNA) where: Base-Base interactions energy: -527.462 where: short stacking energy: -220.608 Base-Backbone interact. energy: -2.120 local terms energy: -225.503907 where: bonds (distance) C4'-P energy: -41.817 bonds (distance) P-C4' energy: -54.854 flat angles C4'-P-C4' energy: -48.973 flat angles P-C4'-P energy: -31.210 tors. eta vs tors. theta energy: -48.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -650.965712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.965712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.965712 (E_RNA) where: Base-Base interactions energy: -429.826 where: short stacking energy: -195.215 Base-Backbone interact. energy: 4.085 local terms energy: -225.224379 where: bonds (distance) C4'-P energy: -61.930 bonds (distance) P-C4' energy: -57.438 flat angles C4'-P-C4' energy: -59.298 flat angles P-C4'-P energy: -21.383 tors. eta vs tors. theta energy: -25.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -439.066952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.066952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.066952 (E_RNA) where: Base-Base interactions energy: -259.262 where: short stacking energy: -125.861 Base-Backbone interact. energy: -0.671 local terms energy: -179.134629 where: bonds (distance) C4'-P energy: -41.219 bonds (distance) P-C4' energy: -55.050 flat angles C4'-P-C4' energy: -47.221 flat angles P-C4'-P energy: -17.101 tors. eta vs tors. theta energy: -18.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1207.600674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.600674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.600674 (E_RNA) where: Base-Base interactions energy: -852.992 where: short stacking energy: -350.275 Base-Backbone interact. energy: -2.424 local terms energy: -352.184912 where: bonds (distance) C4'-P energy: -67.236 bonds (distance) P-C4' energy: -68.062 flat angles C4'-P-C4' energy: -70.574 flat angles P-C4'-P energy: -47.314 tors. eta vs tors. theta energy: -98.998 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: 217 Temperature: 0.950000 Total energy: -1159.043708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.043708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.043708 (E_RNA) where: Base-Base interactions energy: -808.832 where: short stacking energy: -344.609 Base-Backbone interact. energy: -1.072 local terms energy: -349.139162 where: bonds (distance) C4'-P energy: -56.780 bonds (distance) P-C4' energy: -64.343 flat angles C4'-P-C4' energy: -77.723 flat angles P-C4'-P energy: -50.173 tors. eta vs tors. theta energy: -100.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1027.832886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.832886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.832886 (E_RNA) where: Base-Base interactions energy: -688.131 where: short stacking energy: -304.595 Base-Backbone interact. energy: -3.029 local terms energy: -336.673301 where: bonds (distance) C4'-P energy: -61.432 bonds (distance) P-C4' energy: -64.467 flat angles C4'-P-C4' energy: -71.585 flat angles P-C4'-P energy: -57.964 tors. eta vs tors. theta energy: -81.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1021.815896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.815896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.815896 (E_RNA) where: Base-Base interactions energy: -724.915 where: short stacking energy: -317.787 Base-Backbone interact. energy: -0.289 local terms energy: -296.612326 where: bonds (distance) C4'-P energy: -45.071 bonds (distance) P-C4' energy: -57.944 flat angles C4'-P-C4' energy: -64.927 flat angles P-C4'-P energy: -47.459 tors. eta vs tors. theta energy: -81.211 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: 217 Temperature: 1.100000 Total energy: -995.930656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.930656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.930656 (E_RNA) where: Base-Base interactions energy: -700.619 where: short stacking energy: -283.679 Base-Backbone interact. energy: -1.762 local terms energy: -293.548771 where: bonds (distance) C4'-P energy: -57.534 bonds (distance) P-C4' energy: -62.042 flat angles C4'-P-C4' energy: -64.631 flat angles P-C4'-P energy: -35.768 tors. eta vs tors. theta energy: -73.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -863.781020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.781020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.781020 (E_RNA) where: Base-Base interactions energy: -595.725 where: short stacking energy: -276.930 Base-Backbone interact. energy: -0.906 local terms energy: -267.149601 where: bonds (distance) C4'-P energy: -54.421 bonds (distance) P-C4' energy: -54.338 flat angles C4'-P-C4' energy: -50.256 flat angles P-C4'-P energy: -41.720 tors. eta vs tors. theta energy: -66.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -847.290698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.290698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.290698 (E_RNA) where: Base-Base interactions energy: -565.622 where: short stacking energy: -270.137 Base-Backbone interact. energy: -1.687 local terms energy: -279.981886 where: bonds (distance) C4'-P energy: -53.627 bonds (distance) P-C4' energy: -47.639 flat angles C4'-P-C4' energy: -58.908 flat angles P-C4'-P energy: -53.279 tors. eta vs tors. theta energy: -66.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -771.395693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.395693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.395693 (E_RNA) where: Base-Base interactions energy: -526.526 where: short stacking energy: -216.365 Base-Backbone interact. energy: -1.072 local terms energy: -243.798099 where: bonds (distance) C4'-P energy: -56.810 bonds (distance) P-C4' energy: -49.282 flat angles C4'-P-C4' energy: -56.644 flat angles P-C4'-P energy: -37.430 tors. eta vs tors. theta energy: -43.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -658.733277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.733277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.733277 (E_RNA) where: Base-Base interactions energy: -419.053 where: short stacking energy: -191.784 Base-Backbone interact. energy: -0.133 local terms energy: -239.547444 where: bonds (distance) C4'-P energy: -54.741 bonds (distance) P-C4' energy: -58.637 flat angles C4'-P-C4' energy: -49.479 flat angles P-C4'-P energy: -46.249 tors. eta vs tors. theta energy: -30.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -484.421585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.421585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.421585 (E_RNA) where: Base-Base interactions energy: -303.023 where: short stacking energy: -154.458 Base-Backbone interact. energy: -0.602 local terms energy: -180.796853 where: bonds (distance) C4'-P energy: -37.301 bonds (distance) P-C4' energy: -61.668 flat angles C4'-P-C4' energy: -44.007 flat angles P-C4'-P energy: -30.731 tors. eta vs tors. theta energy: -7.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1209.523721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.523721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.523721 (E_RNA) where: Base-Base interactions energy: -866.639 where: short stacking energy: -363.151 Base-Backbone interact. energy: -0.687 local terms energy: -342.197651 where: bonds (distance) C4'-P energy: -67.038 bonds (distance) P-C4' energy: -66.762 flat angles C4'-P-C4' energy: -72.101 flat angles P-C4'-P energy: -35.059 tors. eta vs tors. theta energy: -101.238 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: 4 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1143.682605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.682605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.682605 (E_RNA) where: Base-Base interactions energy: -805.765 where: short stacking energy: -356.306 Base-Backbone interact. energy: -1.280 local terms energy: -336.637651 where: bonds (distance) C4'-P energy: -57.176 bonds (distance) P-C4' energy: -61.888 flat angles C4'-P-C4' energy: -69.095 flat angles P-C4'-P energy: -52.814 tors. eta vs tors. theta energy: -95.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1065.143188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.143188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.143188 (E_RNA) where: Base-Base interactions energy: -734.441 where: short stacking energy: -324.622 Base-Backbone interact. energy: -1.361 local terms energy: -329.340913 where: bonds (distance) C4'-P energy: -65.911 bonds (distance) P-C4' energy: -65.004 flat angles C4'-P-C4' energy: -68.765 flat angles P-C4'-P energy: -42.718 tors. eta vs tors. theta energy: -86.943 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: 6 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1016.210295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.210295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.210295 (E_RNA) where: Base-Base interactions energy: -711.708 where: short stacking energy: -306.797 Base-Backbone interact. energy: 0.357 local terms energy: -304.859958 where: bonds (distance) C4'-P energy: -57.063 bonds (distance) P-C4' energy: -63.881 flat angles C4'-P-C4' energy: -68.726 flat angles P-C4'-P energy: -37.268 tors. eta vs tors. theta energy: -77.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -971.153105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.153105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.153105 (E_RNA) where: Base-Base interactions energy: -687.275 where: short stacking energy: -306.884 Base-Backbone interact. energy: 2.211 local terms energy: -286.088977 where: bonds (distance) C4'-P energy: -56.526 bonds (distance) P-C4' energy: -57.512 flat angles C4'-P-C4' energy: -63.014 flat angles P-C4'-P energy: -29.762 tors. eta vs tors. theta energy: -79.274 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: 8 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -905.273779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.273779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.273779 (E_RNA) where: Base-Base interactions energy: -612.007 where: short stacking energy: -282.030 Base-Backbone interact. energy: -0.546 local terms energy: -292.720359 where: bonds (distance) C4'-P energy: -59.173 bonds (distance) P-C4' energy: -61.663 flat angles C4'-P-C4' energy: -59.008 flat angles P-C4'-P energy: -38.908 tors. eta vs tors. theta energy: -73.969 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: 7 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -832.830528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.830528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.830528 (E_RNA) where: Base-Base interactions energy: -569.660 where: short stacking energy: -230.721 Base-Backbone interact. energy: -1.143 local terms energy: -262.027526 where: bonds (distance) C4'-P energy: -53.978 bonds (distance) P-C4' energy: -59.762 flat angles C4'-P-C4' energy: -56.900 flat angles P-C4'-P energy: -37.566 tors. eta vs tors. theta energy: -53.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -759.282714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.282714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.282714 (E_RNA) where: Base-Base interactions energy: -518.851 where: short stacking energy: -233.761 Base-Backbone interact. energy: -0.360 local terms energy: -240.071029 where: bonds (distance) C4'-P energy: -43.129 bonds (distance) P-C4' energy: -62.574 flat angles C4'-P-C4' energy: -57.774 flat angles P-C4'-P energy: -36.642 tors. eta vs tors. theta energy: -39.952 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: 9, replica: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -630.824539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.824539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.824539 (E_RNA) where: Base-Base interactions energy: -386.802 where: short stacking energy: -185.452 Base-Backbone interact. energy: 0.231 local terms energy: -244.253154 where: bonds (distance) C4'-P energy: -59.383 bonds (distance) P-C4' energy: -52.399 flat angles C4'-P-C4' energy: -65.126 flat angles P-C4'-P energy: -38.813 tors. eta vs tors. theta energy: -28.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -567.732016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.732016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.732016 (E_RNA) where: Base-Base interactions energy: -367.385 where: short stacking energy: -157.735 Base-Backbone interact. energy: -1.765 local terms energy: -198.582063 where: bonds (distance) C4'-P energy: -35.799 bonds (distance) P-C4' energy: -52.782 flat angles C4'-P-C4' energy: -57.910 flat angles P-C4'-P energy: -33.713 tors. eta vs tors. theta energy: -18.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1224.550594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.550594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.550594 (E_RNA) where: Base-Base interactions energy: -877.637 where: short stacking energy: -378.192 Base-Backbone interact. energy: -2.739 local terms energy: -344.175373 where: bonds (distance) C4'-P energy: -58.076 bonds (distance) P-C4' energy: -55.209 flat angles C4'-P-C4' energy: -76.724 flat angles P-C4'-P energy: -51.773 tors. eta vs tors. theta energy: -102.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1145.798678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.798678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.798678 (E_RNA) where: Base-Base interactions energy: -790.490 where: short stacking energy: -356.112 Base-Backbone interact. energy: 0.253 local terms energy: -355.560950 where: bonds (distance) C4'-P energy: -64.115 bonds (distance) P-C4' energy: -69.529 flat angles C4'-P-C4' energy: -69.673 flat angles P-C4'-P energy: -50.630 tors. eta vs tors. theta energy: -101.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1060.315941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.315941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.315941 (E_RNA) where: Base-Base interactions energy: -729.052 where: short stacking energy: -310.244 Base-Backbone interact. energy: 0.287 local terms energy: -331.550718 where: bonds (distance) C4'-P energy: -58.076 bonds (distance) P-C4' energy: -66.985 flat angles C4'-P-C4' energy: -68.346 flat angles P-C4'-P energy: -55.131 tors. eta vs tors. theta energy: -83.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1002.674385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.674385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.674385 (E_RNA) where: Base-Base interactions energy: -702.404 where: short stacking energy: -296.956 Base-Backbone interact. energy: -1.874 local terms energy: -298.395728 where: bonds (distance) C4'-P energy: -52.217 bonds (distance) P-C4' energy: -56.699 flat angles C4'-P-C4' energy: -68.735 flat angles P-C4'-P energy: -44.515 tors. eta vs tors. theta energy: -76.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1019.772885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.772885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.772885 (E_RNA) where: Base-Base interactions energy: -711.922 where: short stacking energy: -283.266 Base-Backbone interact. energy: -2.296 local terms energy: -305.554939 where: bonds (distance) C4'-P energy: -45.195 bonds (distance) P-C4' energy: -65.338 flat angles C4'-P-C4' energy: -71.363 flat angles P-C4'-P energy: -49.048 tors. eta vs tors. theta energy: -74.610 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: 8 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -882.122720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.122720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.122720 (E_RNA) where: Base-Base interactions energy: -595.100 where: short stacking energy: -265.744 Base-Backbone interact. energy: -1.668 local terms energy: -285.355157 where: bonds (distance) C4'-P energy: -62.984 bonds (distance) P-C4' energy: -69.110 flat angles C4'-P-C4' energy: -53.489 flat angles P-C4'-P energy: -36.776 tors. eta vs tors. theta energy: -62.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -823.481241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.481241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.481241 (E_RNA) where: Base-Base interactions energy: -538.559 where: short stacking energy: -226.979 Base-Backbone interact. energy: -1.382 local terms energy: -283.540159 where: bonds (distance) C4'-P energy: -59.874 bonds (distance) P-C4' energy: -66.456 flat angles C4'-P-C4' energy: -53.892 flat angles P-C4'-P energy: -46.725 tors. eta vs tors. theta energy: -56.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -746.472014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.472014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.472014 (E_RNA) where: Base-Base interactions energy: -515.659 where: short stacking energy: -212.426 Base-Backbone interact. energy: -0.721 local terms energy: -230.091626 where: bonds (distance) C4'-P energy: -49.026 bonds (distance) P-C4' energy: -50.239 flat angles C4'-P-C4' energy: -59.771 flat angles P-C4'-P energy: -31.139 tors. eta vs tors. theta energy: -39.915 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: 9, replica: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -650.692672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.692672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.692672 (E_RNA) where: Base-Base interactions energy: -433.156 where: short stacking energy: -190.687 Base-Backbone interact. energy: -1.223 local terms energy: -216.313600 where: bonds (distance) C4'-P energy: -49.902 bonds (distance) P-C4' energy: -51.610 flat angles C4'-P-C4' energy: -51.720 flat angles P-C4'-P energy: -38.890 tors. eta vs tors. theta energy: -24.192 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: 10, replica: 2 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -546.970217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.970217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.970217 (E_RNA) where: Base-Base interactions energy: -351.799 where: short stacking energy: -156.344 Base-Backbone interact. energy: 5.992 local terms energy: -201.163876 where: bonds (distance) C4'-P energy: -48.809 bonds (distance) P-C4' energy: -57.125 flat angles C4'-P-C4' energy: -57.901 flat angles P-C4'-P energy: -25.778 tors. eta vs tors. theta energy: -11.551 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: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1231.380150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.380150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.380150 (E_RNA) where: Base-Base interactions energy: -870.452 where: short stacking energy: -365.162 Base-Backbone interact. energy: -3.290 local terms energy: -357.638617 where: bonds (distance) C4'-P energy: -67.501 bonds (distance) P-C4' energy: -63.710 flat angles C4'-P-C4' energy: -77.881 flat angles P-C4'-P energy: -46.670 tors. eta vs tors. theta energy: -101.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1144.383912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.383912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.383912 (E_RNA) where: Base-Base interactions energy: -803.247 where: short stacking energy: -378.289 Base-Backbone interact. energy: -0.617 local terms energy: -340.519459 where: bonds (distance) C4'-P energy: -57.585 bonds (distance) P-C4' energy: -54.868 flat angles C4'-P-C4' energy: -72.955 flat angles P-C4'-P energy: -48.757 tors. eta vs tors. theta energy: -106.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1068.207202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.207202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.207202 (E_RNA) where: Base-Base interactions energy: -741.692 where: short stacking energy: -318.990 Base-Backbone interact. energy: -1.275 local terms energy: -325.241034 where: bonds (distance) C4'-P energy: -55.335 bonds (distance) P-C4' energy: -59.446 flat angles C4'-P-C4' energy: -73.905 flat angles P-C4'-P energy: -49.450 tors. eta vs tors. theta energy: -87.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1001.914934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.914934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.914934 (E_RNA) where: Base-Base interactions energy: -707.883 where: short stacking energy: -291.528 Base-Backbone interact. energy: 1.072 local terms energy: -295.104646 where: bonds (distance) C4'-P energy: -47.948 bonds (distance) P-C4' energy: -62.713 flat angles C4'-P-C4' energy: -63.057 flat angles P-C4'-P energy: -40.269 tors. eta vs tors. theta energy: -81.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -976.070697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.070697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.070697 (E_RNA) where: Base-Base interactions energy: -681.068 where: short stacking energy: -254.807 Base-Backbone interact. energy: -2.528 local terms energy: -292.475274 where: bonds (distance) C4'-P energy: -55.689 bonds (distance) P-C4' energy: -55.522 flat angles C4'-P-C4' energy: -65.422 flat angles P-C4'-P energy: -48.738 tors. eta vs tors. theta energy: -67.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -883.744742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.744742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.744742 (E_RNA) where: Base-Base interactions energy: -603.015 where: short stacking energy: -251.103 Base-Backbone interact. energy: -1.349 local terms energy: -279.380343 where: bonds (distance) C4'-P energy: -54.280 bonds (distance) P-C4' energy: -59.250 flat angles C4'-P-C4' energy: -55.458 flat angles P-C4'-P energy: -47.979 tors. eta vs tors. theta energy: -62.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -825.634120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.634120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.634120 (E_RNA) where: Base-Base interactions energy: -552.849 where: short stacking energy: -243.278 Base-Backbone interact. energy: 0.056 local terms energy: -272.841519 where: bonds (distance) C4'-P energy: -45.593 bonds (distance) P-C4' energy: -63.425 flat angles C4'-P-C4' energy: -63.211 flat angles P-C4'-P energy: -42.010 tors. eta vs tors. theta energy: -58.601 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: 220 Temperature: 1.250000 Total energy: -737.172311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.172311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.172311 (E_RNA) where: Base-Base interactions energy: -490.787 where: short stacking energy: -207.449 Base-Backbone interact. energy: -2.129 local terms energy: -244.255488 where: bonds (distance) C4'-P energy: -59.387 bonds (distance) P-C4' energy: -55.609 flat angles C4'-P-C4' energy: -59.076 flat angles P-C4'-P energy: -39.057 tors. eta vs tors. theta energy: -31.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -632.299167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.299167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.299167 (E_RNA) where: Base-Base interactions energy: -400.899 where: short stacking energy: -188.730 Base-Backbone interact. energy: -0.452 local terms energy: -230.947789 where: bonds (distance) C4'-P energy: -45.544 bonds (distance) P-C4' energy: -56.353 flat angles C4'-P-C4' energy: -56.477 flat angles P-C4'-P energy: -29.672 tors. eta vs tors. theta energy: -42.903 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: 2 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -519.696403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.696403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.696403 (E_RNA) where: Base-Base interactions energy: -316.774 where: short stacking energy: -156.891 Base-Backbone interact. energy: -3.203 local terms energy: -199.719504 where: bonds (distance) C4'-P energy: -48.325 bonds (distance) P-C4' energy: -57.153 flat angles C4'-P-C4' energy: -49.590 flat angles P-C4'-P energy: -26.400 tors. eta vs tors. theta energy: -18.252 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: 10 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1211.888972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.888972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.888972 (E_RNA) where: Base-Base interactions energy: -856.157 where: short stacking energy: -366.339 Base-Backbone interact. energy: -1.296 local terms energy: -354.436598 where: bonds (distance) C4'-P energy: -63.403 bonds (distance) P-C4' energy: -62.406 flat angles C4'-P-C4' energy: -70.472 flat angles P-C4'-P energy: -53.011 tors. eta vs tors. theta energy: -105.145 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: 4 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1155.454467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.454467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.454467 (E_RNA) where: Base-Base interactions energy: -801.842 where: short stacking energy: -352.568 Base-Backbone interact. energy: -1.944 local terms energy: -351.667852 where: bonds (distance) C4'-P energy: -67.522 bonds (distance) P-C4' energy: -57.452 flat angles C4'-P-C4' energy: -73.751 flat angles P-C4'-P energy: -54.188 tors. eta vs tors. theta energy: -98.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1025.564797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.564797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.564797 (E_RNA) where: Base-Base interactions energy: -690.132 where: short stacking energy: -308.251 Base-Backbone interact. energy: -0.462 local terms energy: -334.970736 where: bonds (distance) C4'-P energy: -63.941 bonds (distance) P-C4' energy: -69.657 flat angles C4'-P-C4' energy: -64.838 flat angles P-C4'-P energy: -54.564 tors. eta vs tors. theta energy: -81.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1040.233804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.233804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.233804 (E_RNA) where: Base-Base interactions energy: -718.247 where: short stacking energy: -291.019 Base-Backbone interact. energy: -2.764 local terms energy: -319.222874 where: bonds (distance) C4'-P energy: -62.656 bonds (distance) P-C4' energy: -55.723 flat angles C4'-P-C4' energy: -77.408 flat angles P-C4'-P energy: -41.317 tors. eta vs tors. theta energy: -82.119 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: 5, replica: 6 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -973.950833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.950833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.950833 (E_RNA) where: Base-Base interactions energy: -671.523 where: short stacking energy: -264.884 Base-Backbone interact. energy: -2.318 local terms energy: -300.109741 where: bonds (distance) C4'-P energy: -66.924 bonds (distance) P-C4' energy: -51.040 flat angles C4'-P-C4' energy: -55.891 flat angles P-C4'-P energy: -49.950 tors. eta vs tors. theta energy: -76.305 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: 6, replica: 8 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -868.235874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.235874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.235874 (E_RNA) where: Base-Base interactions energy: -582.421 where: short stacking energy: -251.963 Base-Backbone interact. energy: -0.781 local terms energy: -285.034664 where: bonds (distance) C4'-P energy: -53.180 bonds (distance) P-C4' energy: -56.110 flat angles C4'-P-C4' energy: -60.987 flat angles P-C4'-P energy: -45.531 tors. eta vs tors. theta energy: -69.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -794.524441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.524441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.524441 (E_RNA) where: Base-Base interactions energy: -538.101 where: short stacking energy: -238.998 Base-Backbone interact. energy: 3.493 local terms energy: -259.917039 where: bonds (distance) C4'-P energy: -56.892 bonds (distance) P-C4' energy: -52.435 flat angles C4'-P-C4' energy: -58.848 flat angles P-C4'-P energy: -35.093 tors. eta vs tors. theta energy: -56.648 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: 3 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -723.834628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.834628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.834628 (E_RNA) where: Base-Base interactions energy: -493.954 where: short stacking energy: -220.670 Base-Backbone interact. energy: -0.108 local terms energy: -229.773291 where: bonds (distance) C4'-P energy: -51.552 bonds (distance) P-C4' energy: -53.650 flat angles C4'-P-C4' energy: -56.911 flat angles P-C4'-P energy: -23.745 tors. eta vs tors. theta energy: -43.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -723.686025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.686025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.686025 (E_RNA) where: Base-Base interactions energy: -470.959 where: short stacking energy: -203.047 Base-Backbone interact. energy: -1.283 local terms energy: -251.444173 where: bonds (distance) C4'-P energy: -54.105 bonds (distance) P-C4' energy: -66.017 flat angles C4'-P-C4' energy: -51.606 flat angles P-C4'-P energy: -35.289 tors. eta vs tors. theta energy: -44.427 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: 2 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -547.654537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.654537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.654537 (E_RNA) where: Base-Base interactions energy: -328.519 where: short stacking energy: -159.003 Base-Backbone interact. energy: 0.003 local terms energy: -219.138850 where: bonds (distance) C4'-P energy: -46.565 bonds (distance) P-C4' energy: -65.283 flat angles C4'-P-C4' energy: -40.739 flat angles P-C4'-P energy: -38.071 tors. eta vs tors. theta energy: -28.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1205.949239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.949239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.949239 (E_RNA) where: Base-Base interactions energy: -860.854 where: short stacking energy: -363.856 Base-Backbone interact. energy: -2.041 local terms energy: -343.054125 where: bonds (distance) C4'-P energy: -67.252 bonds (distance) P-C4' energy: -54.634 flat angles C4'-P-C4' energy: -81.547 flat angles P-C4'-P energy: -43.113 tors. eta vs tors. theta energy: -96.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1143.038578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.038578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.038578 (E_RNA) where: Base-Base interactions energy: -788.401 where: short stacking energy: -360.076 Base-Backbone interact. energy: -0.686 local terms energy: -353.951915 where: bonds (distance) C4'-P energy: -67.675 bonds (distance) P-C4' energy: -64.555 flat angles C4'-P-C4' energy: -71.773 flat angles P-C4'-P energy: -41.407 tors. eta vs tors. theta energy: -108.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1025.772548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.772548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.772548 (E_RNA) where: Base-Base interactions energy: -712.528 where: short stacking energy: -325.185 Base-Backbone interact. energy: -0.238 local terms energy: -313.006893 where: bonds (distance) C4'-P energy: -57.103 bonds (distance) P-C4' energy: -60.952 flat angles C4'-P-C4' energy: -67.323 flat angles P-C4'-P energy: -46.118 tors. eta vs tors. theta energy: -81.512 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: 5 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1024.651273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.651273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.651273 (E_RNA) where: Base-Base interactions energy: -730.556 where: short stacking energy: -292.713 Base-Backbone interact. energy: -0.660 local terms energy: -293.435165 where: bonds (distance) C4'-P energy: -53.467 bonds (distance) P-C4' energy: -55.292 flat angles C4'-P-C4' energy: -69.475 flat angles P-C4'-P energy: -47.587 tors. eta vs tors. theta energy: -67.614 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: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -980.290978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.290978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.290978 (E_RNA) where: Base-Base interactions energy: -695.730 where: short stacking energy: -277.575 Base-Backbone interact. energy: 2.762 local terms energy: -287.323147 where: bonds (distance) C4'-P energy: -59.432 bonds (distance) P-C4' energy: -50.447 flat angles C4'-P-C4' energy: -67.937 flat angles P-C4'-P energy: -39.891 tors. eta vs tors. theta energy: -69.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -904.568530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.568530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.568530 (E_RNA) where: Base-Base interactions energy: -621.384 where: short stacking energy: -270.612 Base-Backbone interact. energy: -1.725 local terms energy: -281.459984 where: bonds (distance) C4'-P energy: -59.856 bonds (distance) P-C4' energy: -55.742 flat angles C4'-P-C4' energy: -64.265 flat angles P-C4'-P energy: -37.414 tors. eta vs tors. theta energy: -64.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -789.088831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.088831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.088831 (E_RNA) where: Base-Base interactions energy: -527.917 where: short stacking energy: -251.046 Base-Backbone interact. energy: -0.745 local terms energy: -260.427350 where: bonds (distance) C4'-P energy: -52.460 bonds (distance) P-C4' energy: -51.067 flat angles C4'-P-C4' energy: -62.360 flat angles P-C4'-P energy: -41.610 tors. eta vs tors. theta energy: -52.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -784.815992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.815992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.815992 (E_RNA) where: Base-Base interactions energy: -546.887 where: short stacking energy: -242.319 Base-Backbone interact. energy: -1.617 local terms energy: -236.311398 where: bonds (distance) C4'-P energy: -35.828 bonds (distance) P-C4' energy: -54.962 flat angles C4'-P-C4' energy: -59.616 flat angles P-C4'-P energy: -35.839 tors. eta vs tors. theta energy: -50.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -767.327019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.327019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.327019 (E_RNA) where: Base-Base interactions energy: -514.636 where: short stacking energy: -235.713 Base-Backbone interact. energy: 0.046 local terms energy: -252.736462 where: bonds (distance) C4'-P energy: -60.347 bonds (distance) P-C4' energy: -54.546 flat angles C4'-P-C4' energy: -48.979 flat angles P-C4'-P energy: -31.214 tors. eta vs tors. theta energy: -57.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -554.987893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.987893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.987893 (E_RNA) where: Base-Base interactions energy: -351.898 where: short stacking energy: -159.942 Base-Backbone interact. energy: 0.082 local terms energy: -203.171698 where: bonds (distance) C4'-P energy: -50.738 bonds (distance) P-C4' energy: -49.537 flat angles C4'-P-C4' energy: -42.947 flat angles P-C4'-P energy: -36.643 tors. eta vs tors. theta energy: -23.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1178.579983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.579983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.579983 (E_RNA) where: Base-Base interactions energy: -838.301 where: short stacking energy: -355.958 Base-Backbone interact. energy: 6.862 local terms energy: -347.141229 where: bonds (distance) C4'-P energy: -67.136 bonds (distance) P-C4' energy: -67.890 flat angles C4'-P-C4' energy: -72.861 flat angles P-C4'-P energy: -44.425 tors. eta vs tors. theta energy: -94.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1159.270113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.270113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.270113 (E_RNA) where: Base-Base interactions energy: -812.276 where: short stacking energy: -376.697 Base-Backbone interact. energy: -0.979 local terms energy: -346.015581 where: bonds (distance) C4'-P energy: -55.348 bonds (distance) P-C4' energy: -59.156 flat angles C4'-P-C4' energy: -71.506 flat angles P-C4'-P energy: -51.075 tors. eta vs tors. theta energy: -108.931 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: 1 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1038.707330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.707330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.707330 (E_RNA) where: Base-Base interactions energy: -727.336 where: short stacking energy: -304.086 Base-Backbone interact. energy: -2.150 local terms energy: -309.221179 where: bonds (distance) C4'-P energy: -54.509 bonds (distance) P-C4' energy: -59.087 flat angles C4'-P-C4' energy: -69.778 flat angles P-C4'-P energy: -43.426 tors. eta vs tors. theta energy: -82.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1042.200994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.200994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.200994 (E_RNA) where: Base-Base interactions energy: -754.374 where: short stacking energy: -336.036 Base-Backbone interact. energy: -0.857 local terms energy: -286.970635 where: bonds (distance) C4'-P energy: -50.479 bonds (distance) P-C4' energy: -63.478 flat angles C4'-P-C4' energy: -60.129 flat angles P-C4'-P energy: -34.928 tors. eta vs tors. theta energy: -77.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -961.105449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.105449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.105449 (E_RNA) where: Base-Base interactions energy: -677.394 where: short stacking energy: -288.062 Base-Backbone interact. energy: -0.453 local terms energy: -283.258905 where: bonds (distance) C4'-P energy: -55.160 bonds (distance) P-C4' energy: -57.656 flat angles C4'-P-C4' energy: -62.505 flat angles P-C4'-P energy: -41.398 tors. eta vs tors. theta energy: -66.540 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: 8 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -910.674844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.674844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.674844 (E_RNA) where: Base-Base interactions energy: -625.076 where: short stacking energy: -262.252 Base-Backbone interact. energy: -0.072 local terms energy: -285.526883 where: bonds (distance) C4'-P energy: -46.892 bonds (distance) P-C4' energy: -58.795 flat angles C4'-P-C4' energy: -63.683 flat angles P-C4'-P energy: -41.483 tors. eta vs tors. theta energy: -74.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -790.556505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.556505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.556505 (E_RNA) where: Base-Base interactions energy: -520.029 where: short stacking energy: -230.451 Base-Backbone interact. energy: -1.503 local terms energy: -269.023986 where: bonds (distance) C4'-P energy: -63.311 bonds (distance) P-C4' energy: -63.329 flat angles C4'-P-C4' energy: -60.842 flat angles P-C4'-P energy: -33.718 tors. eta vs tors. theta energy: -47.824 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: 7 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -783.147516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.147516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.147516 (E_RNA) where: Base-Base interactions energy: -533.320 where: short stacking energy: -241.853 Base-Backbone interact. energy: -0.913 local terms energy: -248.915067 where: bonds (distance) C4'-P energy: -51.105 bonds (distance) P-C4' energy: -55.598 flat angles C4'-P-C4' energy: -49.083 flat angles P-C4'-P energy: -34.745 tors. eta vs tors. theta energy: -58.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -791.619356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.619356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.619356 (E_RNA) where: Base-Base interactions energy: -562.594 where: short stacking energy: -245.569 Base-Backbone interact. energy: -0.356 local terms energy: -228.668910 where: bonds (distance) C4'-P energy: -47.660 bonds (distance) P-C4' energy: -41.541 flat angles C4'-P-C4' energy: -64.720 flat angles P-C4'-P energy: -27.639 tors. eta vs tors. theta energy: -47.109 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: 2 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -565.842059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.842059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.842059 (E_RNA) where: Base-Base interactions energy: -335.544 where: short stacking energy: -154.122 Base-Backbone interact. energy: 2.266 local terms energy: -232.564542 where: bonds (distance) C4'-P energy: -58.650 bonds (distance) P-C4' energy: -58.903 flat angles C4'-P-C4' energy: -53.202 flat angles P-C4'-P energy: -32.161 tors. eta vs tors. theta energy: -29.649 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: 10 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1204.637743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.637743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.637743 (E_RNA) where: Base-Base interactions energy: -852.193 where: short stacking energy: -360.141 Base-Backbone interact. energy: -2.960 local terms energy: -349.484347 where: bonds (distance) C4'-P energy: -67.538 bonds (distance) P-C4' energy: -59.144 flat angles C4'-P-C4' energy: -72.953 flat angles P-C4'-P energy: -52.513 tors. eta vs tors. theta energy: -97.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1148.579130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.579130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.579130 (E_RNA) where: Base-Base interactions energy: -804.828 where: short stacking energy: -361.590 Base-Backbone interact. energy: -0.670 local terms energy: -343.081468 where: bonds (distance) C4'-P energy: -62.366 bonds (distance) P-C4' energy: -59.961 flat angles C4'-P-C4' energy: -68.188 flat angles P-C4'-P energy: -49.435 tors. eta vs tors. theta energy: -103.132 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: 1 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1037.090458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.090458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.090458 (E_RNA) where: Base-Base interactions energy: -717.598 where: short stacking energy: -308.158 Base-Backbone interact. energy: -2.680 local terms energy: -316.812590 where: bonds (distance) C4'-P energy: -57.392 bonds (distance) P-C4' energy: -65.087 flat angles C4'-P-C4' energy: -58.789 flat angles P-C4'-P energy: -48.346 tors. eta vs tors. theta energy: -87.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1007.388011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.388011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.388011 (E_RNA) where: Base-Base interactions energy: -712.502 where: short stacking energy: -303.641 Base-Backbone interact. energy: -1.174 local terms energy: -293.711577 where: bonds (distance) C4'-P energy: -49.467 bonds (distance) P-C4' energy: -51.107 flat angles C4'-P-C4' energy: -71.331 flat angles P-C4'-P energy: -41.647 tors. eta vs tors. theta energy: -80.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -938.307512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.307512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.307512 (E_RNA) where: Base-Base interactions energy: -642.323 where: short stacking energy: -249.035 Base-Backbone interact. energy: -1.778 local terms energy: -294.206483 where: bonds (distance) C4'-P energy: -63.386 bonds (distance) P-C4' energy: -72.184 flat angles C4'-P-C4' energy: -59.325 flat angles P-C4'-P energy: -36.495 tors. eta vs tors. theta energy: -62.816 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: 8 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -894.392429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.392429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.392429 (E_RNA) where: Base-Base interactions energy: -592.120 where: short stacking energy: -264.762 Base-Backbone interact. energy: -2.372 local terms energy: -299.900279 where: bonds (distance) C4'-P energy: -58.964 bonds (distance) P-C4' energy: -63.148 flat angles C4'-P-C4' energy: -62.536 flat angles P-C4'-P energy: -47.423 tors. eta vs tors. theta energy: -67.830 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: 7 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -784.458324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.458324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.458324 (E_RNA) where: Base-Base interactions energy: -527.895 where: short stacking energy: -239.625 Base-Backbone interact. energy: -0.004 local terms energy: -256.559794 where: bonds (distance) C4'-P energy: -51.151 bonds (distance) P-C4' energy: -61.244 flat angles C4'-P-C4' energy: -58.916 flat angles P-C4'-P energy: -35.142 tors. eta vs tors. theta energy: -50.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -781.243142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.243142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.243142 (E_RNA) where: Base-Base interactions energy: -531.154 where: short stacking energy: -226.819 Base-Backbone interact. energy: -1.157 local terms energy: -248.932177 where: bonds (distance) C4'-P energy: -39.686 bonds (distance) P-C4' energy: -62.509 flat angles C4'-P-C4' energy: -61.712 flat angles P-C4'-P energy: -35.811 tors. eta vs tors. theta energy: -49.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -785.286524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.286524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.286524 (E_RNA) where: Base-Base interactions energy: -544.076 where: short stacking energy: -241.145 Base-Backbone interact. energy: 1.391 local terms energy: -242.601513 where: bonds (distance) C4'-P energy: -51.973 bonds (distance) P-C4' energy: -57.090 flat angles C4'-P-C4' energy: -54.208 flat angles P-C4'-P energy: -32.464 tors. eta vs tors. theta energy: -46.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -544.178469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.178469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.178469 (E_RNA) where: Base-Base interactions energy: -341.579 where: short stacking energy: -144.762 Base-Backbone interact. energy: -1.137 local terms energy: -201.462261 where: bonds (distance) C4'-P energy: -38.394 bonds (distance) P-C4' energy: -58.983 flat angles C4'-P-C4' energy: -45.356 flat angles P-C4'-P energy: -29.012 tors. eta vs tors. theta energy: -29.717 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: 10 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1196.879871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.879871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.879871 (E_RNA) where: Base-Base interactions energy: -836.864 where: short stacking energy: -358.901 Base-Backbone interact. energy: -3.445 local terms energy: -356.571065 where: bonds (distance) C4'-P energy: -61.999 bonds (distance) P-C4' energy: -68.161 flat angles C4'-P-C4' energy: -73.734 flat angles P-C4'-P energy: -57.400 tors. eta vs tors. theta energy: -95.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1166.675554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.675554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.675554 (E_RNA) where: Base-Base interactions energy: -816.465 where: short stacking energy: -382.106 Base-Backbone interact. energy: -0.904 local terms energy: -349.306448 where: bonds (distance) C4'-P energy: -64.417 bonds (distance) P-C4' energy: -64.040 flat angles C4'-P-C4' energy: -70.201 flat angles P-C4'-P energy: -48.621 tors. eta vs tors. theta energy: -102.027 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: 1 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1038.927323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.927323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.927323 (E_RNA) where: Base-Base interactions energy: -723.680 where: short stacking energy: -306.767 Base-Backbone interact. energy: -0.014 local terms energy: -315.233711 where: bonds (distance) C4'-P energy: -56.985 bonds (distance) P-C4' energy: -63.546 flat angles C4'-P-C4' energy: -65.424 flat angles P-C4'-P energy: -48.328 tors. eta vs tors. theta energy: -80.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1012.271223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.271223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.271223 (E_RNA) where: Base-Base interactions energy: -706.822 where: short stacking energy: -312.528 Base-Backbone interact. energy: -0.188 local terms energy: -305.260805 where: bonds (distance) C4'-P energy: -61.860 bonds (distance) P-C4' energy: -56.562 flat angles C4'-P-C4' energy: -63.816 flat angles P-C4'-P energy: -43.111 tors. eta vs tors. theta energy: -79.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -938.721467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.721467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.721467 (E_RNA) where: Base-Base interactions energy: -648.498 where: short stacking energy: -263.356 Base-Backbone interact. energy: 1.191 local terms energy: -291.414996 where: bonds (distance) C4'-P energy: -61.195 bonds (distance) P-C4' energy: -50.157 flat angles C4'-P-C4' energy: -58.415 flat angles P-C4'-P energy: -57.042 tors. eta vs tors. theta energy: -64.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -923.754781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.754781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.754781 (E_RNA) where: Base-Base interactions energy: -620.256 where: short stacking energy: -298.070 Base-Backbone interact. energy: -2.012 local terms energy: -301.487184 where: bonds (distance) C4'-P energy: -65.450 bonds (distance) P-C4' energy: -53.519 flat angles C4'-P-C4' energy: -60.980 flat angles P-C4'-P energy: -37.689 tors. eta vs tors. theta energy: -83.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -835.004936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.004936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.004936 (E_RNA) where: Base-Base interactions energy: -545.670 where: short stacking energy: -228.826 Base-Backbone interact. energy: -2.944 local terms energy: -286.390836 where: bonds (distance) C4'-P energy: -60.778 bonds (distance) P-C4' energy: -72.494 flat angles C4'-P-C4' energy: -63.618 flat angles P-C4'-P energy: -33.072 tors. eta vs tors. theta energy: -56.429 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: 9 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -796.848867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.848867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.848867 (E_RNA) where: Base-Base interactions energy: -547.630 where: short stacking energy: -242.660 Base-Backbone interact. energy: 0.518 local terms energy: -249.737755 where: bonds (distance) C4'-P energy: -47.881 bonds (distance) P-C4' energy: -53.902 flat angles C4'-P-C4' energy: -51.224 flat angles P-C4'-P energy: -41.334 tors. eta vs tors. theta energy: -55.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -764.167777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.167777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.167777 (E_RNA) where: Base-Base interactions energy: -526.987 where: short stacking energy: -231.518 Base-Backbone interact. energy: -1.115 local terms energy: -236.066173 where: bonds (distance) C4'-P energy: -52.577 bonds (distance) P-C4' energy: -57.120 flat angles C4'-P-C4' energy: -45.854 flat angles P-C4'-P energy: -31.852 tors. eta vs tors. theta energy: -48.664 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: 2 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -597.895829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.895829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.895829 (E_RNA) where: Base-Base interactions energy: -369.587 where: short stacking energy: -167.557 Base-Backbone interact. energy: -0.487 local terms energy: -227.822600 where: bonds (distance) C4'-P energy: -57.995 bonds (distance) P-C4' energy: -67.514 flat angles C4'-P-C4' energy: -50.310 flat angles P-C4'-P energy: -31.750 tors. eta vs tors. theta energy: -20.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1190.182065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.182065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.182065 (E_RNA) where: Base-Base interactions energy: -842.001 where: short stacking energy: -383.118 Base-Backbone interact. energy: 1.312 local terms energy: -349.493192 where: bonds (distance) C4'-P energy: -64.640 bonds (distance) P-C4' energy: -58.644 flat angles C4'-P-C4' energy: -70.272 flat angles P-C4'-P energy: -42.593 tors. eta vs tors. theta energy: -113.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1171.649153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.649153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.649153 (E_RNA) where: Base-Base interactions energy: -836.203 where: short stacking energy: -338.174 Base-Backbone interact. energy: -1.463 local terms energy: -333.982779 where: bonds (distance) C4'-P energy: -57.529 bonds (distance) P-C4' energy: -64.732 flat angles C4'-P-C4' energy: -70.417 flat angles P-C4'-P energy: -51.814 tors. eta vs tors. theta energy: -89.491 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: 226 Temperature: 1.000000 Total energy: -1057.204968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.204968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.204968 (E_RNA) where: Base-Base interactions energy: -748.907 where: short stacking energy: -333.497 Base-Backbone interact. energy: -1.217 local terms energy: -307.081122 where: bonds (distance) C4'-P energy: -59.773 bonds (distance) P-C4' energy: -62.347 flat angles C4'-P-C4' energy: -62.687 flat angles P-C4'-P energy: -37.287 tors. eta vs tors. theta energy: -84.987 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: 1 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1021.961530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.961530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.961530 (E_RNA) where: Base-Base interactions energy: -718.627 where: short stacking energy: -300.506 Base-Backbone interact. energy: -0.948 local terms energy: -302.386633 where: bonds (distance) C4'-P energy: -56.556 bonds (distance) P-C4' energy: -62.474 flat angles C4'-P-C4' energy: -70.085 flat angles P-C4'-P energy: -36.959 tors. eta vs tors. theta energy: -76.313 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: 226 Temperature: 1.100000 Total energy: -960.945033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.945033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.945033 (E_RNA) where: Base-Base interactions energy: -680.176 where: short stacking energy: -277.938 Base-Backbone interact. energy: -2.686 local terms energy: -278.082947 where: bonds (distance) C4'-P energy: -58.470 bonds (distance) P-C4' energy: -49.440 flat angles C4'-P-C4' energy: -61.952 flat angles P-C4'-P energy: -44.917 tors. eta vs tors. theta energy: -63.304 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: 8 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -922.093871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.093871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.093871 (E_RNA) where: Base-Base interactions energy: -630.744 where: short stacking energy: -282.011 Base-Backbone interact. energy: -1.412 local terms energy: -289.937212 where: bonds (distance) C4'-P energy: -54.354 bonds (distance) P-C4' energy: -66.884 flat angles C4'-P-C4' energy: -58.567 flat angles P-C4'-P energy: -39.105 tors. eta vs tors. theta energy: -71.027 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: 7 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -846.169402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.169402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.169402 (E_RNA) where: Base-Base interactions energy: -580.474 where: short stacking energy: -251.034 Base-Backbone interact. energy: 0.183 local terms energy: -265.878090 where: bonds (distance) C4'-P energy: -41.415 bonds (distance) P-C4' energy: -54.929 flat angles C4'-P-C4' energy: -65.130 flat angles P-C4'-P energy: -45.180 tors. eta vs tors. theta energy: -59.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -797.337782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.337782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.337782 (E_RNA) where: Base-Base interactions energy: -560.414 where: short stacking energy: -217.942 Base-Backbone interact. energy: -1.744 local terms energy: -235.179375 where: bonds (distance) C4'-P energy: -45.461 bonds (distance) P-C4' energy: -54.295 flat angles C4'-P-C4' energy: -53.743 flat angles P-C4'-P energy: -35.720 tors. eta vs tors. theta energy: -45.960 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: 226 Temperature: 1.300000 Total energy: -681.977845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.977845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.977845 (E_RNA) where: Base-Base interactions energy: -455.937 where: short stacking energy: -206.394 Base-Backbone interact. energy: -0.680 local terms energy: -225.360572 where: bonds (distance) C4'-P energy: -43.594 bonds (distance) P-C4' energy: -51.909 flat angles C4'-P-C4' energy: -56.618 flat angles P-C4'-P energy: -33.802 tors. eta vs tors. theta energy: -39.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -583.842650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.842650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.842650 (E_RNA) where: Base-Base interactions energy: -363.458 where: short stacking energy: -194.922 Base-Backbone interact. energy: -1.114 local terms energy: -219.269777 where: bonds (distance) C4'-P energy: -52.666 bonds (distance) P-C4' energy: -49.707 flat angles C4'-P-C4' energy: -52.538 flat angles P-C4'-P energy: -27.347 tors. eta vs tors. theta energy: -37.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1195.592143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.592143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.592143 (E_RNA) where: Base-Base interactions energy: -822.248 where: short stacking energy: -385.744 Base-Backbone interact. energy: -0.412 local terms energy: -372.932137 where: bonds (distance) C4'-P energy: -70.134 bonds (distance) P-C4' energy: -66.068 flat angles C4'-P-C4' energy: -76.634 flat angles P-C4'-P energy: -49.103 tors. eta vs tors. theta energy: -110.992 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: 10 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1191.060023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.060023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.060023 (E_RNA) where: Base-Base interactions energy: -853.164 where: short stacking energy: -356.863 Base-Backbone interact. energy: -1.353 local terms energy: -336.543035 where: bonds (distance) C4'-P energy: -62.385 bonds (distance) P-C4' energy: -62.866 flat angles C4'-P-C4' energy: -70.130 flat angles P-C4'-P energy: -46.641 tors. eta vs tors. theta energy: -94.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1083.117173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.117173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.117173 (E_RNA) where: Base-Base interactions energy: -752.674 where: short stacking energy: -338.793 Base-Backbone interact. energy: 4.467 local terms energy: -334.909496 where: bonds (distance) C4'-P energy: -47.791 bonds (distance) P-C4' energy: -65.246 flat angles C4'-P-C4' energy: -69.463 flat angles P-C4'-P energy: -55.261 tors. eta vs tors. theta energy: -97.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1002.606314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.606314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.606314 (E_RNA) where: Base-Base interactions energy: -687.671 where: short stacking energy: -284.392 Base-Backbone interact. energy: -0.831 local terms energy: -314.103867 where: bonds (distance) C4'-P energy: -66.583 bonds (distance) P-C4' energy: -63.718 flat angles C4'-P-C4' energy: -64.919 flat angles P-C4'-P energy: -49.598 tors. eta vs tors. theta energy: -69.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -974.420390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.420390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.420390 (E_RNA) where: Base-Base interactions energy: -653.586 where: short stacking energy: -289.810 Base-Backbone interact. energy: -1.697 local terms energy: -319.137892 where: bonds (distance) C4'-P energy: -59.778 bonds (distance) P-C4' energy: -64.096 flat angles C4'-P-C4' energy: -70.702 flat angles P-C4'-P energy: -45.640 tors. eta vs tors. theta energy: -78.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -932.263816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.263816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.263816 (E_RNA) where: Base-Base interactions energy: -643.375 where: short stacking energy: -274.836 Base-Backbone interact. energy: -0.837 local terms energy: -288.052054 where: bonds (distance) C4'-P energy: -63.883 bonds (distance) P-C4' energy: -56.530 flat angles C4'-P-C4' energy: -59.799 flat angles P-C4'-P energy: -37.661 tors. eta vs tors. theta energy: -70.180 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: 227 Temperature: 1.200000 Total energy: -805.742196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.742196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.742196 (E_RNA) where: Base-Base interactions energy: -565.546 where: short stacking energy: -264.967 Base-Backbone interact. energy: 0.035 local terms energy: -240.230765 where: bonds (distance) C4'-P energy: -42.316 bonds (distance) P-C4' energy: -47.842 flat angles C4'-P-C4' energy: -54.935 flat angles P-C4'-P energy: -35.795 tors. eta vs tors. theta energy: -59.342 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: 9 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -797.227546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.227546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.227546 (E_RNA) where: Base-Base interactions energy: -543.516 where: short stacking energy: -237.647 Base-Backbone interact. energy: -1.483 local terms energy: -252.228355 where: bonds (distance) C4'-P energy: -48.363 bonds (distance) P-C4' energy: -59.080 flat angles C4'-P-C4' energy: -56.288 flat angles P-C4'-P energy: -43.181 tors. eta vs tors. theta energy: -45.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -698.965854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.965854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.965854 (E_RNA) where: Base-Base interactions energy: -483.997 where: short stacking energy: -219.761 Base-Backbone interact. energy: -0.401 local terms energy: -214.567362 where: bonds (distance) C4'-P energy: -31.398 bonds (distance) P-C4' energy: -52.268 flat angles C4'-P-C4' energy: -48.105 flat angles P-C4'-P energy: -32.632 tors. eta vs tors. theta energy: -50.164 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: 2 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -553.435191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.435191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.435191 (E_RNA) where: Base-Base interactions energy: -350.459 where: short stacking energy: -166.712 Base-Backbone interact. energy: 2.576 local terms energy: -205.552673 where: bonds (distance) C4'-P energy: -49.568 bonds (distance) P-C4' energy: -43.943 flat angles C4'-P-C4' energy: -50.991 flat angles P-C4'-P energy: -28.318 tors. eta vs tors. theta energy: -32.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1198.509027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.509027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.509027 (E_RNA) where: Base-Base interactions energy: -839.030 where: short stacking energy: -345.978 Base-Backbone interact. energy: 0.608 local terms energy: -360.086514 where: bonds (distance) C4'-P energy: -63.209 bonds (distance) P-C4' energy: -73.072 flat angles C4'-P-C4' energy: -75.180 flat angles P-C4'-P energy: -53.194 tors. eta vs tors. theta energy: -95.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1175.707732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.707732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.707732 (E_RNA) where: Base-Base interactions energy: -817.229 where: short stacking energy: -365.570 Base-Backbone interact. energy: -2.573 local terms energy: -355.905037 where: bonds (distance) C4'-P energy: -57.783 bonds (distance) P-C4' energy: -68.629 flat angles C4'-P-C4' energy: -65.433 flat angles P-C4'-P energy: -52.661 tors. eta vs tors. theta energy: -111.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1065.246689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.246689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.246689 (E_RNA) where: Base-Base interactions energy: -734.105 where: short stacking energy: -329.138 Base-Backbone interact. energy: -0.929 local terms energy: -330.212658 where: bonds (distance) C4'-P energy: -62.002 bonds (distance) P-C4' energy: -64.923 flat angles C4'-P-C4' energy: -72.349 flat angles P-C4'-P energy: -41.592 tors. eta vs tors. theta energy: -89.346 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: 228 Temperature: 1.050000 Total energy: -996.669211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.669211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.669211 (E_RNA) where: Base-Base interactions energy: -683.189 where: short stacking energy: -299.081 Base-Backbone interact. energy: 0.097 local terms energy: -313.577572 where: bonds (distance) C4'-P energy: -58.937 bonds (distance) P-C4' energy: -60.429 flat angles C4'-P-C4' energy: -72.069 flat angles P-C4'-P energy: -43.191 tors. eta vs tors. theta energy: -78.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -951.409265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.409265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.409265 (E_RNA) where: Base-Base interactions energy: -659.662 where: short stacking energy: -280.881 Base-Backbone interact. energy: -2.728 local terms energy: -289.018814 where: bonds (distance) C4'-P energy: -48.590 bonds (distance) P-C4' energy: -69.952 flat angles C4'-P-C4' energy: -60.450 flat angles P-C4'-P energy: -42.919 tors. eta vs tors. theta energy: -67.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -918.622048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.622048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.622048 (E_RNA) where: Base-Base interactions energy: -646.912 where: short stacking energy: -293.841 Base-Backbone interact. energy: -1.502 local terms energy: -270.208262 where: bonds (distance) C4'-P energy: -43.712 bonds (distance) P-C4' energy: -59.693 flat angles C4'-P-C4' energy: -58.989 flat angles P-C4'-P energy: -38.853 tors. eta vs tors. theta energy: -68.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -805.800091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.800091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.800091 (E_RNA) where: Base-Base interactions energy: -550.759 where: short stacking energy: -235.833 Base-Backbone interact. energy: 1.681 local terms energy: -256.721190 where: bonds (distance) C4'-P energy: -61.132 bonds (distance) P-C4' energy: -53.452 flat angles C4'-P-C4' energy: -60.444 flat angles P-C4'-P energy: -35.566 tors. eta vs tors. theta energy: -46.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -797.652833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.652833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.652833 (E_RNA) where: Base-Base interactions energy: -549.872 where: short stacking energy: -235.893 Base-Backbone interact. energy: 1.875 local terms energy: -249.655736 where: bonds (distance) C4'-P energy: -53.145 bonds (distance) P-C4' energy: -63.549 flat angles C4'-P-C4' energy: -52.329 flat angles P-C4'-P energy: -33.409 tors. eta vs tors. theta energy: -47.223 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: 9, replica: 3 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -675.005489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.005489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.005489 (E_RNA) where: Base-Base interactions energy: -446.403 where: short stacking energy: -197.884 Base-Backbone interact. energy: 0.946 local terms energy: -229.548789 where: bonds (distance) C4'-P energy: -44.060 bonds (distance) P-C4' energy: -58.196 flat angles C4'-P-C4' energy: -55.854 flat angles P-C4'-P energy: -33.988 tors. eta vs tors. theta energy: -37.450 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: 10, replica: 2 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -486.188489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.188489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.188489 (E_RNA) where: Base-Base interactions energy: -306.666 where: short stacking energy: -145.371 Base-Backbone interact. energy: 0.328 local terms energy: -179.851019 where: bonds (distance) C4'-P energy: -45.091 bonds (distance) P-C4' energy: -48.661 flat angles C4'-P-C4' energy: -43.617 flat angles P-C4'-P energy: -36.639 tors. eta vs tors. theta energy: -5.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1213.653863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.653863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.653863 (E_RNA) where: Base-Base interactions energy: -840.710 where: short stacking energy: -349.409 Base-Backbone interact. energy: 0.833 local terms energy: -373.776479 where: bonds (distance) C4'-P energy: -65.862 bonds (distance) P-C4' energy: -68.113 flat angles C4'-P-C4' energy: -80.810 flat angles P-C4'-P energy: -60.162 tors. eta vs tors. theta energy: -98.830 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: 4 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1163.659995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.659995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.659995 (E_RNA) where: Base-Base interactions energy: -798.200 where: short stacking energy: -372.993 Base-Backbone interact. energy: -2.122 local terms energy: -363.338492 where: bonds (distance) C4'-P energy: -63.630 bonds (distance) P-C4' energy: -65.017 flat angles C4'-P-C4' energy: -77.648 flat angles P-C4'-P energy: -48.949 tors. eta vs tors. theta energy: -108.095 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: 5 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1103.752995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.752995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.752995 (E_RNA) where: Base-Base interactions energy: -760.712 where: short stacking energy: -334.044 Base-Backbone interact. energy: -2.072 local terms energy: -340.969200 where: bonds (distance) C4'-P energy: -62.896 bonds (distance) P-C4' energy: -60.735 flat angles C4'-P-C4' energy: -70.703 flat angles P-C4'-P energy: -55.290 tors. eta vs tors. theta energy: -91.345 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: 1 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -988.661122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.661122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.661122 (E_RNA) where: Base-Base interactions energy: -699.798 where: short stacking energy: -295.770 Base-Backbone interact. energy: -2.402 local terms energy: -286.460949 where: bonds (distance) C4'-P energy: -51.706 bonds (distance) P-C4' energy: -55.581 flat angles C4'-P-C4' energy: -68.375 flat angles P-C4'-P energy: -42.288 tors. eta vs tors. theta energy: -68.510 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: 5, replica: 6 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -991.418607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.418607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.418607 (E_RNA) where: Base-Base interactions energy: -704.137 where: short stacking energy: -286.671 Base-Backbone interact. energy: -1.491 local terms energy: -285.790617 where: bonds (distance) C4'-P energy: -53.792 bonds (distance) P-C4' energy: -46.813 flat angles C4'-P-C4' energy: -63.295 flat angles P-C4'-P energy: -45.256 tors. eta vs tors. theta energy: -76.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -927.953029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.953029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.953029 (E_RNA) where: Base-Base interactions energy: -620.150 where: short stacking energy: -274.127 Base-Backbone interact. energy: -1.105 local terms energy: -306.698042 where: bonds (distance) C4'-P energy: -64.212 bonds (distance) P-C4' energy: -62.183 flat angles C4'-P-C4' energy: -67.689 flat angles P-C4'-P energy: -39.237 tors. eta vs tors. theta energy: -73.378 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: 7 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -773.226184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.226184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.226184 (E_RNA) where: Base-Base interactions energy: -504.937 where: short stacking energy: -237.590 Base-Backbone interact. energy: -1.965 local terms energy: -266.323937 where: bonds (distance) C4'-P energy: -49.179 bonds (distance) P-C4' energy: -62.975 flat angles C4'-P-C4' energy: -59.418 flat angles P-C4'-P energy: -41.094 tors. eta vs tors. theta energy: -53.658 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: 8, replica: 9 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -878.377236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.377236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.377236 (E_RNA) where: Base-Base interactions energy: -634.492 where: short stacking energy: -270.920 Base-Backbone interact. energy: 2.134 local terms energy: -246.019561 where: bonds (distance) C4'-P energy: -51.258 bonds (distance) P-C4' energy: -39.299 flat angles C4'-P-C4' energy: -51.728 flat angles P-C4'-P energy: -28.036 tors. eta vs tors. theta energy: -75.699 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: 229 Temperature: 1.300000 Total energy: -683.328104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.328104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.328104 (E_RNA) where: Base-Base interactions energy: -442.065 where: short stacking energy: -208.765 Base-Backbone interact. energy: -0.821 local terms energy: -240.442017 where: bonds (distance) C4'-P energy: -48.613 bonds (distance) P-C4' energy: -56.645 flat angles C4'-P-C4' energy: -59.035 flat angles P-C4'-P energy: -28.650 tors. eta vs tors. theta energy: -47.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -450.323325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.323325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.323325 (E_RNA) where: Base-Base interactions energy: -259.443 where: short stacking energy: -134.020 Base-Backbone interact. energy: -2.347 local terms energy: -188.533767 where: bonds (distance) C4'-P energy: -41.244 bonds (distance) P-C4' energy: -58.561 flat angles C4'-P-C4' energy: -45.532 flat angles P-C4'-P energy: -27.678 tors. eta vs tors. theta energy: -15.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1210.477720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.477720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.477720 (E_RNA) where: Base-Base interactions energy: -859.461 where: short stacking energy: -360.443 Base-Backbone interact. energy: 0.619 local terms energy: -351.635891 where: bonds (distance) C4'-P energy: -65.915 bonds (distance) P-C4' energy: -64.191 flat angles C4'-P-C4' energy: -75.262 flat angles P-C4'-P energy: -51.391 tors. eta vs tors. theta energy: -94.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1169.560351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.560351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.560351 (E_RNA) where: Base-Base interactions energy: -800.526 where: short stacking energy: -357.509 Base-Backbone interact. energy: -0.488 local terms energy: -368.546463 where: bonds (distance) C4'-P energy: -61.778 bonds (distance) P-C4' energy: -71.207 flat angles C4'-P-C4' energy: -70.139 flat angles P-C4'-P energy: -55.303 tors. eta vs tors. theta energy: -110.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1056.941407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.941407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.941407 (E_RNA) where: Base-Base interactions energy: -721.232 where: short stacking energy: -299.994 Base-Backbone interact. energy: -3.249 local terms energy: -332.461130 where: bonds (distance) C4'-P energy: -60.700 bonds (distance) P-C4' energy: -65.616 flat angles C4'-P-C4' energy: -73.834 flat angles P-C4'-P energy: -49.922 tors. eta vs tors. theta energy: -82.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1010.973411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.973411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.973411 (E_RNA) where: Base-Base interactions energy: -683.451 where: short stacking energy: -305.600 Base-Backbone interact. energy: -2.772 local terms energy: -324.750601 where: bonds (distance) C4'-P energy: -63.504 bonds (distance) P-C4' energy: -60.901 flat angles C4'-P-C4' energy: -73.939 flat angles P-C4'-P energy: -49.826 tors. eta vs tors. theta energy: -76.580 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: 6 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -978.422810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.422810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.422810 (E_RNA) where: Base-Base interactions energy: -675.560 where: short stacking energy: -289.633 Base-Backbone interact. energy: -0.798 local terms energy: -302.064776 where: bonds (distance) C4'-P energy: -56.214 bonds (distance) P-C4' energy: -60.367 flat angles C4'-P-C4' energy: -66.643 flat angles P-C4'-P energy: -39.778 tors. eta vs tors. theta energy: -79.063 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: 8 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -945.250878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.250878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.250878 (E_RNA) where: Base-Base interactions energy: -653.959 where: short stacking energy: -292.630 Base-Backbone interact. energy: -1.011 local terms energy: -290.280673 where: bonds (distance) C4'-P energy: -45.840 bonds (distance) P-C4' energy: -57.436 flat angles C4'-P-C4' energy: -70.745 flat angles P-C4'-P energy: -42.764 tors. eta vs tors. theta energy: -73.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -878.280795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.280795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.280795 (E_RNA) where: Base-Base interactions energy: -584.370 where: short stacking energy: -249.874 Base-Backbone interact. energy: -3.144 local terms energy: -290.767561 where: bonds (distance) C4'-P energy: -64.894 bonds (distance) P-C4' energy: -61.545 flat angles C4'-P-C4' energy: -66.383 flat angles P-C4'-P energy: -38.461 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: 8, replica: 7 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -742.874339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.874339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.874339 (E_RNA) where: Base-Base interactions energy: -486.313 where: short stacking energy: -226.707 Base-Backbone interact. energy: -1.070 local terms energy: -255.491210 where: bonds (distance) C4'-P energy: -59.484 bonds (distance) P-C4' energy: -51.461 flat angles C4'-P-C4' energy: -59.886 flat angles P-C4'-P energy: -29.133 tors. eta vs tors. theta energy: -55.528 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: 3 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -656.057773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.057773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.057773 (E_RNA) where: Base-Base interactions energy: -417.484 where: short stacking energy: -180.842 Base-Backbone interact. energy: -1.257 local terms energy: -237.316532 where: bonds (distance) C4'-P energy: -56.929 bonds (distance) P-C4' energy: -51.758 flat angles C4'-P-C4' energy: -58.890 flat angles P-C4'-P energy: -33.800 tors. eta vs tors. theta energy: -35.939 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: 2 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -453.131625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.131625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.131625 (E_RNA) where: Base-Base interactions energy: -266.766 where: short stacking energy: -144.226 Base-Backbone interact. energy: -3.018 local terms energy: -183.347708 where: bonds (distance) C4'-P energy: -50.453 bonds (distance) P-C4' energy: -54.019 flat angles C4'-P-C4' energy: -43.276 flat angles P-C4'-P energy: -21.433 tors. eta vs tors. theta energy: -14.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1204.026622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.026622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.026622 (E_RNA) where: Base-Base interactions energy: -856.078 where: short stacking energy: -355.575 Base-Backbone interact. energy: -1.250 local terms energy: -346.698621 where: bonds (distance) C4'-P energy: -64.502 bonds (distance) P-C4' energy: -60.668 flat angles C4'-P-C4' energy: -68.474 flat angles P-C4'-P energy: -53.288 tors. eta vs tors. theta energy: -99.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1154.484984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.484984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.484984 (E_RNA) where: Base-Base interactions energy: -793.703 where: short stacking energy: -345.608 Base-Backbone interact. energy: -1.025 local terms energy: -359.756914 where: bonds (distance) C4'-P energy: -63.555 bonds (distance) P-C4' energy: -68.509 flat angles C4'-P-C4' energy: -73.694 flat angles P-C4'-P energy: -44.973 tors. eta vs tors. theta energy: -109.026 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: 231 Temperature: 1.000000 Total energy: -1061.521543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.521543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.521543 (E_RNA) where: Base-Base interactions energy: -727.823 where: short stacking energy: -333.245 Base-Backbone interact. energy: -0.631 local terms energy: -333.067622 where: bonds (distance) C4'-P energy: -60.487 bonds (distance) P-C4' energy: -54.632 flat angles C4'-P-C4' energy: -70.523 flat angles P-C4'-P energy: -44.020 tors. eta vs tors. theta energy: -103.406 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: 1 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1014.926052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.926052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.926052 (E_RNA) where: Base-Base interactions energy: -691.189 where: short stacking energy: -301.612 Base-Backbone interact. energy: -0.706 local terms energy: -323.031193 where: bonds (distance) C4'-P energy: -62.822 bonds (distance) P-C4' energy: -60.502 flat angles C4'-P-C4' energy: -69.220 flat angles P-C4'-P energy: -49.667 tors. eta vs tors. theta energy: -80.820 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: 231 Temperature: 1.100000 Total energy: -973.788990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.788990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.788990 (E_RNA) where: Base-Base interactions energy: -696.219 where: short stacking energy: -287.008 Base-Backbone interact. energy: 0.701 local terms energy: -278.270858 where: bonds (distance) C4'-P energy: -57.121 bonds (distance) P-C4' energy: -65.041 flat angles C4'-P-C4' energy: -67.542 flat angles P-C4'-P energy: -28.513 tors. eta vs tors. theta energy: -60.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -904.846976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.846976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.846976 (E_RNA) where: Base-Base interactions energy: -636.928 where: short stacking energy: -272.251 Base-Backbone interact. energy: -2.272 local terms energy: -265.646939 where: bonds (distance) C4'-P energy: -49.698 bonds (distance) P-C4' energy: -63.409 flat angles C4'-P-C4' energy: -67.201 flat angles P-C4'-P energy: -25.040 tors. eta vs tors. theta energy: -60.299 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: 7, replica: 9 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -858.968307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.968307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.968307 (E_RNA) where: Base-Base interactions energy: -583.292 where: short stacking energy: -241.648 Base-Backbone interact. energy: 1.648 local terms energy: -277.324556 where: bonds (distance) C4'-P energy: -48.743 bonds (distance) P-C4' energy: -65.281 flat angles C4'-P-C4' energy: -66.759 flat angles P-C4'-P energy: -41.819 tors. eta vs tors. theta energy: -54.722 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: 7 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -731.917150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.917150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.917150 (E_RNA) where: Base-Base interactions energy: -485.020 where: short stacking energy: -212.371 Base-Backbone interact. energy: -1.514 local terms energy: -245.382280 where: bonds (distance) C4'-P energy: -48.232 bonds (distance) P-C4' energy: -60.148 flat angles C4'-P-C4' energy: -62.135 flat angles P-C4'-P energy: -32.740 tors. eta vs tors. theta energy: -42.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -696.641869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.641869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.641869 (E_RNA) where: Base-Base interactions energy: -446.807 where: short stacking energy: -183.832 Base-Backbone interact. energy: -0.765 local terms energy: -249.069734 where: bonds (distance) C4'-P energy: -59.582 bonds (distance) P-C4' energy: -43.061 flat angles C4'-P-C4' energy: -66.961 flat angles P-C4'-P energy: -42.845 tors. eta vs tors. theta energy: -36.621 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: 10, replica: 2 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -499.213156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.213156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.213156 (E_RNA) where: Base-Base interactions energy: -302.683 where: short stacking energy: -139.090 Base-Backbone interact. energy: 2.300 local terms energy: -198.830511 where: bonds (distance) C4'-P energy: -59.892 bonds (distance) P-C4' energy: -46.794 flat angles C4'-P-C4' energy: -51.707 flat angles P-C4'-P energy: -26.364 tors. eta vs tors. theta energy: -14.074 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: 10 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1214.372322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.372322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.372322 (E_RNA) where: Base-Base interactions energy: -870.082 where: short stacking energy: -373.069 Base-Backbone interact. energy: -2.304 local terms energy: -341.987099 where: bonds (distance) C4'-P energy: -61.122 bonds (distance) P-C4' energy: -72.880 flat angles C4'-P-C4' energy: -74.269 flat angles P-C4'-P energy: -35.409 tors. eta vs tors. theta energy: -98.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1171.836876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.836876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.836876 (E_RNA) where: Base-Base interactions energy: -814.902 where: short stacking energy: -362.774 Base-Backbone interact. energy: -0.824 local terms energy: -356.110630 where: bonds (distance) C4'-P energy: -70.172 bonds (distance) P-C4' energy: -64.580 flat angles C4'-P-C4' energy: -70.710 flat angles P-C4'-P energy: -48.999 tors. eta vs tors. theta energy: -101.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1044.895698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.895698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.895698 (E_RNA) where: Base-Base interactions energy: -714.671 where: short stacking energy: -329.571 Base-Backbone interact. energy: 2.993 local terms energy: -333.217559 where: bonds (distance) C4'-P energy: -57.485 bonds (distance) P-C4' energy: -68.036 flat angles C4'-P-C4' energy: -71.482 flat angles P-C4'-P energy: -50.190 tors. eta vs tors. theta energy: -86.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1046.746703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.746703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.746703 (E_RNA) where: Base-Base interactions energy: -722.887 where: short stacking energy: -324.928 Base-Backbone interact. energy: -1.875 local terms energy: -321.984622 where: bonds (distance) C4'-P energy: -59.408 bonds (distance) P-C4' energy: -60.702 flat angles C4'-P-C4' energy: -66.508 flat angles P-C4'-P energy: -48.922 tors. eta vs tors. theta energy: -86.444 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: 6 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -971.856298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.856298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.856298 (E_RNA) where: Base-Base interactions energy: -667.542 where: short stacking energy: -284.478 Base-Backbone interact. energy: -1.148 local terms energy: -303.165644 where: bonds (distance) C4'-P energy: -60.571 bonds (distance) P-C4' energy: -63.680 flat angles C4'-P-C4' energy: -62.361 flat angles P-C4'-P energy: -44.043 tors. eta vs tors. theta energy: -72.510 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: 8 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -918.148331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.148331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.148331 (E_RNA) where: Base-Base interactions energy: -646.066 where: short stacking energy: -254.661 Base-Backbone interact. energy: -1.882 local terms energy: -270.199702 where: bonds (distance) C4'-P energy: -64.141 bonds (distance) P-C4' energy: -49.025 flat angles C4'-P-C4' energy: -56.603 flat angles P-C4'-P energy: -42.622 tors. eta vs tors. theta energy: -57.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -846.511078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.511078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.511078 (E_RNA) where: Base-Base interactions energy: -574.297 where: short stacking energy: -240.616 Base-Backbone interact. energy: -0.415 local terms energy: -271.798420 where: bonds (distance) C4'-P energy: -57.775 bonds (distance) P-C4' energy: -65.864 flat angles C4'-P-C4' energy: -65.228 flat angles P-C4'-P energy: -28.522 tors. eta vs tors. theta energy: -54.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -715.659631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.659631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.659631 (E_RNA) where: Base-Base interactions energy: -470.848 where: short stacking energy: -218.606 Base-Backbone interact. energy: -1.274 local terms energy: -243.538445 where: bonds (distance) C4'-P energy: -48.523 bonds (distance) P-C4' energy: -55.812 flat angles C4'-P-C4' energy: -61.011 flat angles P-C4'-P energy: -44.892 tors. eta vs tors. theta energy: -33.300 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: 9, replica: 3 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -702.122111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.122111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.122111 (E_RNA) where: Base-Base interactions energy: -457.217 where: short stacking energy: -193.795 Base-Backbone interact. energy: -0.973 local terms energy: -243.932129 where: bonds (distance) C4'-P energy: -47.374 bonds (distance) P-C4' energy: -57.959 flat angles C4'-P-C4' energy: -60.197 flat angles P-C4'-P energy: -35.305 tors. eta vs tors. theta energy: -43.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -501.941638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.941638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.941638 (E_RNA) where: Base-Base interactions energy: -319.885 where: short stacking energy: -150.110 Base-Backbone interact. energy: -5.158 local terms energy: -176.898534 where: bonds (distance) C4'-P energy: -42.341 bonds (distance) P-C4' energy: -52.878 flat angles C4'-P-C4' energy: -50.543 flat angles P-C4'-P energy: -23.058 tors. eta vs tors. theta energy: -8.079 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: 10 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1193.780182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.780182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.780182 (E_RNA) where: Base-Base interactions energy: -842.837 where: short stacking energy: -363.517 Base-Backbone interact. energy: -2.180 local terms energy: -348.762745 where: bonds (distance) C4'-P energy: -62.497 bonds (distance) P-C4' energy: -62.143 flat angles C4'-P-C4' energy: -77.545 flat angles P-C4'-P energy: -46.463 tors. eta vs tors. theta energy: -100.115 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: 233 Temperature: 0.950000 Total energy: -1147.989510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.989510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.989510 (E_RNA) where: Base-Base interactions energy: -806.321 where: short stacking energy: -363.082 Base-Backbone interact. energy: -0.772 local terms energy: -340.896172 where: bonds (distance) C4'-P energy: -58.142 bonds (distance) P-C4' energy: -55.281 flat angles C4'-P-C4' energy: -74.472 flat angles P-C4'-P energy: -54.180 tors. eta vs tors. theta energy: -98.821 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: 1 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1044.817977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.817977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.817977 (E_RNA) where: Base-Base interactions energy: -739.367 where: short stacking energy: -308.386 Base-Backbone interact. energy: -2.619 local terms energy: -302.832205 where: bonds (distance) C4'-P energy: -56.401 bonds (distance) P-C4' energy: -58.463 flat angles C4'-P-C4' energy: -62.791 flat angles P-C4'-P energy: -45.456 tors. eta vs tors. theta energy: -79.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1048.296927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.296927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.296927 (E_RNA) where: Base-Base interactions energy: -724.377 where: short stacking energy: -332.308 Base-Backbone interact. energy: -1.898 local terms energy: -322.021811 where: bonds (distance) C4'-P energy: -54.726 bonds (distance) P-C4' energy: -51.484 flat angles C4'-P-C4' energy: -68.931 flat angles P-C4'-P energy: -49.260 tors. eta vs tors. theta energy: -97.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -948.472493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.472493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.472493 (E_RNA) where: Base-Base interactions energy: -680.934 where: short stacking energy: -266.529 Base-Backbone interact. energy: -2.928 local terms energy: -264.610014 where: bonds (distance) C4'-P energy: -47.386 bonds (distance) P-C4' energy: -50.057 flat angles C4'-P-C4' energy: -64.965 flat angles P-C4'-P energy: -35.071 tors. eta vs tors. theta energy: -67.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -907.950401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.950401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.950401 (E_RNA) where: Base-Base interactions energy: -623.690 where: short stacking energy: -264.016 Base-Backbone interact. energy: -1.806 local terms energy: -282.454175 where: bonds (distance) C4'-P energy: -47.648 bonds (distance) P-C4' energy: -64.309 flat angles C4'-P-C4' energy: -61.490 flat angles P-C4'-P energy: -45.993 tors. eta vs tors. theta energy: -63.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -861.110530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.110530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.110530 (E_RNA) where: Base-Base interactions energy: -581.771 where: short stacking energy: -237.719 Base-Backbone interact. energy: -1.483 local terms energy: -277.856588 where: bonds (distance) C4'-P energy: -68.232 bonds (distance) P-C4' energy: -59.973 flat angles C4'-P-C4' energy: -58.998 flat angles P-C4'-P energy: -44.156 tors. eta vs tors. theta energy: -46.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -700.039805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.039805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.039805 (E_RNA) where: Base-Base interactions energy: -477.556 where: short stacking energy: -214.193 Base-Backbone interact. energy: -1.162 local terms energy: -221.321571 where: bonds (distance) C4'-P energy: -56.226 bonds (distance) P-C4' energy: -54.051 flat angles C4'-P-C4' energy: -48.100 flat angles P-C4'-P energy: -26.230 tors. eta vs tors. theta energy: -36.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -724.342517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.342517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.342517 (E_RNA) where: Base-Base interactions energy: -481.703 where: short stacking energy: -201.774 Base-Backbone interact. energy: -1.785 local terms energy: -240.854246 where: bonds (distance) C4'-P energy: -44.109 bonds (distance) P-C4' energy: -61.773 flat angles C4'-P-C4' energy: -58.973 flat angles P-C4'-P energy: -29.751 tors. eta vs tors. theta energy: -46.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -448.401316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.401316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.401316 (E_RNA) where: Base-Base interactions energy: -256.765 where: short stacking energy: -119.078 Base-Backbone interact. energy: 3.895 local terms energy: -195.531091 where: bonds (distance) C4'-P energy: -42.375 bonds (distance) P-C4' energy: -62.272 flat angles C4'-P-C4' energy: -49.473 flat angles P-C4'-P energy: -38.828 tors. eta vs tors. theta energy: -2.583 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: 1, replica: 10 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1179.479313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.479313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.479313 (E_RNA) where: Base-Base interactions energy: -827.493 where: short stacking energy: -377.142 Base-Backbone interact. energy: -0.982 local terms energy: -351.003819 where: bonds (distance) C4'-P energy: -65.192 bonds (distance) P-C4' energy: -56.170 flat angles C4'-P-C4' energy: -67.149 flat angles P-C4'-P energy: -58.980 tors. eta vs tors. theta energy: -103.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1159.627440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.627440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.627440 (E_RNA) where: Base-Base interactions energy: -798.085 where: short stacking energy: -364.616 Base-Backbone interact. energy: -1.121 local terms energy: -360.421459 where: bonds (distance) C4'-P energy: -56.644 bonds (distance) P-C4' energy: -69.195 flat angles C4'-P-C4' energy: -77.824 flat angles P-C4'-P energy: -53.298 tors. eta vs tors. theta energy: -103.461 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: 1 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1053.715637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.715637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.715637 (E_RNA) where: Base-Base interactions energy: -741.447 where: short stacking energy: -300.313 Base-Backbone interact. energy: -1.228 local terms energy: -311.040982 where: bonds (distance) C4'-P energy: -62.540 bonds (distance) P-C4' energy: -61.366 flat angles C4'-P-C4' energy: -62.667 flat angles P-C4'-P energy: -43.821 tors. eta vs tors. theta energy: -80.648 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: 234 Temperature: 1.050000 Total energy: -992.389129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.389129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.389129 (E_RNA) where: Base-Base interactions energy: -693.743 where: short stacking energy: -296.145 Base-Backbone interact. energy: 0.543 local terms energy: -299.188854 where: bonds (distance) C4'-P energy: -61.611 bonds (distance) P-C4' energy: -51.584 flat angles C4'-P-C4' energy: -65.537 flat angles P-C4'-P energy: -39.337 tors. eta vs tors. theta energy: -81.120 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: 6 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -968.238285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.238285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.238285 (E_RNA) where: Base-Base interactions energy: -665.556 where: short stacking energy: -284.504 Base-Backbone interact. energy: -2.503 local terms energy: -300.179445 where: bonds (distance) C4'-P energy: -65.248 bonds (distance) P-C4' energy: -60.061 flat angles C4'-P-C4' energy: -59.913 flat angles P-C4'-P energy: -41.411 tors. eta vs tors. theta energy: -73.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -894.523075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.523075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.523075 (E_RNA) where: Base-Base interactions energy: -631.935 where: short stacking energy: -273.732 Base-Backbone interact. energy: -0.493 local terms energy: -262.095326 where: bonds (distance) C4'-P energy: -53.458 bonds (distance) P-C4' energy: -45.415 flat angles C4'-P-C4' energy: -60.450 flat angles P-C4'-P energy: -40.460 tors. eta vs tors. theta energy: -62.313 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: 9 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -869.626666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.626666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.626666 (E_RNA) where: Base-Base interactions energy: -610.608 where: short stacking energy: -286.040 Base-Backbone interact. energy: -1.355 local terms energy: -257.663832 where: bonds (distance) C4'-P energy: -46.751 bonds (distance) P-C4' energy: -59.324 flat angles C4'-P-C4' energy: -52.733 flat angles P-C4'-P energy: -39.695 tors. eta vs tors. theta energy: -59.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -682.767417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.767417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.767417 (E_RNA) where: Base-Base interactions energy: -456.928 where: short stacking energy: -204.710 Base-Backbone interact. energy: 2.564 local terms energy: -228.403186 where: bonds (distance) C4'-P energy: -46.546 bonds (distance) P-C4' energy: -63.797 flat angles C4'-P-C4' energy: -51.844 flat angles P-C4'-P energy: -24.646 tors. eta vs tors. theta energy: -41.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -732.898040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.898040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.898040 (E_RNA) where: Base-Base interactions energy: -489.251 where: short stacking energy: -208.928 Base-Backbone interact. energy: -0.014 local terms energy: -243.632972 where: bonds (distance) C4'-P energy: -52.322 bonds (distance) P-C4' energy: -52.868 flat angles C4'-P-C4' energy: -42.999 flat angles P-C4'-P energy: -47.706 tors. eta vs tors. theta energy: -47.738 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: 10, replica: 2 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -449.940404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.940404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.940404 (E_RNA) where: Base-Base interactions energy: -262.870 where: short stacking energy: -126.959 Base-Backbone interact. energy: -0.901 local terms energy: -186.168629 where: bonds (distance) C4'-P energy: -52.709 bonds (distance) P-C4' energy: -54.825 flat angles C4'-P-C4' energy: -51.295 flat angles P-C4'-P energy: -24.485 tors. eta vs tors. theta energy: -2.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1181.630486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.630486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.630486 (E_RNA) where: Base-Base interactions energy: -823.011 where: short stacking energy: -359.730 Base-Backbone interact. energy: -1.137 local terms energy: -357.482283 where: bonds (distance) C4'-P energy: -59.934 bonds (distance) P-C4' energy: -63.951 flat angles C4'-P-C4' energy: -80.918 flat angles P-C4'-P energy: -47.115 tors. eta vs tors. theta energy: -105.564 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: 4 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1161.329509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.329509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.329509 (E_RNA) where: Base-Base interactions energy: -796.094 where: short stacking energy: -358.579 Base-Backbone interact. energy: -0.958 local terms energy: -364.277681 where: bonds (distance) C4'-P energy: -58.689 bonds (distance) P-C4' energy: -73.715 flat angles C4'-P-C4' energy: -72.371 flat angles P-C4'-P energy: -53.837 tors. eta vs tors. theta energy: -105.665 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: 1 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1015.906329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.906329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.906329 (E_RNA) where: Base-Base interactions energy: -700.106 where: short stacking energy: -312.241 Base-Backbone interact. energy: 1.057 local terms energy: -316.857437 where: bonds (distance) C4'-P energy: -58.916 bonds (distance) P-C4' energy: -57.847 flat angles C4'-P-C4' energy: -65.173 flat angles P-C4'-P energy: -47.868 tors. eta vs tors. theta energy: -87.054 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: 5 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1037.281950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.281950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.281950 (E_RNA) where: Base-Base interactions energy: -739.857 where: short stacking energy: -310.527 Base-Backbone interact. energy: -0.710 local terms energy: -296.715242 where: bonds (distance) C4'-P energy: -44.643 bonds (distance) P-C4' energy: -58.363 flat angles C4'-P-C4' energy: -59.947 flat angles P-C4'-P energy: -44.881 tors. eta vs tors. theta energy: -88.881 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: 5, replica: 6 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -962.100582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.100582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.100582 (E_RNA) where: Base-Base interactions energy: -649.451 where: short stacking energy: -283.644 Base-Backbone interact. energy: -0.396 local terms energy: -312.253236 where: bonds (distance) C4'-P energy: -63.199 bonds (distance) P-C4' energy: -56.157 flat angles C4'-P-C4' energy: -70.331 flat angles P-C4'-P energy: -50.187 tors. eta vs tors. theta energy: -72.380 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: 9 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -926.829030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.829030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.829030 (E_RNA) where: Base-Base interactions energy: -656.493 where: short stacking energy: -287.340 Base-Backbone interact. energy: 5.535 local terms energy: -275.870924 where: bonds (distance) C4'-P energy: -53.374 bonds (distance) P-C4' energy: -66.729 flat angles C4'-P-C4' energy: -44.246 flat angles P-C4'-P energy: -39.650 tors. eta vs tors. theta energy: -71.871 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: 8 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -857.746636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.746636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.746636 (E_RNA) where: Base-Base interactions energy: -592.159 where: short stacking energy: -261.972 Base-Backbone interact. energy: -1.074 local terms energy: -264.513675 where: bonds (distance) C4'-P energy: -53.070 bonds (distance) P-C4' energy: -57.256 flat angles C4'-P-C4' energy: -54.073 flat angles P-C4'-P energy: -36.333 tors. eta vs tors. theta energy: -63.782 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: 3 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -796.748475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.748475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.748475 (E_RNA) where: Base-Base interactions energy: -541.918 where: short stacking energy: -245.633 Base-Backbone interact. energy: -1.069 local terms energy: -253.760867 where: bonds (distance) C4'-P energy: -50.424 bonds (distance) P-C4' energy: -52.537 flat angles C4'-P-C4' energy: -58.518 flat angles P-C4'-P energy: -41.093 tors. eta vs tors. theta energy: -51.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -661.458688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.458688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.458688 (E_RNA) where: Base-Base interactions energy: -434.906 where: short stacking energy: -193.653 Base-Backbone interact. energy: 0.391 local terms energy: -226.944028 where: bonds (distance) C4'-P energy: -50.344 bonds (distance) P-C4' energy: -41.702 flat angles C4'-P-C4' energy: -61.805 flat angles P-C4'-P energy: -41.305 tors. eta vs tors. theta energy: -31.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -467.071828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.071828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.071828 (E_RNA) where: Base-Base interactions energy: -274.645 where: short stacking energy: -115.275 Base-Backbone interact. energy: -0.546 local terms energy: -191.881582 where: bonds (distance) C4'-P energy: -39.189 bonds (distance) P-C4' energy: -69.689 flat angles C4'-P-C4' energy: -39.679 flat angles P-C4'-P energy: -31.120 tors. eta vs tors. theta energy: -12.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1169.999038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.999038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.999038 (E_RNA) where: Base-Base interactions energy: -818.818 where: short stacking energy: -366.402 Base-Backbone interact. energy: 1.272 local terms energy: -352.452891 where: bonds (distance) C4'-P energy: -62.479 bonds (distance) P-C4' energy: -57.407 flat angles C4'-P-C4' energy: -71.900 flat angles P-C4'-P energy: -50.775 tors. eta vs tors. theta energy: -109.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1155.336621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.336621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.336621 (E_RNA) where: Base-Base interactions energy: -816.663 where: short stacking energy: -359.267 Base-Backbone interact. energy: 4.125 local terms energy: -342.798562 where: bonds (distance) C4'-P energy: -52.840 bonds (distance) P-C4' energy: -66.894 flat angles C4'-P-C4' energy: -68.912 flat angles P-C4'-P energy: -51.754 tors. eta vs tors. theta energy: -102.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1016.741174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.741174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.741174 (E_RNA) where: Base-Base interactions energy: -708.040 where: short stacking energy: -313.090 Base-Backbone interact. energy: 0.531 local terms energy: -309.231978 where: bonds (distance) C4'-P energy: -62.198 bonds (distance) P-C4' energy: -55.257 flat angles C4'-P-C4' energy: -66.087 flat angles P-C4'-P energy: -40.510 tors. eta vs tors. theta energy: -85.180 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: 5 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1005.081801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.081801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.081801 (E_RNA) where: Base-Base interactions energy: -694.737 where: short stacking energy: -297.921 Base-Backbone interact. energy: -1.833 local terms energy: -308.511838 where: bonds (distance) C4'-P energy: -61.573 bonds (distance) P-C4' energy: -56.261 flat angles C4'-P-C4' energy: -64.980 flat angles P-C4'-P energy: -46.362 tors. eta vs tors. theta energy: -79.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -977.856096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.856096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.856096 (E_RNA) where: Base-Base interactions energy: -694.589 where: short stacking energy: -273.374 Base-Backbone interact. energy: -3.791 local terms energy: -279.476168 where: bonds (distance) C4'-P energy: -52.488 bonds (distance) P-C4' energy: -60.700 flat angles C4'-P-C4' energy: -59.689 flat angles P-C4'-P energy: -39.985 tors. eta vs tors. theta energy: -66.614 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: 9 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -933.264750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.264750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.264750 (E_RNA) where: Base-Base interactions energy: -628.492 where: short stacking energy: -264.957 Base-Backbone interact. energy: -2.909 local terms energy: -301.863651 where: bonds (distance) C4'-P energy: -62.241 bonds (distance) P-C4' energy: -63.848 flat angles C4'-P-C4' energy: -73.195 flat angles P-C4'-P energy: -34.604 tors. eta vs tors. theta energy: -67.976 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: 7, replica: 8 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -883.217923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.217923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.217923 (E_RNA) where: Base-Base interactions energy: -613.402 where: short stacking energy: -267.948 Base-Backbone interact. energy: -1.920 local terms energy: -267.896568 where: bonds (distance) C4'-P energy: -49.479 bonds (distance) P-C4' energy: -50.399 flat angles C4'-P-C4' energy: -59.302 flat angles P-C4'-P energy: -39.867 tors. eta vs tors. theta energy: -68.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -786.780130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.780130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.780130 (E_RNA) where: Base-Base interactions energy: -544.302 where: short stacking energy: -229.751 Base-Backbone interact. energy: 1.950 local terms energy: -244.428679 where: bonds (distance) C4'-P energy: -54.012 bonds (distance) P-C4' energy: -58.405 flat angles C4'-P-C4' energy: -49.540 flat angles P-C4'-P energy: -33.907 tors. eta vs tors. theta energy: -48.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -612.383866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.383866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.383866 (E_RNA) where: Base-Base interactions energy: -392.103 where: short stacking energy: -172.716 Base-Backbone interact. energy: -0.634 local terms energy: -219.646667 where: bonds (distance) C4'-P energy: -53.919 bonds (distance) P-C4' energy: -45.058 flat angles C4'-P-C4' energy: -54.443 flat angles P-C4'-P energy: -37.161 tors. eta vs tors. theta energy: -29.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -481.189754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.189754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.189754 (E_RNA) where: Base-Base interactions energy: -267.699 where: short stacking energy: -134.482 Base-Backbone interact. energy: -1.015 local terms energy: -212.475393 where: bonds (distance) C4'-P energy: -42.184 bonds (distance) P-C4' energy: -54.737 flat angles C4'-P-C4' energy: -65.003 flat angles P-C4'-P energy: -41.629 tors. eta vs tors. theta energy: -8.923 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: 4 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1184.886513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.886513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.886513 (E_RNA) where: Base-Base interactions energy: -814.301 where: short stacking energy: -367.112 Base-Backbone interact. energy: -0.932 local terms energy: -369.654122 where: bonds (distance) C4'-P energy: -68.315 bonds (distance) P-C4' energy: -67.755 flat angles C4'-P-C4' energy: -77.318 flat angles P-C4'-P energy: -54.853 tors. eta vs tors. theta energy: -101.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1158.541106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.541106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.541106 (E_RNA) where: Base-Base interactions energy: -812.478 where: short stacking energy: -350.799 Base-Backbone interact. energy: -1.076 local terms energy: -344.987082 where: bonds (distance) C4'-P energy: -67.647 bonds (distance) P-C4' energy: -59.896 flat angles C4'-P-C4' energy: -73.443 flat angles P-C4'-P energy: -46.279 tors. eta vs tors. theta energy: -97.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1039.146947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.146947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.146947 (E_RNA) where: Base-Base interactions energy: -723.054 where: short stacking energy: -321.481 Base-Backbone interact. energy: -0.789 local terms energy: -315.303170 where: bonds (distance) C4'-P energy: -51.919 bonds (distance) P-C4' energy: -54.323 flat angles C4'-P-C4' energy: -79.810 flat angles P-C4'-P energy: -49.502 tors. eta vs tors. theta energy: -79.749 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: 5 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -989.222664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.222664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.222664 (E_RNA) where: Base-Base interactions energy: -697.834 where: short stacking energy: -308.059 Base-Backbone interact. energy: -0.400 local terms energy: -290.988121 where: bonds (distance) C4'-P energy: -52.001 bonds (distance) P-C4' energy: -60.446 flat angles C4'-P-C4' energy: -59.903 flat angles P-C4'-P energy: -36.347 tors. eta vs tors. theta energy: -82.292 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: 5, replica: 6 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -956.012314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.012314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.012314 (E_RNA) where: Base-Base interactions energy: -649.324 where: short stacking energy: -271.535 Base-Backbone interact. energy: -2.636 local terms energy: -304.051920 where: bonds (distance) C4'-P energy: -50.108 bonds (distance) P-C4' energy: -69.293 flat angles C4'-P-C4' energy: -67.837 flat angles P-C4'-P energy: -39.059 tors. eta vs tors. theta energy: -77.755 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: 9 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -937.914982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.914982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.914982 (E_RNA) where: Base-Base interactions energy: -658.713 where: short stacking energy: -277.598 Base-Backbone interact. energy: -2.050 local terms energy: -277.151996 where: bonds (distance) C4'-P energy: -49.449 bonds (distance) P-C4' energy: -43.174 flat angles C4'-P-C4' energy: -62.905 flat angles P-C4'-P energy: -46.602 tors. eta vs tors. theta energy: -75.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -840.408863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.408863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.408863 (E_RNA) where: Base-Base interactions energy: -567.938 where: short stacking energy: -239.656 Base-Backbone interact. energy: 0.307 local terms energy: -272.777236 where: bonds (distance) C4'-P energy: -58.636 bonds (distance) P-C4' energy: -57.105 flat angles C4'-P-C4' energy: -58.957 flat angles P-C4'-P energy: -35.916 tors. eta vs tors. theta energy: -62.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -790.820117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.820117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.820117 (E_RNA) where: Base-Base interactions energy: -552.593 where: short stacking energy: -215.958 Base-Backbone interact. energy: -0.229 local terms energy: -237.998519 where: bonds (distance) C4'-P energy: -51.057 bonds (distance) P-C4' energy: -57.074 flat angles C4'-P-C4' energy: -50.858 flat angles P-C4'-P energy: -37.582 tors. eta vs tors. theta energy: -41.427 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: 7 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -616.177862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.177862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.177862 (E_RNA) where: Base-Base interactions energy: -407.600 where: short stacking energy: -185.005 Base-Backbone interact. energy: 7.027 local terms energy: -215.604294 where: bonds (distance) C4'-P energy: -47.402 bonds (distance) P-C4' energy: -46.610 flat angles C4'-P-C4' energy: -53.606 flat angles P-C4'-P energy: -33.996 tors. eta vs tors. theta energy: -33.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -444.345589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.345589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.345589 (E_RNA) where: Base-Base interactions energy: -251.947 where: short stacking energy: -126.592 Base-Backbone interact. energy: -3.673 local terms energy: -188.725687 where: bonds (distance) C4'-P energy: -42.414 bonds (distance) P-C4' energy: -55.795 flat angles C4'-P-C4' energy: -52.017 flat angles P-C4'-P energy: -18.382 tors. eta vs tors. theta energy: -20.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1175.041085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.041085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.041085 (E_RNA) where: Base-Base interactions energy: -820.494 where: short stacking energy: -363.950 Base-Backbone interact. energy: -0.703 local terms energy: -353.843805 where: bonds (distance) C4'-P energy: -64.467 bonds (distance) P-C4' energy: -66.862 flat angles C4'-P-C4' energy: -70.593 flat angles P-C4'-P energy: -47.444 tors. eta vs tors. theta energy: -104.478 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: 10 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1166.475631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.475631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.475631 (E_RNA) where: Base-Base interactions energy: -816.635 where: short stacking energy: -351.051 Base-Backbone interact. energy: -0.949 local terms energy: -348.891465 where: bonds (distance) C4'-P energy: -58.005 bonds (distance) P-C4' energy: -72.016 flat angles C4'-P-C4' energy: -72.817 flat angles P-C4'-P energy: -44.880 tors. eta vs tors. theta energy: -101.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1073.928142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.928142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.928142 (E_RNA) where: Base-Base interactions energy: -762.592 where: short stacking energy: -309.816 Base-Backbone interact. energy: -0.609 local terms energy: -310.726753 where: bonds (distance) C4'-P energy: -45.593 bonds (distance) P-C4' energy: -64.523 flat angles C4'-P-C4' energy: -70.674 flat angles P-C4'-P energy: -50.057 tors. eta vs tors. theta energy: -79.880 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: 238 Temperature: 1.050000 Total energy: -1012.344398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.344398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.344398 (E_RNA) where: Base-Base interactions energy: -694.946 where: short stacking energy: -280.239 Base-Backbone interact. energy: -0.344 local terms energy: -317.054269 where: bonds (distance) C4'-P energy: -53.427 bonds (distance) P-C4' energy: -65.979 flat angles C4'-P-C4' energy: -69.900 flat angles P-C4'-P energy: -48.022 tors. eta vs tors. theta energy: -79.725 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: 9 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -979.596336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.596336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.596336 (E_RNA) where: Base-Base interactions energy: -686.524 where: short stacking energy: -289.642 Base-Backbone interact. energy: -2.093 local terms energy: -290.979336 where: bonds (distance) C4'-P energy: -62.091 bonds (distance) P-C4' energy: -53.483 flat angles C4'-P-C4' energy: -64.206 flat angles P-C4'-P energy: -37.509 tors. eta vs tors. theta energy: -73.691 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: 238 Temperature: 1.150000 Total energy: -942.109097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.109097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.109097 (E_RNA) where: Base-Base interactions energy: -682.301 where: short stacking energy: -261.972 Base-Backbone interact. energy: -1.602 local terms energy: -258.205923 where: bonds (distance) C4'-P energy: -50.009 bonds (distance) P-C4' energy: -53.415 flat angles C4'-P-C4' energy: -66.474 flat angles P-C4'-P energy: -24.098 tors. eta vs tors. theta energy: -64.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -871.545283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.545283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.545283 (E_RNA) where: Base-Base interactions energy: -605.092 where: short stacking energy: -254.703 Base-Backbone interact. energy: -1.789 local terms energy: -264.664798 where: bonds (distance) C4'-P energy: -45.632 bonds (distance) P-C4' energy: -68.325 flat angles C4'-P-C4' energy: -62.057 flat angles P-C4'-P energy: -42.320 tors. eta vs tors. theta energy: -46.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -767.841496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.841496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.841496 (E_RNA) where: Base-Base interactions energy: -521.380 where: short stacking energy: -233.739 Base-Backbone interact. energy: 1.181 local terms energy: -247.642919 where: bonds (distance) C4'-P energy: -47.545 bonds (distance) P-C4' energy: -61.133 flat angles C4'-P-C4' energy: -55.566 flat angles P-C4'-P energy: -31.186 tors. eta vs tors. theta energy: -52.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -645.732163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.732163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.732163 (E_RNA) where: Base-Base interactions energy: -422.495 where: short stacking energy: -192.579 Base-Backbone interact. energy: -1.570 local terms energy: -221.667144 where: bonds (distance) C4'-P energy: -53.225 bonds (distance) P-C4' energy: -52.202 flat angles C4'-P-C4' energy: -55.327 flat angles P-C4'-P energy: -28.660 tors. eta vs tors. theta energy: -32.254 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: 10, replica: 2 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -484.019763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.019763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.019763 (E_RNA) where: Base-Base interactions energy: -289.666 where: short stacking energy: -154.423 Base-Backbone interact. energy: 0.800 local terms energy: -195.154312 where: bonds (distance) C4'-P energy: -56.771 bonds (distance) P-C4' energy: -41.165 flat angles C4'-P-C4' energy: -39.695 flat angles P-C4'-P energy: -36.350 tors. eta vs tors. theta energy: -21.173 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: 1, replica: 4 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1173.941623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.941623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.941623 (E_RNA) where: Base-Base interactions energy: -814.637 where: short stacking energy: -351.075 Base-Backbone interact. energy: -2.219 local terms energy: -357.084976 where: bonds (distance) C4'-P energy: -65.375 bonds (distance) P-C4' energy: -63.495 flat angles C4'-P-C4' energy: -71.115 flat angles P-C4'-P energy: -49.930 tors. eta vs tors. theta energy: -107.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1174.810839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.810839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.810839 (E_RNA) where: Base-Base interactions energy: -824.034 where: short stacking energy: -355.306 Base-Backbone interact. energy: -0.895 local terms energy: -349.881793 where: bonds (distance) C4'-P energy: -53.627 bonds (distance) P-C4' energy: -64.244 flat angles C4'-P-C4' energy: -75.946 flat angles P-C4'-P energy: -49.595 tors. eta vs tors. theta energy: -106.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1044.482370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.482370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.482370 (E_RNA) where: Base-Base interactions energy: -720.122 where: short stacking energy: -304.608 Base-Backbone interact. energy: -1.800 local terms energy: -322.560789 where: bonds (distance) C4'-P energy: -65.789 bonds (distance) P-C4' energy: -64.116 flat angles C4'-P-C4' energy: -73.400 flat angles P-C4'-P energy: -40.097 tors. eta vs tors. theta energy: -79.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -993.065019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.065019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.065019 (E_RNA) where: Base-Base interactions energy: -697.351 where: short stacking energy: -305.990 Base-Backbone interact. energy: 2.239 local terms energy: -297.952871 where: bonds (distance) C4'-P energy: -64.394 bonds (distance) P-C4' energy: -55.783 flat angles C4'-P-C4' energy: -64.586 flat angles P-C4'-P energy: -41.138 tors. eta vs tors. theta energy: -72.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -988.623854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.623854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.623854 (E_RNA) where: Base-Base interactions energy: -685.449 where: short stacking energy: -281.910 Base-Backbone interact. energy: -1.546 local terms energy: -301.628372 where: bonds (distance) C4'-P energy: -52.519 bonds (distance) P-C4' energy: -58.985 flat angles C4'-P-C4' energy: -72.665 flat angles P-C4'-P energy: -44.158 tors. eta vs tors. theta energy: -73.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -936.106764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.106764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.106764 (E_RNA) where: Base-Base interactions energy: -640.425 where: short stacking energy: -269.437 Base-Backbone interact. energy: 1.349 local terms energy: -297.030755 where: bonds (distance) C4'-P energy: -61.143 bonds (distance) P-C4' energy: -65.308 flat angles C4'-P-C4' energy: -59.310 flat angles P-C4'-P energy: -43.588 tors. eta vs tors. theta energy: -67.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -900.669508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.669508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.669508 (E_RNA) where: Base-Base interactions energy: -623.882 where: short stacking energy: -269.859 Base-Backbone interact. energy: 4.301 local terms energy: -281.088439 where: bonds (distance) C4'-P energy: -56.036 bonds (distance) P-C4' energy: -59.382 flat angles C4'-P-C4' energy: -63.511 flat angles P-C4'-P energy: -41.730 tors. eta vs tors. theta energy: -60.429 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: 3 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -768.958386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.958386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.958386 (E_RNA) where: Base-Base interactions energy: -518.668 where: short stacking energy: -223.098 Base-Backbone interact. energy: -1.519 local terms energy: -248.771352 where: bonds (distance) C4'-P energy: -53.523 bonds (distance) P-C4' energy: -46.484 flat angles C4'-P-C4' energy: -64.057 flat angles P-C4'-P energy: -39.732 tors. eta vs tors. theta energy: -44.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -629.148497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.148497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.148497 (E_RNA) where: Base-Base interactions energy: -404.318 where: short stacking energy: -181.021 Base-Backbone interact. energy: -2.939 local terms energy: -221.892125 where: bonds (distance) C4'-P energy: -52.139 bonds (distance) P-C4' energy: -45.988 flat angles C4'-P-C4' energy: -56.748 flat angles P-C4'-P energy: -38.995 tors. eta vs tors. theta energy: -28.022 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: 10, replica: 2 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -444.822711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.822711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.822711 (E_RNA) where: Base-Base interactions energy: -253.138 where: short stacking energy: -125.109 Base-Backbone interact. energy: 1.284 local terms energy: -192.968630 where: bonds (distance) C4'-P energy: -56.940 bonds (distance) P-C4' energy: -45.968 flat angles C4'-P-C4' energy: -52.939 flat angles P-C4'-P energy: -25.706 tors. eta vs tors. theta energy: -11.415 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: 4 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1169.980129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.980129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.980129 (E_RNA) where: Base-Base interactions energy: -810.822 where: short stacking energy: -359.993 Base-Backbone interact. energy: -1.170 local terms energy: -357.988680 where: bonds (distance) C4'-P energy: -65.777 bonds (distance) P-C4' energy: -66.653 flat angles C4'-P-C4' energy: -68.416 flat angles P-C4'-P energy: -49.977 tors. eta vs tors. theta energy: -107.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1174.317682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.317682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.317682 (E_RNA) where: Base-Base interactions energy: -820.603 where: short stacking energy: -349.416 Base-Backbone interact. energy: -1.881 local terms energy: -351.833670 where: bonds (distance) C4'-P energy: -66.666 bonds (distance) P-C4' energy: -61.037 flat angles C4'-P-C4' energy: -69.779 flat angles P-C4'-P energy: -43.983 tors. eta vs tors. theta energy: -110.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1071.303086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.303086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.303086 (E_RNA) where: Base-Base interactions energy: -759.887 where: short stacking energy: -333.253 Base-Backbone interact. energy: -2.049 local terms energy: -309.367014 where: bonds (distance) C4'-P energy: -49.694 bonds (distance) P-C4' energy: -60.728 flat angles C4'-P-C4' energy: -71.438 flat angles P-C4'-P energy: -45.411 tors. eta vs tors. theta energy: -82.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -994.562230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.562230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.562230 (E_RNA) where: Base-Base interactions energy: -686.551 where: short stacking energy: -296.591 Base-Backbone interact. energy: -0.312 local terms energy: -307.698802 where: bonds (distance) C4'-P energy: -62.627 bonds (distance) P-C4' energy: -56.761 flat angles C4'-P-C4' energy: -65.264 flat angles P-C4'-P energy: -41.405 tors. eta vs tors. theta energy: -81.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1013.623670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.623670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.623670 (E_RNA) where: Base-Base interactions energy: -692.698 where: short stacking energy: -317.845 Base-Backbone interact. energy: -2.413 local terms energy: -318.512934 where: bonds (distance) C4'-P energy: -51.133 bonds (distance) P-C4' energy: -64.467 flat angles C4'-P-C4' energy: -71.731 flat angles P-C4'-P energy: -44.653 tors. eta vs tors. theta energy: -86.529 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: 6 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -936.448928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.448928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.448928 (E_RNA) where: Base-Base interactions energy: -640.851 where: short stacking energy: -269.159 Base-Backbone interact. energy: -0.429 local terms energy: -295.168662 where: bonds (distance) C4'-P energy: -57.394 bonds (distance) P-C4' energy: -63.648 flat angles C4'-P-C4' energy: -69.684 flat angles P-C4'-P energy: -33.692 tors. eta vs tors. theta energy: -70.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -865.543354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.543354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.543354 (E_RNA) where: Base-Base interactions energy: -588.932 where: short stacking energy: -258.442 Base-Backbone interact. energy: -1.698 local terms energy: -274.913700 where: bonds (distance) C4'-P energy: -54.239 bonds (distance) P-C4' energy: -52.842 flat angles C4'-P-C4' energy: -65.084 flat angles P-C4'-P energy: -38.380 tors. eta vs tors. theta energy: -64.369 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: 8, replica: 3 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -767.168918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.168918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.168918 (E_RNA) where: Base-Base interactions energy: -519.077 where: short stacking energy: -235.300 Base-Backbone interact. energy: -1.007 local terms energy: -247.084912 where: bonds (distance) C4'-P energy: -51.350 bonds (distance) P-C4' energy: -59.035 flat angles C4'-P-C4' energy: -56.579 flat angles P-C4'-P energy: -34.796 tors. eta vs tors. theta energy: -45.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -640.261148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.261148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.261148 (E_RNA) where: Base-Base interactions energy: -401.767 where: short stacking energy: -185.268 Base-Backbone interact. energy: 2.172 local terms energy: -240.666203 where: bonds (distance) C4'-P energy: -55.172 bonds (distance) P-C4' energy: -47.793 flat angles C4'-P-C4' energy: -67.999 flat angles P-C4'-P energy: -35.380 tors. eta vs tors. theta energy: -34.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -427.756034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.756034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.756034 (E_RNA) where: Base-Base interactions energy: -247.590 where: short stacking energy: -131.298 Base-Backbone interact. energy: -0.213 local terms energy: -179.952386 where: bonds (distance) C4'-P energy: -44.379 bonds (distance) P-C4' energy: -51.036 flat angles C4'-P-C4' energy: -48.511 flat angles P-C4'-P energy: -27.265 tors. eta vs tors. theta energy: -8.760 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: 241 Temperature: 0.900000 Total energy: -1184.954367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.954367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.954367 (E_RNA) where: Base-Base interactions energy: -839.270 where: short stacking energy: -352.577 Base-Backbone interact. energy: -0.844 local terms energy: -344.839981 where: bonds (distance) C4'-P energy: -57.117 bonds (distance) P-C4' energy: -64.600 flat angles C4'-P-C4' energy: -73.596 flat angles P-C4'-P energy: -44.952 tors. eta vs tors. theta energy: -104.574 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: 2, replica: 10 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1183.974907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.974907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.974907 (E_RNA) where: Base-Base interactions energy: -842.349 where: short stacking energy: -362.831 Base-Backbone interact. energy: -0.816 local terms energy: -340.810389 where: bonds (distance) C4'-P energy: -63.207 bonds (distance) P-C4' energy: -53.221 flat angles C4'-P-C4' energy: -69.499 flat angles P-C4'-P energy: -49.582 tors. eta vs tors. theta energy: -105.302 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: 1 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1060.126136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.126136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.126136 (E_RNA) where: Base-Base interactions energy: -756.561 where: short stacking energy: -314.899 Base-Backbone interact. energy: -4.850 local terms energy: -298.715191 where: bonds (distance) C4'-P energy: -53.599 bonds (distance) P-C4' energy: -63.944 flat angles C4'-P-C4' energy: -67.696 flat angles P-C4'-P energy: -40.205 tors. eta vs tors. theta energy: -73.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1036.046079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.046079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.046079 (E_RNA) where: Base-Base interactions energy: -709.575 where: short stacking energy: -315.266 Base-Backbone interact. energy: -2.324 local terms energy: -324.147758 where: bonds (distance) C4'-P energy: -66.692 bonds (distance) P-C4' energy: -54.558 flat angles C4'-P-C4' energy: -71.802 flat angles P-C4'-P energy: -43.242 tors. eta vs tors. theta energy: -87.854 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: 9 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -972.387081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.387081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.387081 (E_RNA) where: Base-Base interactions energy: -669.329 where: short stacking energy: -304.468 Base-Backbone interact. energy: -2.079 local terms energy: -300.978700 where: bonds (distance) C4'-P energy: -62.423 bonds (distance) P-C4' energy: -58.574 flat angles C4'-P-C4' energy: -66.171 flat angles P-C4'-P energy: -34.665 tors. eta vs tors. theta energy: -79.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -915.004842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.004842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.004842 (E_RNA) where: Base-Base interactions energy: -628.158 where: short stacking energy: -263.506 Base-Backbone interact. energy: -0.689 local terms energy: -286.158174 where: bonds (distance) C4'-P energy: -60.162 bonds (distance) P-C4' energy: -58.575 flat angles C4'-P-C4' energy: -57.615 flat angles P-C4'-P energy: -40.454 tors. eta vs tors. theta energy: -69.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -907.388490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.388490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.388490 (E_RNA) where: Base-Base interactions energy: -617.701 where: short stacking energy: -271.412 Base-Backbone interact. energy: 3.749 local terms energy: -293.436335 where: bonds (distance) C4'-P energy: -68.201 bonds (distance) P-C4' energy: -53.393 flat angles C4'-P-C4' energy: -61.395 flat angles P-C4'-P energy: -41.473 tors. eta vs tors. theta energy: -68.973 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: 3 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -817.539348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.539348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.539348 (E_RNA) where: Base-Base interactions energy: -555.486 where: short stacking energy: -230.103 Base-Backbone interact. energy: 1.326 local terms energy: -263.379364 where: bonds (distance) C4'-P energy: -57.074 bonds (distance) P-C4' energy: -66.044 flat angles C4'-P-C4' energy: -55.483 flat angles P-C4'-P energy: -37.154 tors. eta vs tors. theta energy: -47.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -693.114197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.114197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.114197 (E_RNA) where: Base-Base interactions energy: -470.120 where: short stacking energy: -200.183 Base-Backbone interact. energy: -0.096 local terms energy: -222.898540 where: bonds (distance) C4'-P energy: -45.492 bonds (distance) P-C4' energy: -48.568 flat angles C4'-P-C4' energy: -58.354 flat angles P-C4'-P energy: -31.788 tors. eta vs tors. theta energy: -38.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -393.114251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.114251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.114251 (E_RNA) where: Base-Base interactions energy: -205.719 where: short stacking energy: -96.815 Base-Backbone interact. energy: -0.468 local terms energy: -186.928057 where: bonds (distance) C4'-P energy: -57.079 bonds (distance) P-C4' energy: -58.223 flat angles C4'-P-C4' energy: -55.978 flat angles P-C4'-P energy: -17.161 tors. eta vs tors. theta energy: 1.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1180.784987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.784987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.784987 (E_RNA) where: Base-Base interactions energy: -830.564 where: short stacking energy: -357.469 Base-Backbone interact. energy: -1.310 local terms energy: -348.911322 where: bonds (distance) C4'-P energy: -60.579 bonds (distance) P-C4' energy: -74.182 flat angles C4'-P-C4' energy: -70.758 flat angles P-C4'-P energy: -46.538 tors. eta vs tors. theta energy: -96.855 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: 4 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1167.404428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.404428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.404428 (E_RNA) where: Base-Base interactions energy: -811.340 where: short stacking energy: -328.036 Base-Backbone interact. energy: -1.600 local terms energy: -354.464603 where: bonds (distance) C4'-P energy: -64.528 bonds (distance) P-C4' energy: -70.863 flat angles C4'-P-C4' energy: -75.816 flat angles P-C4'-P energy: -43.284 tors. eta vs tors. theta energy: -99.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1057.536980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.536980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.536980 (E_RNA) where: Base-Base interactions energy: -758.791 where: short stacking energy: -319.343 Base-Backbone interact. energy: 3.291 local terms energy: -302.036932 where: bonds (distance) C4'-P energy: -53.411 bonds (distance) P-C4' energy: -57.926 flat angles C4'-P-C4' energy: -66.321 flat angles P-C4'-P energy: -46.149 tors. eta vs tors. theta energy: -78.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1002.425871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.425871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.425871 (E_RNA) where: Base-Base interactions energy: -708.071 where: short stacking energy: -291.869 Base-Backbone interact. energy: 1.986 local terms energy: -296.340439 where: bonds (distance) C4'-P energy: -59.860 bonds (distance) P-C4' energy: -52.575 flat angles C4'-P-C4' energy: -60.748 flat angles P-C4'-P energy: -47.578 tors. eta vs tors. theta energy: -75.580 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: 9 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -941.929639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.929639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.929639 (E_RNA) where: Base-Base interactions energy: -645.235 where: short stacking energy: -270.961 Base-Backbone interact. energy: -2.979 local terms energy: -293.715764 where: bonds (distance) C4'-P energy: -49.907 bonds (distance) P-C4' energy: -61.696 flat angles C4'-P-C4' energy: -71.068 flat angles P-C4'-P energy: -35.091 tors. eta vs tors. theta energy: -75.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -902.143675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.143675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.143675 (E_RNA) where: Base-Base interactions energy: -606.417 where: short stacking energy: -279.615 Base-Backbone interact. energy: -2.083 local terms energy: -293.643214 where: bonds (distance) C4'-P energy: -48.031 bonds (distance) P-C4' energy: -60.893 flat angles C4'-P-C4' energy: -64.197 flat angles P-C4'-P energy: -47.111 tors. eta vs tors. theta energy: -73.412 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: 242 Temperature: 1.200000 Total energy: -836.485417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.485417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.485417 (E_RNA) where: Base-Base interactions energy: -551.718 where: short stacking energy: -262.162 Base-Backbone interact. energy: 0.027 local terms energy: -284.794270 where: bonds (distance) C4'-P energy: -57.627 bonds (distance) P-C4' energy: -56.226 flat angles C4'-P-C4' energy: -74.019 flat angles P-C4'-P energy: -32.959 tors. eta vs tors. theta energy: -63.963 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: 3 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -832.541529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.541529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.541529 (E_RNA) where: Base-Base interactions energy: -570.795 where: short stacking energy: -252.268 Base-Backbone interact. energy: -0.971 local terms energy: -260.775791 where: bonds (distance) C4'-P energy: -46.672 bonds (distance) P-C4' energy: -53.510 flat angles C4'-P-C4' energy: -57.829 flat angles P-C4'-P energy: -42.040 tors. eta vs tors. theta energy: -60.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -713.564720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.564720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.564720 (E_RNA) where: Base-Base interactions energy: -480.616 where: short stacking energy: -221.314 Base-Backbone interact. energy: -0.733 local terms energy: -232.215947 where: bonds (distance) C4'-P energy: -55.622 bonds (distance) P-C4' energy: -55.770 flat angles C4'-P-C4' energy: -51.040 flat angles P-C4'-P energy: -26.845 tors. eta vs tors. theta energy: -42.939 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: 2 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -429.823060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.823060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.823060 (E_RNA) where: Base-Base interactions energy: -236.167 where: short stacking energy: -136.564 Base-Backbone interact. energy: 2.532 local terms energy: -196.188109 where: bonds (distance) C4'-P energy: -48.250 bonds (distance) P-C4' energy: -59.357 flat angles C4'-P-C4' energy: -49.206 flat angles P-C4'-P energy: -29.119 tors. eta vs tors. theta energy: -10.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1194.914353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.914353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.914353 (E_RNA) where: Base-Base interactions energy: -827.746 where: short stacking energy: -358.113 Base-Backbone interact. energy: -2.886 local terms energy: -364.282781 where: bonds (distance) C4'-P energy: -62.422 bonds (distance) P-C4' energy: -69.153 flat angles C4'-P-C4' energy: -74.046 flat angles P-C4'-P energy: -56.179 tors. eta vs tors. theta energy: -102.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1150.504380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.504380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.504380 (E_RNA) where: Base-Base interactions energy: -822.703 where: short stacking energy: -352.697 Base-Backbone interact. energy: 2.052 local terms energy: -329.853123 where: bonds (distance) C4'-P energy: -50.207 bonds (distance) P-C4' energy: -62.795 flat angles C4'-P-C4' energy: -69.694 flat angles P-C4'-P energy: -48.626 tors. eta vs tors. theta energy: -98.531 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: 1 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1039.163625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.163625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.163625 (E_RNA) where: Base-Base interactions energy: -730.859 where: short stacking energy: -310.082 Base-Backbone interact. energy: 0.972 local terms energy: -309.276650 where: bonds (distance) C4'-P energy: -52.728 bonds (distance) P-C4' energy: -65.600 flat angles C4'-P-C4' energy: -68.958 flat angles P-C4'-P energy: -39.734 tors. eta vs tors. theta energy: -82.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -981.456612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.456612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.456612 (E_RNA) where: Base-Base interactions energy: -670.455 where: short stacking energy: -284.265 Base-Backbone interact. energy: 0.013 local terms energy: -311.014388 where: bonds (distance) C4'-P energy: -64.262 bonds (distance) P-C4' energy: -60.616 flat angles C4'-P-C4' energy: -69.987 flat angles P-C4'-P energy: -38.663 tors. eta vs tors. theta energy: -77.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -955.152396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.152396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.152396 (E_RNA) where: Base-Base interactions energy: -646.182 where: short stacking energy: -291.553 Base-Backbone interact. energy: -0.209 local terms energy: -308.761685 where: bonds (distance) C4'-P energy: -53.529 bonds (distance) P-C4' energy: -63.975 flat angles C4'-P-C4' energy: -66.833 flat angles P-C4'-P energy: -50.566 tors. eta vs tors. theta energy: -73.859 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: 6 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -891.817922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.817922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.817922 (E_RNA) where: Base-Base interactions energy: -615.224 where: short stacking energy: -260.606 Base-Backbone interact. energy: -1.898 local terms energy: -274.695459 where: bonds (distance) C4'-P energy: -51.115 bonds (distance) P-C4' energy: -58.389 flat angles C4'-P-C4' energy: -70.652 flat angles P-C4'-P energy: -33.457 tors. eta vs tors. theta energy: -61.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -864.148562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.148562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.148562 (E_RNA) where: Base-Base interactions energy: -608.114 where: short stacking energy: -260.598 Base-Backbone interact. energy: -0.410 local terms energy: -255.624697 where: bonds (distance) C4'-P energy: -47.489 bonds (distance) P-C4' energy: -51.730 flat angles C4'-P-C4' energy: -59.336 flat angles P-C4'-P energy: -45.963 tors. eta vs tors. theta energy: -51.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -835.183196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.183196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.183196 (E_RNA) where: Base-Base interactions energy: -583.871 where: short stacking energy: -245.358 Base-Backbone interact. energy: -1.267 local terms energy: -250.046155 where: bonds (distance) C4'-P energy: -51.224 bonds (distance) P-C4' energy: -59.478 flat angles C4'-P-C4' energy: -56.818 flat angles P-C4'-P energy: -36.230 tors. eta vs tors. theta energy: -46.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -652.481816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.481816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.481816 (E_RNA) where: Base-Base interactions energy: -415.250 where: short stacking energy: -191.589 Base-Backbone interact. energy: -2.135 local terms energy: -235.096782 where: bonds (distance) C4'-P energy: -46.438 bonds (distance) P-C4' energy: -54.915 flat angles C4'-P-C4' energy: -63.131 flat angles P-C4'-P energy: -33.161 tors. eta vs tors. theta energy: -37.452 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: 2 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -460.991008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.991008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.991008 (E_RNA) where: Base-Base interactions energy: -264.231 where: short stacking energy: -148.684 Base-Backbone interact. energy: -2.391 local terms energy: -194.368921 where: bonds (distance) C4'-P energy: -55.901 bonds (distance) P-C4' energy: -54.305 flat angles C4'-P-C4' energy: -48.237 flat angles P-C4'-P energy: -13.377 tors. eta vs tors. theta energy: -22.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1196.457057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.457057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.457057 (E_RNA) where: Base-Base interactions energy: -844.833 where: short stacking energy: -368.197 Base-Backbone interact. energy: -2.106 local terms energy: -349.517981 where: bonds (distance) C4'-P energy: -55.131 bonds (distance) P-C4' energy: -66.392 flat angles C4'-P-C4' energy: -72.653 flat angles P-C4'-P energy: -50.186 tors. eta vs tors. theta energy: -105.156 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: 4 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1160.855306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.855306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.855306 (E_RNA) where: Base-Base interactions energy: -806.391 where: short stacking energy: -341.358 Base-Backbone interact. energy: 0.420 local terms energy: -354.884708 where: bonds (distance) C4'-P energy: -61.842 bonds (distance) P-C4' energy: -69.478 flat angles C4'-P-C4' energy: -72.162 flat angles P-C4'-P energy: -50.903 tors. eta vs tors. theta energy: -100.499 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: 9 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1017.518232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.518232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.518232 (E_RNA) where: Base-Base interactions energy: -712.969 where: short stacking energy: -318.392 Base-Backbone interact. energy: 0.523 local terms energy: -305.072509 where: bonds (distance) C4'-P energy: -64.605 bonds (distance) P-C4' energy: -62.414 flat angles C4'-P-C4' energy: -61.080 flat angles P-C4'-P energy: -27.040 tors. eta vs tors. theta energy: -89.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1034.319833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.319833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.319833 (E_RNA) where: Base-Base interactions energy: -716.525 where: short stacking energy: -324.428 Base-Backbone interact. energy: 0.250 local terms energy: -318.045305 where: bonds (distance) C4'-P energy: -53.892 bonds (distance) P-C4' energy: -62.696 flat angles C4'-P-C4' energy: -70.845 flat angles P-C4'-P energy: -46.653 tors. eta vs tors. theta energy: -83.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -927.231514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.231514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.231514 (E_RNA) where: Base-Base interactions energy: -629.635 where: short stacking energy: -270.592 Base-Backbone interact. energy: -0.354 local terms energy: -297.242567 where: bonds (distance) C4'-P energy: -50.892 bonds (distance) P-C4' energy: -61.873 flat angles C4'-P-C4' energy: -72.929 flat angles P-C4'-P energy: -47.784 tors. eta vs tors. theta energy: -63.764 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: 5 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -953.947898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.947898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.947898 (E_RNA) where: Base-Base interactions energy: -676.986 where: short stacking energy: -280.615 Base-Backbone interact. energy: -0.716 local terms energy: -276.246034 where: bonds (distance) C4'-P energy: -48.055 bonds (distance) P-C4' energy: -57.430 flat angles C4'-P-C4' energy: -61.772 flat angles P-C4'-P energy: -38.538 tors. eta vs tors. theta energy: -70.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -844.752493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.752493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.752493 (E_RNA) where: Base-Base interactions energy: -589.817 where: short stacking energy: -226.866 Base-Backbone interact. energy: -0.458 local terms energy: -254.478288 where: bonds (distance) C4'-P energy: -52.234 bonds (distance) P-C4' energy: -60.118 flat angles C4'-P-C4' energy: -53.574 flat angles P-C4'-P energy: -32.928 tors. eta vs tors. theta energy: -55.623 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: 8 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -826.906078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.906078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.906078 (E_RNA) where: Base-Base interactions energy: -588.414 where: short stacking energy: -246.385 Base-Backbone interact. energy: 1.028 local terms energy: -239.520753 where: bonds (distance) C4'-P energy: -54.600 bonds (distance) P-C4' energy: -38.017 flat angles C4'-P-C4' energy: -60.065 flat angles P-C4'-P energy: -39.808 tors. eta vs tors. theta energy: -47.031 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: 9, replica: 7 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -715.987818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.987818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.987818 (E_RNA) where: Base-Base interactions energy: -487.762 where: short stacking energy: -221.278 Base-Backbone interact. energy: -0.569 local terms energy: -227.656246 where: bonds (distance) C4'-P energy: -49.332 bonds (distance) P-C4' energy: -42.019 flat angles C4'-P-C4' energy: -51.267 flat angles P-C4'-P energy: -37.617 tors. eta vs tors. theta energy: -47.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -471.691770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.691770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.691770 (E_RNA) where: Base-Base interactions energy: -274.280 where: short stacking energy: -124.464 Base-Backbone interact. energy: -0.047 local terms energy: -197.364433 where: bonds (distance) C4'-P energy: -51.824 bonds (distance) P-C4' energy: -55.439 flat angles C4'-P-C4' energy: -51.193 flat angles P-C4'-P energy: -24.168 tors. eta vs tors. theta energy: -14.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1197.066322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.066322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.066322 (E_RNA) where: Base-Base interactions energy: -832.856 where: short stacking energy: -359.409 Base-Backbone interact. energy: -1.561 local terms energy: -362.649744 where: bonds (distance) C4'-P energy: -60.570 bonds (distance) P-C4' energy: -64.199 flat angles C4'-P-C4' energy: -75.563 flat angles P-C4'-P energy: -54.725 tors. eta vs tors. theta energy: -107.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1155.930906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.930906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.930906 (E_RNA) where: Base-Base interactions energy: -826.792 where: short stacking energy: -358.706 Base-Backbone interact. energy: -2.332 local terms energy: -326.807233 where: bonds (distance) C4'-P energy: -52.960 bonds (distance) P-C4' energy: -55.568 flat angles C4'-P-C4' energy: -68.114 flat angles P-C4'-P energy: -46.674 tors. eta vs tors. theta energy: -103.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1037.272099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.272099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.272099 (E_RNA) where: Base-Base interactions energy: -698.982 where: short stacking energy: -323.790 Base-Backbone interact. energy: -1.478 local terms energy: -336.811845 where: bonds (distance) C4'-P energy: -61.363 bonds (distance) P-C4' energy: -63.192 flat angles C4'-P-C4' energy: -68.610 flat angles P-C4'-P energy: -48.995 tors. eta vs tors. theta energy: -94.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1008.469438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.469438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.469438 (E_RNA) where: Base-Base interactions energy: -724.848 where: short stacking energy: -303.752 Base-Backbone interact. energy: -1.980 local terms energy: -281.641853 where: bonds (distance) C4'-P energy: -43.588 bonds (distance) P-C4' energy: -47.046 flat angles C4'-P-C4' energy: -66.237 flat angles P-C4'-P energy: -50.857 tors. eta vs tors. theta energy: -73.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -966.328154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.328154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.328154 (E_RNA) where: Base-Base interactions energy: -660.957 where: short stacking energy: -267.063 Base-Backbone interact. energy: -3.369 local terms energy: -302.002784 where: bonds (distance) C4'-P energy: -57.102 bonds (distance) P-C4' energy: -61.398 flat angles C4'-P-C4' energy: -72.202 flat angles P-C4'-P energy: -43.845 tors. eta vs tors. theta energy: -67.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -944.101945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.101945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.101945 (E_RNA) where: Base-Base interactions energy: -667.409 where: short stacking energy: -291.343 Base-Backbone interact. energy: -0.853 local terms energy: -275.839902 where: bonds (distance) C4'-P energy: -52.185 bonds (distance) P-C4' energy: -55.486 flat angles C4'-P-C4' energy: -53.269 flat angles P-C4'-P energy: -39.067 tors. eta vs tors. theta energy: -75.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -869.168678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.168678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.168678 (E_RNA) where: Base-Base interactions energy: -597.827 where: short stacking energy: -249.082 Base-Backbone interact. energy: 3.242 local terms energy: -274.584319 where: bonds (distance) C4'-P energy: -52.099 bonds (distance) P-C4' energy: -62.565 flat angles C4'-P-C4' energy: -64.930 flat angles P-C4'-P energy: -36.525 tors. eta vs tors. theta energy: -58.465 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: 8 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -831.857100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.857100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.857100 (E_RNA) where: Base-Base interactions energy: -585.939 where: short stacking energy: -266.562 Base-Backbone interact. energy: -1.092 local terms energy: -244.825792 where: bonds (distance) C4'-P energy: -44.150 bonds (distance) P-C4' energy: -47.700 flat angles C4'-P-C4' energy: -55.883 flat angles P-C4'-P energy: -39.241 tors. eta vs tors. theta energy: -57.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -696.452300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.452300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.452300 (E_RNA) where: Base-Base interactions energy: -473.084 where: short stacking energy: -229.845 Base-Backbone interact. energy: 1.570 local terms energy: -224.938507 where: bonds (distance) C4'-P energy: -37.026 bonds (distance) P-C4' energy: -51.853 flat angles C4'-P-C4' energy: -54.324 flat angles P-C4'-P energy: -32.580 tors. eta vs tors. theta energy: -49.156 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: 2 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -442.124360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.124360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.124360 (E_RNA) where: Base-Base interactions energy: -248.477 where: short stacking energy: -117.048 Base-Backbone interact. energy: -0.898 local terms energy: -192.748797 where: bonds (distance) C4'-P energy: -52.040 bonds (distance) P-C4' energy: -54.884 flat angles C4'-P-C4' energy: -35.008 flat angles P-C4'-P energy: -32.212 tors. eta vs tors. theta energy: -18.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1172.847093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.847093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.847093 (E_RNA) where: Base-Base interactions energy: -826.723 where: short stacking energy: -354.531 Base-Backbone interact. energy: -2.456 local terms energy: -343.667480 where: bonds (distance) C4'-P energy: -68.429 bonds (distance) P-C4' energy: -60.113 flat angles C4'-P-C4' energy: -68.945 flat angles P-C4'-P energy: -47.891 tors. eta vs tors. theta energy: -98.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1177.350579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.350579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.350579 (E_RNA) where: Base-Base interactions energy: -823.237 where: short stacking energy: -346.026 Base-Backbone interact. energy: -2.150 local terms energy: -351.963752 where: bonds (distance) C4'-P energy: -65.980 bonds (distance) P-C4' energy: -62.082 flat angles C4'-P-C4' energy: -69.238 flat angles P-C4'-P energy: -56.663 tors. eta vs tors. theta energy: -98.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1030.503321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.503321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.503321 (E_RNA) where: Base-Base interactions energy: -723.684 where: short stacking energy: -299.173 Base-Backbone interact. energy: -1.837 local terms energy: -304.982934 where: bonds (distance) C4'-P energy: -56.882 bonds (distance) P-C4' energy: -63.831 flat angles C4'-P-C4' energy: -66.418 flat angles P-C4'-P energy: -40.789 tors. eta vs tors. theta energy: -77.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1030.901029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.901029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.901029 (E_RNA) where: Base-Base interactions energy: -722.159 where: short stacking energy: -325.001 Base-Backbone interact. energy: 3.529 local terms energy: -312.271180 where: bonds (distance) C4'-P energy: -56.784 bonds (distance) P-C4' energy: -58.652 flat angles C4'-P-C4' energy: -71.991 flat angles P-C4'-P energy: -35.869 tors. eta vs tors. theta energy: -88.976 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: 5 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -959.720945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.720945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.720945 (E_RNA) where: Base-Base interactions energy: -643.874 where: short stacking energy: -266.269 Base-Backbone interact. energy: -0.836 local terms energy: -315.011086 where: bonds (distance) C4'-P energy: -58.127 bonds (distance) P-C4' energy: -68.081 flat angles C4'-P-C4' energy: -68.311 flat angles P-C4'-P energy: -48.612 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: 6, replica: 6 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -900.688625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.688625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.688625 (E_RNA) where: Base-Base interactions energy: -627.056 where: short stacking energy: -268.377 Base-Backbone interact. energy: -1.711 local terms energy: -271.921905 where: bonds (distance) C4'-P energy: -56.390 bonds (distance) P-C4' energy: -58.462 flat angles C4'-P-C4' energy: -53.841 flat angles P-C4'-P energy: -36.982 tors. eta vs tors. theta energy: -66.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -898.285793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.285793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.285793 (E_RNA) where: Base-Base interactions energy: -615.987 where: short stacking energy: -251.178 Base-Backbone interact. energy: -1.144 local terms energy: -281.154725 where: bonds (distance) C4'-P energy: -56.256 bonds (distance) P-C4' energy: -53.953 flat angles C4'-P-C4' energy: -67.296 flat angles P-C4'-P energy: -41.002 tors. eta vs tors. theta energy: -62.647 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: 3 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -816.393443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.393443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.393443 (E_RNA) where: Base-Base interactions energy: -556.369 where: short stacking energy: -238.529 Base-Backbone interact. energy: -0.898 local terms energy: -259.126501 where: bonds (distance) C4'-P energy: -51.004 bonds (distance) P-C4' energy: -54.091 flat angles C4'-P-C4' energy: -64.260 flat angles P-C4'-P energy: -40.501 tors. eta vs tors. theta energy: -49.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -709.695108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.695108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.695108 (E_RNA) where: Base-Base interactions energy: -466.797 where: short stacking energy: -202.849 Base-Backbone interact. energy: -0.354 local terms energy: -242.544472 where: bonds (distance) C4'-P energy: -42.441 bonds (distance) P-C4' energy: -62.947 flat angles C4'-P-C4' energy: -67.991 flat angles P-C4'-P energy: -33.207 tors. eta vs tors. theta energy: -35.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -406.086068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.086068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.086068 (E_RNA) where: Base-Base interactions energy: -230.822 where: short stacking energy: -105.360 Base-Backbone interact. energy: 2.310 local terms energy: -177.574658 where: bonds (distance) C4'-P energy: -49.141 bonds (distance) P-C4' energy: -49.881 flat angles C4'-P-C4' energy: -53.566 flat angles P-C4'-P energy: -25.880 tors. eta vs tors. theta energy: 0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1173.788723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.788723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.788723 (E_RNA) where: Base-Base interactions energy: -823.181 where: short stacking energy: -354.919 Base-Backbone interact. energy: -1.400 local terms energy: -349.207808 where: bonds (distance) C4'-P energy: -65.319 bonds (distance) P-C4' energy: -64.040 flat angles C4'-P-C4' energy: -69.782 flat angles P-C4'-P energy: -54.673 tors. eta vs tors. theta energy: -95.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1178.841116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.841116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.841116 (E_RNA) where: Base-Base interactions energy: -834.705 where: short stacking energy: -351.969 Base-Backbone interact. energy: -2.004 local terms energy: -342.132004 where: bonds (distance) C4'-P energy: -48.300 bonds (distance) P-C4' energy: -62.907 flat angles C4'-P-C4' energy: -74.023 flat angles P-C4'-P energy: -55.224 tors. eta vs tors. theta energy: -101.678 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: 9 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1016.766570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.766570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.766570 (E_RNA) where: Base-Base interactions energy: -703.050 where: short stacking energy: -311.112 Base-Backbone interact. energy: -1.854 local terms energy: -311.862543 where: bonds (distance) C4'-P energy: -57.110 bonds (distance) P-C4' energy: -67.307 flat angles C4'-P-C4' energy: -65.202 flat angles P-C4'-P energy: -36.367 tors. eta vs tors. theta energy: -85.877 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: 4, replica: 1 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1012.637463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.637463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.637463 (E_RNA) where: Base-Base interactions energy: -704.590 where: short stacking energy: -308.760 Base-Backbone interact. energy: 0.176 local terms energy: -308.223875 where: bonds (distance) C4'-P energy: -56.349 bonds (distance) P-C4' energy: -61.880 flat angles C4'-P-C4' energy: -73.147 flat angles P-C4'-P energy: -39.802 tors. eta vs tors. theta energy: -77.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -994.638810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.638810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.638810 (E_RNA) where: Base-Base interactions energy: -697.788 where: short stacking energy: -293.160 Base-Backbone interact. energy: -1.742 local terms energy: -295.109055 where: bonds (distance) C4'-P energy: -58.824 bonds (distance) P-C4' energy: -56.269 flat angles C4'-P-C4' energy: -54.681 flat angles P-C4'-P energy: -49.335 tors. eta vs tors. theta energy: -76.000 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: 6 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -918.636705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.636705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.636705 (E_RNA) where: Base-Base interactions energy: -639.263 where: short stacking energy: -253.733 Base-Backbone interact. energy: -0.510 local terms energy: -278.863676 where: bonds (distance) C4'-P energy: -51.488 bonds (distance) P-C4' energy: -55.162 flat angles C4'-P-C4' energy: -61.087 flat angles P-C4'-P energy: -40.025 tors. eta vs tors. theta energy: -71.102 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: 8 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -887.952312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.952312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.952312 (E_RNA) where: Base-Base interactions energy: -594.286 where: short stacking energy: -262.141 Base-Backbone interact. energy: -0.890 local terms energy: -292.776058 where: bonds (distance) C4'-P energy: -53.405 bonds (distance) P-C4' energy: -66.503 flat angles C4'-P-C4' energy: -67.869 flat angles P-C4'-P energy: -38.466 tors. eta vs tors. theta energy: -66.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -818.285425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.285425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.285425 (E_RNA) where: Base-Base interactions energy: -558.939 where: short stacking energy: -226.969 Base-Backbone interact. energy: -1.833 local terms energy: -257.513792 where: bonds (distance) C4'-P energy: -53.016 bonds (distance) P-C4' energy: -52.751 flat angles C4'-P-C4' energy: -52.778 flat angles P-C4'-P energy: -40.665 tors. eta vs tors. theta energy: -58.304 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: 7 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -688.522064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.522064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.522064 (E_RNA) where: Base-Base interactions energy: -430.517 where: short stacking energy: -210.732 Base-Backbone interact. energy: 0.645 local terms energy: -258.650468 where: bonds (distance) C4'-P energy: -60.686 bonds (distance) P-C4' energy: -64.614 flat angles C4'-P-C4' energy: -57.438 flat angles P-C4'-P energy: -30.577 tors. eta vs tors. theta energy: -45.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -395.327609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.327609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.327609 (E_RNA) where: Base-Base interactions energy: -202.993 where: short stacking energy: -124.092 Base-Backbone interact. energy: -0.457 local terms energy: -191.877241 where: bonds (distance) C4'-P energy: -47.787 bonds (distance) P-C4' energy: -46.791 flat angles C4'-P-C4' energy: -47.099 flat angles P-C4'-P energy: -39.119 tors. eta vs tors. theta energy: -11.080 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: 10 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1186.686669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.686669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.686669 (E_RNA) where: Base-Base interactions energy: -822.718 where: short stacking energy: -351.422 Base-Backbone interact. energy: -0.358 local terms energy: -363.610773 where: bonds (distance) C4'-P energy: -72.468 bonds (distance) P-C4' energy: -64.911 flat angles C4'-P-C4' energy: -72.626 flat angles P-C4'-P energy: -51.708 tors. eta vs tors. theta energy: -101.899 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: 2, replica: 4 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1151.888159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.888159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.888159 (E_RNA) where: Base-Base interactions energy: -806.795 where: short stacking energy: -354.245 Base-Backbone interact. energy: -2.893 local terms energy: -342.200730 where: bonds (distance) C4'-P energy: -53.310 bonds (distance) P-C4' energy: -59.715 flat angles C4'-P-C4' energy: -72.739 flat angles P-C4'-P energy: -49.391 tors. eta vs tors. theta energy: -107.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1043.278393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.278393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.278393 (E_RNA) where: Base-Base interactions energy: -726.581 where: short stacking energy: -310.780 Base-Backbone interact. energy: -4.277 local terms energy: -312.420855 where: bonds (distance) C4'-P energy: -57.364 bonds (distance) P-C4' energy: -61.544 flat angles C4'-P-C4' energy: -59.934 flat angles P-C4'-P energy: -44.623 tors. eta vs tors. theta energy: -88.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1001.375257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.375257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.375257 (E_RNA) where: Base-Base interactions energy: -675.695 where: short stacking energy: -320.020 Base-Backbone interact. energy: 2.679 local terms energy: -328.358875 where: bonds (distance) C4'-P energy: -58.336 bonds (distance) P-C4' energy: -65.851 flat angles C4'-P-C4' energy: -68.195 flat angles P-C4'-P energy: -47.618 tors. eta vs tors. theta energy: -88.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1022.490198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.490198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.490198 (E_RNA) where: Base-Base interactions energy: -703.054 where: short stacking energy: -312.763 Base-Backbone interact. energy: -0.476 local terms energy: -318.960403 where: bonds (distance) C4'-P energy: -61.987 bonds (distance) P-C4' energy: -53.716 flat angles C4'-P-C4' energy: -68.265 flat angles P-C4'-P energy: -46.554 tors. eta vs tors. theta energy: -88.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -926.449797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.449797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.449797 (E_RNA) where: Base-Base interactions energy: -617.869 where: short stacking energy: -257.460 Base-Backbone interact. energy: -3.279 local terms energy: -305.302255 where: bonds (distance) C4'-P energy: -60.991 bonds (distance) P-C4' energy: -58.406 flat angles C4'-P-C4' energy: -68.865 flat angles P-C4'-P energy: -42.997 tors. eta vs tors. theta energy: -74.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -873.674322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.674322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.674322 (E_RNA) where: Base-Base interactions energy: -602.369 where: short stacking energy: -269.118 Base-Backbone interact. energy: 2.843 local terms energy: -274.148940 where: bonds (distance) C4'-P energy: -48.001 bonds (distance) P-C4' energy: -60.748 flat angles C4'-P-C4' energy: -51.585 flat angles P-C4'-P energy: -49.708 tors. eta vs tors. theta energy: -64.106 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: 8, replica: 3 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -786.848310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.848310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.848310 (E_RNA) where: Base-Base interactions energy: -549.610 where: short stacking energy: -232.176 Base-Backbone interact. energy: -1.639 local terms energy: -235.599010 where: bonds (distance) C4'-P energy: -47.289 bonds (distance) P-C4' energy: -52.597 flat angles C4'-P-C4' energy: -57.984 flat angles P-C4'-P energy: -30.196 tors. eta vs tors. theta energy: -47.532 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: 7 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -679.074453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.074453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.074453 (E_RNA) where: Base-Base interactions energy: -433.230 where: short stacking energy: -197.985 Base-Backbone interact. energy: 0.173 local terms energy: -246.017112 where: bonds (distance) C4'-P energy: -40.967 bonds (distance) P-C4' energy: -62.704 flat angles C4'-P-C4' energy: -61.076 flat angles P-C4'-P energy: -40.327 tors. eta vs tors. theta energy: -40.944 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: 2 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -409.664597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.664597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.664597 (E_RNA) where: Base-Base interactions energy: -210.124 where: short stacking energy: -123.356 Base-Backbone interact. energy: -1.729 local terms energy: -197.811405 where: bonds (distance) C4'-P energy: -50.831 bonds (distance) P-C4' energy: -46.191 flat angles C4'-P-C4' energy: -46.744 flat angles P-C4'-P energy: -33.750 tors. eta vs tors. theta energy: -20.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1195.269209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.269209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.269209 (E_RNA) where: Base-Base interactions energy: -842.907 where: short stacking energy: -373.798 Base-Backbone interact. energy: -0.911 local terms energy: -351.450667 where: bonds (distance) C4'-P energy: -61.802 bonds (distance) P-C4' energy: -68.988 flat angles C4'-P-C4' energy: -70.616 flat angles P-C4'-P energy: -49.637 tors. eta vs tors. theta energy: -100.407 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: 4 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1150.246047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.246047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.246047 (E_RNA) where: Base-Base interactions energy: -807.940 where: short stacking energy: -352.612 Base-Backbone interact. energy: -1.534 local terms energy: -340.772312 where: bonds (distance) C4'-P energy: -62.470 bonds (distance) P-C4' energy: -58.888 flat angles C4'-P-C4' energy: -68.287 flat angles P-C4'-P energy: -50.706 tors. eta vs tors. theta energy: -100.421 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: 1 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1046.097186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.097186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.097186 (E_RNA) where: Base-Base interactions energy: -727.475 where: short stacking energy: -310.255 Base-Backbone interact. energy: -1.059 local terms energy: -317.564011 where: bonds (distance) C4'-P energy: -57.970 bonds (distance) P-C4' energy: -61.621 flat angles C4'-P-C4' energy: -68.828 flat angles P-C4'-P energy: -44.771 tors. eta vs tors. theta energy: -84.373 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: 5 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1067.272516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.272516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.272516 (E_RNA) where: Base-Base interactions energy: -744.928 where: short stacking energy: -323.090 Base-Backbone interact. energy: -0.750 local terms energy: -321.594533 where: bonds (distance) C4'-P energy: -57.554 bonds (distance) P-C4' energy: -67.906 flat angles C4'-P-C4' energy: -61.611 flat angles P-C4'-P energy: -52.881 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: 5, replica: 9 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -972.756340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.756340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.756340 (E_RNA) where: Base-Base interactions energy: -662.933 where: short stacking energy: -294.659 Base-Backbone interact. energy: 3.043 local terms energy: -312.866571 where: bonds (distance) C4'-P energy: -61.036 bonds (distance) P-C4' energy: -59.999 flat angles C4'-P-C4' energy: -68.936 flat angles P-C4'-P energy: -38.107 tors. eta vs tors. theta energy: -84.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -922.121051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.121051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.121051 (E_RNA) where: Base-Base interactions energy: -641.886 where: short stacking energy: -277.681 Base-Backbone interact. energy: 0.922 local terms energy: -281.156957 where: bonds (distance) C4'-P energy: -47.373 bonds (distance) P-C4' energy: -62.669 flat angles C4'-P-C4' energy: -63.822 flat angles P-C4'-P energy: -34.679 tors. eta vs tors. theta energy: -72.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -866.322045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.322045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.322045 (E_RNA) where: Base-Base interactions energy: -596.709 where: short stacking energy: -254.057 Base-Backbone interact. energy: -1.649 local terms energy: -267.963675 where: bonds (distance) C4'-P energy: -58.801 bonds (distance) P-C4' energy: -49.200 flat angles C4'-P-C4' energy: -64.026 flat angles P-C4'-P energy: -49.363 tors. eta vs tors. theta energy: -46.574 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: 7 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -707.960961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.960961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.960961 (E_RNA) where: Base-Base interactions energy: -453.353 where: short stacking energy: -205.244 Base-Backbone interact. energy: -2.145 local terms energy: -252.463296 where: bonds (distance) C4'-P energy: -60.746 bonds (distance) P-C4' energy: -50.091 flat angles C4'-P-C4' energy: -63.764 flat angles P-C4'-P energy: -40.317 tors. eta vs tors. theta energy: -37.546 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: 3 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -779.501873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.501873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.501873 (E_RNA) where: Base-Base interactions energy: -554.691 where: short stacking energy: -229.715 Base-Backbone interact. energy: -0.934 local terms energy: -223.876769 where: bonds (distance) C4'-P energy: -49.431 bonds (distance) P-C4' energy: -58.117 flat angles C4'-P-C4' energy: -49.077 flat angles P-C4'-P energy: -24.681 tors. eta vs tors. theta energy: -42.572 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: 2 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -407.553849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.553849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.553849 (E_RNA) where: Base-Base interactions energy: -219.264 where: short stacking energy: -145.031 Base-Backbone interact. energy: -1.885 local terms energy: -186.405325 where: bonds (distance) C4'-P energy: -43.923 bonds (distance) P-C4' energy: -56.387 flat angles C4'-P-C4' energy: -47.202 flat angles P-C4'-P energy: -25.626 tors. eta vs tors. theta energy: -13.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1167.624302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.624302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.624302 (E_RNA) where: Base-Base interactions energy: -829.582 where: short stacking energy: -357.514 Base-Backbone interact. energy: -1.558 local terms energy: -336.483903 where: bonds (distance) C4'-P energy: -58.155 bonds (distance) P-C4' energy: -57.086 flat angles C4'-P-C4' energy: -67.913 flat angles P-C4'-P energy: -53.865 tors. eta vs tors. theta energy: -99.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1146.028608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.028608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.028608 (E_RNA) where: Base-Base interactions energy: -793.221 where: short stacking energy: -342.936 Base-Backbone interact. energy: -1.998 local terms energy: -350.809456 where: bonds (distance) C4'-P energy: -59.476 bonds (distance) P-C4' energy: -66.695 flat angles C4'-P-C4' energy: -68.079 flat angles P-C4'-P energy: -54.051 tors. eta vs tors. theta energy: -102.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1045.194751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.194751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.194751 (E_RNA) where: Base-Base interactions energy: -747.046 where: short stacking energy: -320.742 Base-Backbone interact. energy: -1.925 local terms energy: -296.222900 where: bonds (distance) C4'-P energy: -58.303 bonds (distance) P-C4' energy: -48.037 flat angles C4'-P-C4' energy: -65.136 flat angles P-C4'-P energy: -46.691 tors. eta vs tors. theta energy: -78.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1032.166365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.166365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.166365 (E_RNA) where: Base-Base interactions energy: -704.075 where: short stacking energy: -318.080 Base-Backbone interact. energy: -2.437 local terms energy: -325.654996 where: bonds (distance) C4'-P energy: -61.112 bonds (distance) P-C4' energy: -68.793 flat angles C4'-P-C4' energy: -66.206 flat angles P-C4'-P energy: -40.442 tors. eta vs tors. theta energy: -89.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -944.242596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.242596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.242596 (E_RNA) where: Base-Base interactions energy: -655.180 where: short stacking energy: -278.692 Base-Backbone interact. energy: 3.570 local terms energy: -292.632741 where: bonds (distance) C4'-P energy: -60.335 bonds (distance) P-C4' energy: -51.327 flat angles C4'-P-C4' energy: -61.943 flat angles P-C4'-P energy: -47.131 tors. eta vs tors. theta energy: -71.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -893.435715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.435715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.435715 (E_RNA) where: Base-Base interactions energy: -617.458 where: short stacking energy: -275.771 Base-Backbone interact. energy: -1.035 local terms energy: -274.942351 where: bonds (distance) C4'-P energy: -55.291 bonds (distance) P-C4' energy: -60.857 flat angles C4'-P-C4' energy: -48.716 flat angles P-C4'-P energy: -43.576 tors. eta vs tors. theta energy: -66.502 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: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -848.516936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.516936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.516936 (E_RNA) where: Base-Base interactions energy: -574.301 where: short stacking energy: -257.704 Base-Backbone interact. energy: -0.964 local terms energy: -273.251852 where: bonds (distance) C4'-P energy: -48.222 bonds (distance) P-C4' energy: -59.509 flat angles C4'-P-C4' energy: -63.915 flat angles P-C4'-P energy: -37.413 tors. eta vs tors. theta energy: -64.193 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: 250 Temperature: 1.250000 Total energy: -757.155606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.155606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.155606 (E_RNA) where: Base-Base interactions energy: -494.847 where: short stacking energy: -215.238 Base-Backbone interact. energy: -1.201 local terms energy: -261.106897 where: bonds (distance) C4'-P energy: -53.567 bonds (distance) P-C4' energy: -64.232 flat angles C4'-P-C4' energy: -56.522 flat angles P-C4'-P energy: -42.694 tors. eta vs tors. theta energy: -44.092 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: 9, replica: 3 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -793.147041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.147041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.147041 (E_RNA) where: Base-Base interactions energy: -532.156 where: short stacking energy: -225.175 Base-Backbone interact. energy: 2.587 local terms energy: -263.578714 where: bonds (distance) C4'-P energy: -52.575 bonds (distance) P-C4' energy: -53.972 flat angles C4'-P-C4' energy: -63.116 flat angles P-C4'-P energy: -42.558 tors. eta vs tors. theta energy: -51.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -415.309496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.309496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.309496 (E_RNA) where: Base-Base interactions energy: -237.138 where: short stacking energy: -133.109 Base-Backbone interact. energy: 1.411 local terms energy: -179.582941 where: bonds (distance) C4'-P energy: -48.089 bonds (distance) P-C4' energy: -45.735 flat angles C4'-P-C4' energy: -45.033 flat angles P-C4'-P energy: -31.022 tors. eta vs tors. theta energy: -9.704 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: 10 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1165.077746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.077746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.077746 (E_RNA) where: Base-Base interactions energy: -806.047 where: short stacking energy: -355.467 Base-Backbone interact. energy: -2.331 local terms energy: -356.699095 where: bonds (distance) C4'-P energy: -64.169 bonds (distance) P-C4' energy: -65.406 flat angles C4'-P-C4' energy: -74.226 flat angles P-C4'-P energy: -52.852 tors. eta vs tors. theta energy: -100.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1143.401891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.401891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.401891 (E_RNA) where: Base-Base interactions energy: -799.085 where: short stacking energy: -346.663 Base-Backbone interact. energy: -0.051 local terms energy: -344.265819 where: bonds (distance) C4'-P energy: -56.207 bonds (distance) P-C4' energy: -56.297 flat angles C4'-P-C4' energy: -75.607 flat angles P-C4'-P energy: -49.871 tors. eta vs tors. theta energy: -106.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1070.581566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.581566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.581566 (E_RNA) where: Base-Base interactions energy: -767.167 where: short stacking energy: -301.082 Base-Backbone interact. energy: -4.093 local terms energy: -299.320932 where: bonds (distance) C4'-P energy: -53.918 bonds (distance) P-C4' energy: -66.824 flat angles C4'-P-C4' energy: -68.932 flat angles P-C4'-P energy: -41.313 tors. eta vs tors. theta energy: -68.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1064.583135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.583135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.583135 (E_RNA) where: Base-Base interactions energy: -754.615 where: short stacking energy: -329.203 Base-Backbone interact. energy: 0.656 local terms energy: -310.623826 where: bonds (distance) C4'-P energy: -55.984 bonds (distance) P-C4' energy: -57.781 flat angles C4'-P-C4' energy: -69.624 flat angles P-C4'-P energy: -42.695 tors. eta vs tors. theta energy: -84.540 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: 5, replica: 6 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -966.923250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.923250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.923250 (E_RNA) where: Base-Base interactions energy: -656.395 where: short stacking energy: -264.184 Base-Backbone interact. energy: 1.498 local terms energy: -312.026260 where: bonds (distance) C4'-P energy: -59.784 bonds (distance) P-C4' energy: -66.180 flat angles C4'-P-C4' energy: -70.526 flat angles P-C4'-P energy: -46.468 tors. eta vs tors. theta energy: -69.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -901.849584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.849584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.849584 (E_RNA) where: Base-Base interactions energy: -648.245 where: short stacking energy: -261.542 Base-Backbone interact. energy: -1.581 local terms energy: -252.024563 where: bonds (distance) C4'-P energy: -50.997 bonds (distance) P-C4' energy: -51.909 flat angles C4'-P-C4' energy: -67.861 flat angles P-C4'-P energy: -28.832 tors. eta vs tors. theta energy: -52.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -870.430164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.430164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.430164 (E_RNA) where: Base-Base interactions energy: -593.870 where: short stacking energy: -254.235 Base-Backbone interact. energy: -1.698 local terms energy: -274.861233 where: bonds (distance) C4'-P energy: -57.856 bonds (distance) P-C4' energy: -48.595 flat angles C4'-P-C4' energy: -63.323 flat angles P-C4'-P energy: -42.537 tors. eta vs tors. theta energy: -62.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -814.678325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.678325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.678325 (E_RNA) where: Base-Base interactions energy: -562.702 where: short stacking energy: -244.286 Base-Backbone interact. energy: -1.904 local terms energy: -250.071983 where: bonds (distance) C4'-P energy: -48.424 bonds (distance) P-C4' energy: -65.508 flat angles C4'-P-C4' energy: -57.939 flat angles P-C4'-P energy: -30.323 tors. eta vs tors. theta energy: -47.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -721.373224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.373224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.373224 (E_RNA) where: Base-Base interactions energy: -479.552 where: short stacking energy: -216.025 Base-Backbone interact. energy: -2.081 local terms energy: -239.740199 where: bonds (distance) C4'-P energy: -46.279 bonds (distance) P-C4' energy: -50.117 flat angles C4'-P-C4' energy: -48.792 flat angles P-C4'-P energy: -48.084 tors. eta vs tors. theta energy: -46.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -406.955001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.955001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.955001 (E_RNA) where: Base-Base interactions energy: -218.628 where: short stacking energy: -122.834 Base-Backbone interact. energy: -0.962 local terms energy: -187.365309 where: bonds (distance) C4'-P energy: -60.813 bonds (distance) P-C4' energy: -48.714 flat angles C4'-P-C4' energy: -51.591 flat angles P-C4'-P energy: -16.464 tors. eta vs tors. theta energy: -9.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1187.919694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.919694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.919694 (E_RNA) where: Base-Base interactions energy: -824.946 where: short stacking energy: -358.812 Base-Backbone interact. energy: -0.520 local terms energy: -362.453187 where: bonds (distance) C4'-P energy: -67.775 bonds (distance) P-C4' energy: -60.499 flat angles C4'-P-C4' energy: -71.151 flat angles P-C4'-P energy: -54.008 tors. eta vs tors. theta energy: -109.021 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: 10 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1153.049962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.049962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.049962 (E_RNA) where: Base-Base interactions energy: -816.878 where: short stacking energy: -359.930 Base-Backbone interact. energy: -2.275 local terms energy: -333.897684 where: bonds (distance) C4'-P energy: -62.810 bonds (distance) P-C4' energy: -58.273 flat angles C4'-P-C4' energy: -69.657 flat angles P-C4'-P energy: -50.463 tors. eta vs tors. theta energy: -92.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1069.546848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.546848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.546848 (E_RNA) where: Base-Base interactions energy: -761.759 where: short stacking energy: -307.260 Base-Backbone interact. energy: 0.384 local terms energy: -308.172262 where: bonds (distance) C4'-P energy: -66.307 bonds (distance) P-C4' energy: -62.428 flat angles C4'-P-C4' energy: -58.336 flat angles P-C4'-P energy: -43.048 tors. eta vs tors. theta energy: -78.053 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: 5 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1040.172165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.172165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.172165 (E_RNA) where: Base-Base interactions energy: -728.273 where: short stacking energy: -330.263 Base-Backbone interact. energy: 0.079 local terms energy: -311.977865 where: bonds (distance) C4'-P energy: -51.027 bonds (distance) P-C4' energy: -56.902 flat angles C4'-P-C4' energy: -67.593 flat angles P-C4'-P energy: -45.249 tors. eta vs tors. theta energy: -91.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -988.713069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.713069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.713069 (E_RNA) where: Base-Base interactions energy: -686.444 where: short stacking energy: -282.094 Base-Backbone interact. energy: -2.381 local terms energy: -299.888044 where: bonds (distance) C4'-P energy: -54.448 bonds (distance) P-C4' energy: -69.502 flat angles C4'-P-C4' energy: -68.518 flat angles P-C4'-P energy: -32.689 tors. eta vs tors. theta energy: -74.730 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: 6, replica: 8 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -909.344564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.344564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.344564 (E_RNA) where: Base-Base interactions energy: -625.236 where: short stacking energy: -255.562 Base-Backbone interact. energy: -1.837 local terms energy: -282.272420 where: bonds (distance) C4'-P energy: -60.183 bonds (distance) P-C4' energy: -56.844 flat angles C4'-P-C4' energy: -64.779 flat angles P-C4'-P energy: -43.548 tors. eta vs tors. theta energy: -56.917 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: 9 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -862.483046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.483046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.483046 (E_RNA) where: Base-Base interactions energy: -604.590 where: short stacking energy: -251.397 Base-Backbone interact. energy: -1.092 local terms energy: -256.800753 where: bonds (distance) C4'-P energy: -43.583 bonds (distance) P-C4' energy: -60.451 flat angles C4'-P-C4' energy: -58.301 flat angles P-C4'-P energy: -34.404 tors. eta vs tors. theta energy: -60.061 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: 8, replica: 3 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -783.395494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.395494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.395494 (E_RNA) where: Base-Base interactions energy: -533.273 where: short stacking energy: -232.007 Base-Backbone interact. energy: -1.059 local terms energy: -249.063879 where: bonds (distance) C4'-P energy: -38.533 bonds (distance) P-C4' energy: -40.409 flat angles C4'-P-C4' energy: -70.596 flat angles P-C4'-P energy: -45.729 tors. eta vs tors. theta energy: -53.798 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: 9, replica: 7 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -705.006487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.006487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.006487 (E_RNA) where: Base-Base interactions energy: -468.762 where: short stacking energy: -211.678 Base-Backbone interact. energy: -1.741 local terms energy: -234.503850 where: bonds (distance) C4'-P energy: -51.140 bonds (distance) P-C4' energy: -58.336 flat angles C4'-P-C4' energy: -58.829 flat angles P-C4'-P energy: -27.151 tors. eta vs tors. theta energy: -39.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -391.707052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.707052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.707052 (E_RNA) where: Base-Base interactions energy: -217.686 where: short stacking energy: -137.990 Base-Backbone interact. energy: 2.196 local terms energy: -176.216803 where: bonds (distance) C4'-P energy: -42.108 bonds (distance) P-C4' energy: -53.413 flat angles C4'-P-C4' energy: -42.953 flat angles P-C4'-P energy: -25.362 tors. eta vs tors. theta energy: -12.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1168.172053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.172053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.172053 (E_RNA) where: Base-Base interactions energy: -816.672 where: short stacking energy: -343.153 Base-Backbone interact. energy: -0.852 local terms energy: -350.648657 where: bonds (distance) C4'-P energy: -58.043 bonds (distance) P-C4' energy: -68.471 flat angles C4'-P-C4' energy: -69.850 flat angles P-C4'-P energy: -55.817 tors. eta vs tors. theta energy: -98.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1161.510803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.510803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.510803 (E_RNA) where: Base-Base interactions energy: -800.855 where: short stacking energy: -346.825 Base-Backbone interact. energy: -2.057 local terms energy: -358.597838 where: bonds (distance) C4'-P energy: -63.827 bonds (distance) P-C4' energy: -65.921 flat angles C4'-P-C4' energy: -76.986 flat angles P-C4'-P energy: -54.086 tors. eta vs tors. theta energy: -97.777 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: 1 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1074.922473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.922473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.922473 (E_RNA) where: Base-Base interactions energy: -778.120 where: short stacking energy: -292.963 Base-Backbone interact. energy: -0.618 local terms energy: -296.184625 where: bonds (distance) C4'-P energy: -61.354 bonds (distance) P-C4' energy: -62.519 flat angles C4'-P-C4' energy: -63.669 flat angles P-C4'-P energy: -39.169 tors. eta vs tors. theta energy: -69.472 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: 5 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1036.426140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.426140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.426140 (E_RNA) where: Base-Base interactions energy: -719.013 where: short stacking energy: -300.771 Base-Backbone interact. energy: -2.223 local terms energy: -315.190469 where: bonds (distance) C4'-P energy: -54.165 bonds (distance) P-C4' energy: -69.183 flat angles C4'-P-C4' energy: -63.949 flat angles P-C4'-P energy: -49.480 tors. eta vs tors. theta energy: -78.413 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: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -976.675571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.675571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.675571 (E_RNA) where: Base-Base interactions energy: -677.790 where: short stacking energy: -274.641 Base-Backbone interact. energy: -1.853 local terms energy: -297.032559 where: bonds (distance) C4'-P energy: -55.638 bonds (distance) P-C4' energy: -62.949 flat angles C4'-P-C4' energy: -67.236 flat angles P-C4'-P energy: -40.646 tors. eta vs tors. theta energy: -70.563 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: 8 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -917.508474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.508474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.508474 (E_RNA) where: Base-Base interactions energy: -641.765 where: short stacking energy: -274.503 Base-Backbone interact. energy: -2.617 local terms energy: -273.126457 where: bonds (distance) C4'-P energy: -48.087 bonds (distance) P-C4' energy: -54.637 flat angles C4'-P-C4' energy: -62.921 flat angles P-C4'-P energy: -41.644 tors. eta vs tors. theta energy: -65.837 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: 7, replica: 9 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -890.804111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.804111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.804111 (E_RNA) where: Base-Base interactions energy: -610.904 where: short stacking energy: -256.054 Base-Backbone interact. energy: 0.600 local terms energy: -280.500544 where: bonds (distance) C4'-P energy: -53.543 bonds (distance) P-C4' energy: -63.690 flat angles C4'-P-C4' energy: -61.129 flat angles P-C4'-P energy: -38.962 tors. eta vs tors. theta energy: -63.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -785.389553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.389553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.389553 (E_RNA) where: Base-Base interactions energy: -540.778 where: short stacking energy: -238.104 Base-Backbone interact. energy: 2.815 local terms energy: -247.427261 where: bonds (distance) C4'-P energy: -53.295 bonds (distance) P-C4' energy: -45.755 flat angles C4'-P-C4' energy: -60.788 flat angles P-C4'-P energy: -41.007 tors. eta vs tors. theta energy: -46.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -702.867482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.867482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.867482 (E_RNA) where: Base-Base interactions energy: -457.792 where: short stacking energy: -222.632 Base-Backbone interact. energy: 0.709 local terms energy: -245.784202 where: bonds (distance) C4'-P energy: -54.587 bonds (distance) P-C4' energy: -57.343 flat angles C4'-P-C4' energy: -50.439 flat angles P-C4'-P energy: -40.121 tors. eta vs tors. theta energy: -43.293 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: 2 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -380.836887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.836887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.836887 (E_RNA) where: Base-Base interactions energy: -203.010 where: short stacking energy: -121.649 Base-Backbone interact. energy: -2.008 local terms energy: -175.818447 where: bonds (distance) C4'-P energy: -42.905 bonds (distance) P-C4' energy: -36.979 flat angles C4'-P-C4' energy: -47.496 flat angles P-C4'-P energy: -38.471 tors. eta vs tors. theta energy: -9.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1183.535122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.535122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.535122 (E_RNA) where: Base-Base interactions energy: -822.697 where: short stacking energy: -358.920 Base-Backbone interact. energy: 0.005 local terms energy: -360.844027 where: bonds (distance) C4'-P energy: -57.489 bonds (distance) P-C4' energy: -68.218 flat angles C4'-P-C4' energy: -80.460 flat angles P-C4'-P energy: -51.956 tors. eta vs tors. theta energy: -102.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1157.140254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.140254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.140254 (E_RNA) where: Base-Base interactions energy: -813.413 where: short stacking energy: -338.728 Base-Backbone interact. energy: -0.028 local terms energy: -343.699369 where: bonds (distance) C4'-P energy: -55.836 bonds (distance) P-C4' energy: -65.083 flat angles C4'-P-C4' energy: -78.241 flat angles P-C4'-P energy: -44.605 tors. eta vs tors. theta energy: -99.935 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: 3, replica: 1 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1092.121212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.121212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.121212 (E_RNA) where: Base-Base interactions energy: -786.790 where: short stacking energy: -310.080 Base-Backbone interact. energy: -2.951 local terms energy: -302.380586 where: bonds (distance) C4'-P energy: -65.636 bonds (distance) P-C4' energy: -56.579 flat angles C4'-P-C4' energy: -67.991 flat angles P-C4'-P energy: -39.785 tors. eta vs tors. theta energy: -72.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1055.211799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.211799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.211799 (E_RNA) where: Base-Base interactions energy: -723.663 where: short stacking energy: -315.150 Base-Backbone interact. energy: -0.748 local terms energy: -330.800744 where: bonds (distance) C4'-P energy: -66.003 bonds (distance) P-C4' energy: -62.174 flat angles C4'-P-C4' energy: -68.428 flat angles P-C4'-P energy: -47.537 tors. eta vs tors. theta energy: -86.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -935.562140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.562140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.562140 (E_RNA) where: Base-Base interactions energy: -642.875 where: short stacking energy: -267.152 Base-Backbone interact. energy: 0.474 local terms energy: -293.160503 where: bonds (distance) C4'-P energy: -60.108 bonds (distance) P-C4' energy: -58.070 flat angles C4'-P-C4' energy: -72.262 flat angles P-C4'-P energy: -41.110 tors. eta vs tors. theta energy: -61.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -932.177267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.177267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.177267 (E_RNA) where: Base-Base interactions energy: -646.777 where: short stacking energy: -264.901 Base-Backbone interact. energy: -0.668 local terms energy: -284.732493 where: bonds (distance) C4'-P energy: -58.266 bonds (distance) P-C4' energy: -56.767 flat angles C4'-P-C4' energy: -59.588 flat angles P-C4'-P energy: -44.819 tors. eta vs tors. theta energy: -65.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -799.568794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.568794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.568794 (E_RNA) where: Base-Base interactions energy: -569.680 where: short stacking energy: -252.912 Base-Backbone interact. energy: -1.670 local terms energy: -228.219148 where: bonds (distance) C4'-P energy: -50.907 bonds (distance) P-C4' energy: -53.887 flat angles C4'-P-C4' energy: -46.127 flat angles P-C4'-P energy: -27.897 tors. eta vs tors. theta energy: -49.401 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: 9 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -876.648119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.648119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.648119 (E_RNA) where: Base-Base interactions energy: -598.935 where: short stacking energy: -245.956 Base-Backbone interact. energy: -0.633 local terms energy: -277.080273 where: bonds (distance) C4'-P energy: -61.951 bonds (distance) P-C4' energy: -60.495 flat angles C4'-P-C4' energy: -65.013 flat angles P-C4'-P energy: -35.332 tors. eta vs tors. theta energy: -54.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -677.949445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.949445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.949445 (E_RNA) where: Base-Base interactions energy: -445.253 where: short stacking energy: -205.098 Base-Backbone interact. energy: 0.630 local terms energy: -233.327060 where: bonds (distance) C4'-P energy: -57.916 bonds (distance) P-C4' energy: -52.125 flat angles C4'-P-C4' energy: -54.063 flat angles P-C4'-P energy: -30.742 tors. eta vs tors. theta energy: -38.481 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: 2 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -408.732841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.732841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.732841 (E_RNA) where: Base-Base interactions energy: -214.225 where: short stacking energy: -113.889 Base-Backbone interact. energy: 1.032 local terms energy: -195.539727 where: bonds (distance) C4'-P energy: -59.245 bonds (distance) P-C4' energy: -50.932 flat angles C4'-P-C4' energy: -39.387 flat angles P-C4'-P energy: -29.450 tors. eta vs tors. theta energy: -16.526 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: 255 Temperature: 0.900000 Total energy: -1166.104558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.104558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.104558 (E_RNA) where: Base-Base interactions energy: -816.979 where: short stacking energy: -367.750 Base-Backbone interact. energy: -0.512 local terms energy: -348.612798 where: bonds (distance) C4'-P energy: -61.234 bonds (distance) P-C4' energy: -66.887 flat angles C4'-P-C4' energy: -65.216 flat angles P-C4'-P energy: -49.027 tors. eta vs tors. theta energy: -106.249 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: 10 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1155.851988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.851988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.851988 (E_RNA) where: Base-Base interactions energy: -827.070 where: short stacking energy: -330.090 Base-Backbone interact. energy: -0.090 local terms energy: -328.691326 where: bonds (distance) C4'-P energy: -63.004 bonds (distance) P-C4' energy: -70.060 flat angles C4'-P-C4' energy: -61.060 flat angles P-C4'-P energy: -43.682 tors. eta vs tors. theta energy: -90.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1074.000437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.000437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.000437 (E_RNA) where: Base-Base interactions energy: -764.685 where: short stacking energy: -294.657 Base-Backbone interact. energy: -2.535 local terms energy: -306.779739 where: bonds (distance) C4'-P energy: -64.944 bonds (distance) P-C4' energy: -64.470 flat angles C4'-P-C4' energy: -60.791 flat angles P-C4'-P energy: -44.555 tors. eta vs tors. theta energy: -72.020 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: 5 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1034.578752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.578752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.578752 (E_RNA) where: Base-Base interactions energy: -711.196 where: short stacking energy: -320.905 Base-Backbone interact. energy: -1.805 local terms energy: -321.577001 where: bonds (distance) C4'-P energy: -57.114 bonds (distance) P-C4' energy: -61.969 flat angles C4'-P-C4' energy: -66.569 flat angles P-C4'-P energy: -51.493 tors. eta vs tors. theta energy: -84.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -953.767018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.767018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.767018 (E_RNA) where: Base-Base interactions energy: -663.240 where: short stacking energy: -285.837 Base-Backbone interact. energy: -0.390 local terms energy: -290.136924 where: bonds (distance) C4'-P energy: -56.104 bonds (distance) P-C4' energy: -65.546 flat angles C4'-P-C4' energy: -61.912 flat angles P-C4'-P energy: -44.033 tors. eta vs tors. theta energy: -62.542 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: 8 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -892.445899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.445899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.445899 (E_RNA) where: Base-Base interactions energy: -601.325 where: short stacking energy: -255.547 Base-Backbone interact. energy: -0.906 local terms energy: -290.214587 where: bonds (distance) C4'-P energy: -58.125 bonds (distance) P-C4' energy: -61.295 flat angles C4'-P-C4' energy: -60.169 flat angles P-C4'-P energy: -48.609 tors. eta vs tors. theta energy: -62.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -846.079618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.079618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.079618 (E_RNA) where: Base-Base interactions energy: -601.768 where: short stacking energy: -265.485 Base-Backbone interact. energy: -3.245 local terms energy: -241.066455 where: bonds (distance) C4'-P energy: -38.045 bonds (distance) P-C4' energy: -54.526 flat angles C4'-P-C4' energy: -53.732 flat angles P-C4'-P energy: -36.622 tors. eta vs tors. theta energy: -58.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -815.507046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.507046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.507046 (E_RNA) where: Base-Base interactions energy: -574.981 where: short stacking energy: -245.156 Base-Backbone interact. energy: 0.617 local terms energy: -241.142689 where: bonds (distance) C4'-P energy: -44.594 bonds (distance) P-C4' energy: -47.798 flat angles C4'-P-C4' energy: -62.259 flat angles P-C4'-P energy: -27.564 tors. eta vs tors. theta energy: -58.927 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: 7 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -668.896390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.896390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.896390 (E_RNA) where: Base-Base interactions energy: -438.339 where: short stacking energy: -208.656 Base-Backbone interact. energy: -1.688 local terms energy: -228.868882 where: bonds (distance) C4'-P energy: -55.204 bonds (distance) P-C4' energy: -49.648 flat angles C4'-P-C4' energy: -55.189 flat angles P-C4'-P energy: -26.937 tors. eta vs tors. theta energy: -41.892 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: 2 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -365.740543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.740543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.740543 (E_RNA) where: Base-Base interactions energy: -177.730 where: short stacking energy: -118.587 Base-Backbone interact. energy: -0.579 local terms energy: -187.432245 where: bonds (distance) C4'-P energy: -49.810 bonds (distance) P-C4' energy: -64.715 flat angles C4'-P-C4' energy: -35.668 flat angles P-C4'-P energy: -32.295 tors. eta vs tors. theta energy: -4.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1182.739062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.739062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.739062 (E_RNA) where: Base-Base interactions energy: -837.237 where: short stacking energy: -358.249 Base-Backbone interact. energy: 1.607 local terms energy: -347.109013 where: bonds (distance) C4'-P energy: -60.557 bonds (distance) P-C4' energy: -66.724 flat angles C4'-P-C4' energy: -67.948 flat angles P-C4'-P energy: -50.986 tors. eta vs tors. theta energy: -100.894 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: 10 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1141.869096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.869096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.869096 (E_RNA) where: Base-Base interactions energy: -813.991 where: short stacking energy: -339.452 Base-Backbone interact. energy: -1.080 local terms energy: -326.798076 where: bonds (distance) C4'-P energy: -57.205 bonds (distance) P-C4' energy: -63.237 flat angles C4'-P-C4' energy: -68.957 flat angles P-C4'-P energy: -48.378 tors. eta vs tors. theta energy: -89.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1091.570366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.570366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.570366 (E_RNA) where: Base-Base interactions energy: -776.616 where: short stacking energy: -298.667 Base-Backbone interact. energy: -3.761 local terms energy: -311.194050 where: bonds (distance) C4'-P energy: -59.790 bonds (distance) P-C4' energy: -58.532 flat angles C4'-P-C4' energy: -65.330 flat angles P-C4'-P energy: -49.285 tors. eta vs tors. theta energy: -78.256 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: 5 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1051.972335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.972335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.972335 (E_RNA) where: Base-Base interactions energy: -726.978 where: short stacking energy: -325.177 Base-Backbone interact. energy: -1.232 local terms energy: -323.761660 where: bonds (distance) C4'-P energy: -58.137 bonds (distance) P-C4' energy: -62.509 flat angles C4'-P-C4' energy: -71.885 flat angles P-C4'-P energy: -38.790 tors. eta vs tors. theta energy: -92.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -971.301249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.301249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.301249 (E_RNA) where: Base-Base interactions energy: -674.440 where: short stacking energy: -267.492 Base-Backbone interact. energy: -2.289 local terms energy: -294.572418 where: bonds (distance) C4'-P energy: -51.521 bonds (distance) P-C4' energy: -62.793 flat angles C4'-P-C4' energy: -70.174 flat angles P-C4'-P energy: -39.424 tors. eta vs tors. theta energy: -70.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -893.665838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.665838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.665838 (E_RNA) where: Base-Base interactions energy: -608.383 where: short stacking energy: -258.387 Base-Backbone interact. energy: 0.981 local terms energy: -286.263884 where: bonds (distance) C4'-P energy: -58.766 bonds (distance) P-C4' energy: -61.795 flat angles C4'-P-C4' energy: -54.275 flat angles P-C4'-P energy: -40.058 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: 7, replica: 3 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -828.785802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.785802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.785802 (E_RNA) where: Base-Base interactions energy: -570.466 where: short stacking energy: -244.802 Base-Backbone interact. energy: -0.820 local terms energy: -257.500053 where: bonds (distance) C4'-P energy: -60.331 bonds (distance) P-C4' energy: -52.034 flat angles C4'-P-C4' energy: -51.372 flat angles P-C4'-P energy: -38.206 tors. eta vs tors. theta energy: -55.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -802.080316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.080316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.080316 (E_RNA) where: Base-Base interactions energy: -548.410 where: short stacking energy: -218.094 Base-Backbone interact. energy: -2.196 local terms energy: -251.474162 where: bonds (distance) C4'-P energy: -41.988 bonds (distance) P-C4' energy: -51.299 flat angles C4'-P-C4' energy: -59.586 flat angles P-C4'-P energy: -46.022 tors. eta vs tors. theta energy: -52.579 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: 9, replica: 7 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -670.620214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.620214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.620214 (E_RNA) where: Base-Base interactions energy: -451.272 where: short stacking energy: -202.547 Base-Backbone interact. energy: -0.611 local terms energy: -218.736977 where: bonds (distance) C4'-P energy: -61.872 bonds (distance) P-C4' energy: -47.141 flat angles C4'-P-C4' energy: -46.625 flat angles P-C4'-P energy: -24.397 tors. eta vs tors. theta energy: -38.703 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: 10, replica: 2 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -337.540843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.540843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.540843 (E_RNA) where: Base-Base interactions energy: -170.538 where: short stacking energy: -109.231 Base-Backbone interact. energy: -1.582 local terms energy: -165.420596 where: bonds (distance) C4'-P energy: -40.789 bonds (distance) P-C4' energy: -60.268 flat angles C4'-P-C4' energy: -32.962 flat angles P-C4'-P energy: -27.704 tors. eta vs tors. theta energy: -3.698 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: 4 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1176.400203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.400203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.400203 (E_RNA) where: Base-Base interactions energy: -819.291 where: short stacking energy: -354.009 Base-Backbone interact. energy: -0.660 local terms energy: -356.448661 where: bonds (distance) C4'-P energy: -65.327 bonds (distance) P-C4' energy: -60.387 flat angles C4'-P-C4' energy: -70.274 flat angles P-C4'-P energy: -56.159 tors. eta vs tors. theta energy: -104.302 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: 2, replica: 10 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1152.506481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.506481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.506481 (E_RNA) where: Base-Base interactions energy: -812.683 where: short stacking energy: -338.968 Base-Backbone interact. energy: -0.923 local terms energy: -338.901232 where: bonds (distance) C4'-P energy: -63.772 bonds (distance) P-C4' energy: -68.429 flat angles C4'-P-C4' energy: -65.567 flat angles P-C4'-P energy: -49.453 tors. eta vs tors. theta energy: -91.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1054.440540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.440540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.440540 (E_RNA) where: Base-Base interactions energy: -749.636 where: short stacking energy: -313.681 Base-Backbone interact. energy: -1.580 local terms energy: -303.224705 where: bonds (distance) C4'-P energy: -55.122 bonds (distance) P-C4' energy: -64.042 flat angles C4'-P-C4' energy: -65.973 flat angles P-C4'-P energy: -38.012 tors. eta vs tors. theta energy: -80.075 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: 5 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1071.462903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.462903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.462903 (E_RNA) where: Base-Base interactions energy: -744.287 where: short stacking energy: -332.896 Base-Backbone interact. energy: 1.217 local terms energy: -328.393245 where: bonds (distance) C4'-P energy: -63.653 bonds (distance) P-C4' energy: -60.756 flat angles C4'-P-C4' energy: -72.911 flat angles P-C4'-P energy: -39.531 tors. eta vs tors. theta energy: -91.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -983.912519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.912519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.912519 (E_RNA) where: Base-Base interactions energy: -688.150 where: short stacking energy: -263.113 Base-Backbone interact. energy: -1.826 local terms energy: -293.936581 where: bonds (distance) C4'-P energy: -63.403 bonds (distance) P-C4' energy: -67.105 flat angles C4'-P-C4' energy: -57.399 flat angles P-C4'-P energy: -41.014 tors. eta vs tors. theta energy: -65.016 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: 8 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -902.005417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.005417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.005417 (E_RNA) where: Base-Base interactions energy: -628.029 where: short stacking energy: -257.136 Base-Backbone interact. energy: -2.249 local terms energy: -271.727552 where: bonds (distance) C4'-P energy: -53.655 bonds (distance) P-C4' energy: -64.044 flat angles C4'-P-C4' energy: -46.278 flat angles P-C4'-P energy: -41.341 tors. eta vs tors. theta energy: -66.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -846.912504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.912504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.912504 (E_RNA) where: Base-Base interactions energy: -560.596 where: short stacking energy: -260.234 Base-Backbone interact. energy: -0.392 local terms energy: -285.924545 where: bonds (distance) C4'-P energy: -56.795 bonds (distance) P-C4' energy: -62.694 flat angles C4'-P-C4' energy: -58.712 flat angles P-C4'-P energy: -42.999 tors. eta vs tors. theta energy: -64.724 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: 257 Temperature: 1.250000 Total energy: -821.296257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.296257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.296257 (E_RNA) where: Base-Base interactions energy: -584.438 where: short stacking energy: -242.422 Base-Backbone interact. energy: 1.192 local terms energy: -238.050423 where: bonds (distance) C4'-P energy: -48.429 bonds (distance) P-C4' energy: -38.744 flat angles C4'-P-C4' energy: -58.962 flat angles P-C4'-P energy: -28.007 tors. eta vs tors. theta energy: -63.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -662.978889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.978889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.978889 (E_RNA) where: Base-Base interactions energy: -435.816 where: short stacking energy: -199.243 Base-Backbone interact. energy: -0.806 local terms energy: -226.356887 where: bonds (distance) C4'-P energy: -50.746 bonds (distance) P-C4' energy: -40.799 flat angles C4'-P-C4' energy: -60.813 flat angles P-C4'-P energy: -35.855 tors. eta vs tors. theta energy: -38.144 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: 2 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -347.043715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.043715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.043715 (E_RNA) where: Base-Base interactions energy: -170.782 where: short stacking energy: -108.337 Base-Backbone interact. energy: 1.718 local terms energy: -177.979661 where: bonds (distance) C4'-P energy: -49.008 bonds (distance) P-C4' energy: -48.091 flat angles C4'-P-C4' energy: -61.194 flat angles P-C4'-P energy: -21.899 tors. eta vs tors. theta energy: 2.213 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: 4 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1199.665074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.665074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.665074 (E_RNA) where: Base-Base interactions energy: -853.953 where: short stacking energy: -373.239 Base-Backbone interact. energy: -0.862 local terms energy: -344.850866 where: bonds (distance) C4'-P energy: -62.157 bonds (distance) P-C4' energy: -62.873 flat angles C4'-P-C4' energy: -66.922 flat angles P-C4'-P energy: -45.706 tors. eta vs tors. theta energy: -107.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1161.512039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.512039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.512039 (E_RNA) where: Base-Base interactions energy: -828.186 where: short stacking energy: -348.102 Base-Backbone interact. energy: -2.558 local terms energy: -330.768974 where: bonds (distance) C4'-P energy: -59.992 bonds (distance) P-C4' energy: -59.640 flat angles C4'-P-C4' energy: -69.292 flat angles P-C4'-P energy: -50.924 tors. eta vs tors. theta energy: -90.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1084.622931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.622931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.622931 (E_RNA) where: Base-Base interactions energy: -770.662 where: short stacking energy: -303.867 Base-Backbone interact. energy: -2.106 local terms energy: -311.854938 where: bonds (distance) C4'-P energy: -54.411 bonds (distance) P-C4' energy: -60.679 flat angles C4'-P-C4' energy: -70.233 flat angles P-C4'-P energy: -46.172 tors. eta vs tors. theta energy: -80.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1040.612608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.612608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.612608 (E_RNA) where: Base-Base interactions energy: -711.540 where: short stacking energy: -325.097 Base-Backbone interact. energy: -3.549 local terms energy: -325.523696 where: bonds (distance) C4'-P energy: -67.817 bonds (distance) P-C4' energy: -60.506 flat angles C4'-P-C4' energy: -76.985 flat angles P-C4'-P energy: -33.134 tors. eta vs tors. theta energy: -87.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -977.194224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.194224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.194224 (E_RNA) where: Base-Base interactions energy: -679.328 where: short stacking energy: -278.015 Base-Backbone interact. energy: -1.467 local terms energy: -296.399507 where: bonds (distance) C4'-P energy: -62.006 bonds (distance) P-C4' energy: -57.826 flat angles C4'-P-C4' energy: -64.897 flat angles P-C4'-P energy: -38.552 tors. eta vs tors. theta energy: -73.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -929.473877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.473877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.473877 (E_RNA) where: Base-Base interactions energy: -647.118 where: short stacking energy: -287.749 Base-Backbone interact. energy: 1.148 local terms energy: -283.503758 where: bonds (distance) C4'-P energy: -54.454 bonds (distance) P-C4' energy: -63.978 flat angles C4'-P-C4' energy: -64.277 flat angles P-C4'-P energy: -34.417 tors. eta vs tors. theta energy: -66.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -889.589247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.589247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.589247 (E_RNA) where: Base-Base interactions energy: -603.033 where: short stacking energy: -257.886 Base-Backbone interact. energy: -0.749 local terms energy: -285.807157 where: bonds (distance) C4'-P energy: -54.078 bonds (distance) P-C4' energy: -54.051 flat angles C4'-P-C4' energy: -66.763 flat angles P-C4'-P energy: -37.976 tors. eta vs tors. theta energy: -72.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -809.963597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.963597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.963597 (E_RNA) where: Base-Base interactions energy: -555.149 where: short stacking energy: -251.705 Base-Backbone interact. energy: 0.255 local terms energy: -255.068979 where: bonds (distance) C4'-P energy: -60.408 bonds (distance) P-C4' energy: -59.370 flat angles C4'-P-C4' energy: -50.473 flat angles P-C4'-P energy: -20.441 tors. eta vs tors. theta energy: -64.378 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: 7 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -668.555337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.555337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.555337 (E_RNA) where: Base-Base interactions energy: -428.188 where: short stacking energy: -207.020 Base-Backbone interact. energy: -2.235 local terms energy: -238.132678 where: bonds (distance) C4'-P energy: -43.988 bonds (distance) P-C4' energy: -61.680 flat angles C4'-P-C4' energy: -53.497 flat angles P-C4'-P energy: -27.216 tors. eta vs tors. theta energy: -51.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -391.098898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.098898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.098898 (E_RNA) where: Base-Base interactions energy: -210.508 where: short stacking energy: -129.421 Base-Backbone interact. energy: -2.238 local terms energy: -178.353342 where: bonds (distance) C4'-P energy: -43.194 bonds (distance) P-C4' energy: -59.213 flat angles C4'-P-C4' energy: -39.478 flat angles P-C4'-P energy: -26.417 tors. eta vs tors. theta energy: -10.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1183.790368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.790368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.790368 (E_RNA) where: Base-Base interactions energy: -837.339 where: short stacking energy: -361.470 Base-Backbone interact. energy: -1.411 local terms energy: -345.040314 where: bonds (distance) C4'-P energy: -60.339 bonds (distance) P-C4' energy: -64.722 flat angles C4'-P-C4' energy: -71.563 flat angles P-C4'-P energy: -46.338 tors. eta vs tors. theta energy: -102.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1162.989518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.989518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.989518 (E_RNA) where: Base-Base interactions energy: -813.512 where: short stacking energy: -345.670 Base-Backbone interact. energy: -0.022 local terms energy: -349.455006 where: bonds (distance) C4'-P energy: -59.607 bonds (distance) P-C4' energy: -67.849 flat angles C4'-P-C4' energy: -77.136 flat angles P-C4'-P energy: -46.386 tors. eta vs tors. theta energy: -98.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1078.520532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.520532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.520532 (E_RNA) where: Base-Base interactions energy: -758.254 where: short stacking energy: -309.830 Base-Backbone interact. energy: -2.510 local terms energy: -317.755973 where: bonds (distance) C4'-P energy: -53.681 bonds (distance) P-C4' energy: -64.623 flat angles C4'-P-C4' energy: -68.998 flat angles P-C4'-P energy: -49.581 tors. eta vs tors. theta energy: -80.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1054.598701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.598701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.598701 (E_RNA) where: Base-Base interactions energy: -725.287 where: short stacking energy: -332.044 Base-Backbone interact. energy: -0.259 local terms energy: -329.053151 where: bonds (distance) C4'-P energy: -58.608 bonds (distance) P-C4' energy: -62.257 flat angles C4'-P-C4' energy: -71.134 flat angles P-C4'-P energy: -49.812 tors. eta vs tors. theta energy: -87.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -942.226043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.226043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.226043 (E_RNA) where: Base-Base interactions energy: -645.281 where: short stacking energy: -261.835 Base-Backbone interact. energy: -3.343 local terms energy: -293.602807 where: bonds (distance) C4'-P energy: -63.791 bonds (distance) P-C4' energy: -55.518 flat angles C4'-P-C4' energy: -65.048 flat angles P-C4'-P energy: -45.743 tors. eta vs tors. theta energy: -63.503 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: 6, replica: 8 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -917.185389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.185389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.185389 (E_RNA) where: Base-Base interactions energy: -628.590 where: short stacking energy: -264.692 Base-Backbone interact. energy: -1.016 local terms energy: -287.579516 where: bonds (distance) C4'-P energy: -48.939 bonds (distance) P-C4' energy: -65.850 flat angles C4'-P-C4' energy: -66.105 flat angles P-C4'-P energy: -47.138 tors. eta vs tors. theta energy: -59.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -886.480186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.480186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.480186 (E_RNA) where: Base-Base interactions energy: -621.389 where: short stacking energy: -266.336 Base-Backbone interact. energy: -1.095 local terms energy: -263.996950 where: bonds (distance) C4'-P energy: -54.583 bonds (distance) P-C4' energy: -48.924 flat angles C4'-P-C4' energy: -59.442 flat angles P-C4'-P energy: -30.967 tors. eta vs tors. theta energy: -70.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -760.016137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.016137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.016137 (E_RNA) where: Base-Base interactions energy: -514.738 where: short stacking energy: -213.970 Base-Backbone interact. energy: 2.332 local terms energy: -247.609315 where: bonds (distance) C4'-P energy: -52.296 bonds (distance) P-C4' energy: -41.708 flat angles C4'-P-C4' energy: -63.484 flat angles P-C4'-P energy: -44.988 tors. eta vs tors. theta energy: -45.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -682.230505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.230505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.230505 (E_RNA) where: Base-Base interactions energy: -443.655 where: short stacking energy: -221.098 Base-Backbone interact. energy: -0.481 local terms energy: -238.094457 where: bonds (distance) C4'-P energy: -36.870 bonds (distance) P-C4' energy: -55.493 flat angles C4'-P-C4' energy: -56.964 flat angles P-C4'-P energy: -41.319 tors. eta vs tors. theta energy: -47.449 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: 2 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -376.343510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.343510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.343510 (E_RNA) where: Base-Base interactions energy: -196.075 where: short stacking energy: -115.786 Base-Backbone interact. energy: 2.630 local terms energy: -182.898121 where: bonds (distance) C4'-P energy: -46.502 bonds (distance) P-C4' energy: -60.821 flat angles C4'-P-C4' energy: -38.323 flat angles P-C4'-P energy: -30.055 tors. eta vs tors. theta energy: -7.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1176.961103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.961103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.961103 (E_RNA) where: Base-Base interactions energy: -834.418 where: short stacking energy: -346.997 Base-Backbone interact. energy: 1.331 local terms energy: -343.874007 where: bonds (distance) C4'-P energy: -65.787 bonds (distance) P-C4' energy: -70.350 flat angles C4'-P-C4' energy: -66.549 flat angles P-C4'-P energy: -45.719 tors. eta vs tors. theta energy: -95.469 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: 4 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1147.605280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.605280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.605280 (E_RNA) where: Base-Base interactions energy: -790.122 where: short stacking energy: -341.388 Base-Backbone interact. energy: -1.733 local terms energy: -355.750438 where: bonds (distance) C4'-P energy: -69.621 bonds (distance) P-C4' energy: -69.352 flat angles C4'-P-C4' energy: -63.066 flat angles P-C4'-P energy: -48.554 tors. eta vs tors. theta energy: -105.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1097.005954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.005954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.005954 (E_RNA) where: Base-Base interactions energy: -767.617 where: short stacking energy: -313.448 Base-Backbone interact. energy: -3.371 local terms energy: -326.017917 where: bonds (distance) C4'-P energy: -70.857 bonds (distance) P-C4' energy: -62.814 flat angles C4'-P-C4' energy: -64.879 flat angles P-C4'-P energy: -48.168 tors. eta vs tors. theta energy: -79.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1031.511085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.511085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.511085 (E_RNA) where: Base-Base interactions energy: -713.049 where: short stacking energy: -306.486 Base-Backbone interact. energy: -1.025 local terms energy: -317.436768 where: bonds (distance) C4'-P energy: -58.309 bonds (distance) P-C4' energy: -69.728 flat angles C4'-P-C4' energy: -63.525 flat angles P-C4'-P energy: -44.804 tors. eta vs tors. theta energy: -81.071 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: 260 Temperature: 1.100000 Total energy: -990.581006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.581006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.581006 (E_RNA) where: Base-Base interactions energy: -681.685 where: short stacking energy: -288.890 Base-Backbone interact. energy: -1.533 local terms energy: -307.362440 where: bonds (distance) C4'-P energy: -51.891 bonds (distance) P-C4' energy: -62.629 flat angles C4'-P-C4' energy: -73.317 flat angles P-C4'-P energy: -39.257 tors. eta vs tors. theta energy: -80.269 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: 8 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -903.834860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.834860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.834860 (E_RNA) where: Base-Base interactions energy: -639.975 where: short stacking energy: -260.211 Base-Backbone interact. energy: -0.937 local terms energy: -262.922325 where: bonds (distance) C4'-P energy: -44.286 bonds (distance) P-C4' energy: -56.417 flat angles C4'-P-C4' energy: -56.246 flat angles P-C4'-P energy: -45.127 tors. eta vs tors. theta energy: -60.847 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: 7, replica: 9 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -879.605251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.605251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.605251 (E_RNA) where: Base-Base interactions energy: -624.830 where: short stacking energy: -271.439 Base-Backbone interact. energy: -0.205 local terms energy: -254.570367 where: bonds (distance) C4'-P energy: -53.370 bonds (distance) P-C4' energy: -55.323 flat angles C4'-P-C4' energy: -43.306 flat angles P-C4'-P energy: -45.190 tors. eta vs tors. theta energy: -57.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -717.139583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.139583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.139583 (E_RNA) where: Base-Base interactions energy: -451.259 where: short stacking energy: -212.437 Base-Backbone interact. energy: 2.255 local terms energy: -268.136241 where: bonds (distance) C4'-P energy: -47.929 bonds (distance) P-C4' energy: -58.179 flat angles C4'-P-C4' energy: -61.374 flat angles P-C4'-P energy: -41.176 tors. eta vs tors. theta energy: -59.478 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: 7 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -702.916683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.916683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.916683 (E_RNA) where: Base-Base interactions energy: -458.942 where: short stacking energy: -209.076 Base-Backbone interact. energy: -4.484 local terms energy: -239.490395 where: bonds (distance) C4'-P energy: -50.103 bonds (distance) P-C4' energy: -60.066 flat angles C4'-P-C4' energy: -58.312 flat angles P-C4'-P energy: -31.253 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: 10, replica: 2 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -380.166897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.166897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.166897 (E_RNA) where: Base-Base interactions energy: -219.758 where: short stacking energy: -139.956 Base-Backbone interact. energy: 0.494 local terms energy: -160.902525 where: bonds (distance) C4'-P energy: -46.924 bonds (distance) P-C4' energy: -35.351 flat angles C4'-P-C4' energy: -40.167 flat angles P-C4'-P energy: -24.638 tors. eta vs tors. theta energy: -13.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1204.612053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.612053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.612053 (E_RNA) where: Base-Base interactions energy: -848.492 where: short stacking energy: -370.571 Base-Backbone interact. energy: -1.029 local terms energy: -355.091007 where: bonds (distance) C4'-P energy: -63.414 bonds (distance) P-C4' energy: -68.072 flat angles C4'-P-C4' energy: -72.389 flat angles P-C4'-P energy: -56.069 tors. eta vs tors. theta energy: -95.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1171.344433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.344433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.344433 (E_RNA) where: Base-Base interactions energy: -801.035 where: short stacking energy: -354.599 Base-Backbone interact. energy: -1.288 local terms energy: -369.021186 where: bonds (distance) C4'-P energy: -62.264 bonds (distance) P-C4' energy: -63.044 flat angles C4'-P-C4' energy: -78.585 flat angles P-C4'-P energy: -60.027 tors. eta vs tors. theta energy: -105.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1055.897708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.897708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.897708 (E_RNA) where: Base-Base interactions energy: -756.014 where: short stacking energy: -312.186 Base-Backbone interact. energy: -2.461 local terms energy: -297.422553 where: bonds (distance) C4'-P energy: -40.826 bonds (distance) P-C4' energy: -69.670 flat angles C4'-P-C4' energy: -63.153 flat angles P-C4'-P energy: -46.599 tors. eta vs tors. theta energy: -77.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -991.668534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.668534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.668534 (E_RNA) where: Base-Base interactions energy: -684.983 where: short stacking energy: -275.182 Base-Backbone interact. energy: -1.390 local terms energy: -305.295687 where: bonds (distance) C4'-P energy: -56.774 bonds (distance) P-C4' energy: -65.957 flat angles C4'-P-C4' energy: -65.046 flat angles P-C4'-P energy: -39.851 tors. eta vs tors. theta energy: -77.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -996.624958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.624958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.624958 (E_RNA) where: Base-Base interactions energy: -702.545 where: short stacking energy: -289.925 Base-Backbone interact. energy: -1.018 local terms energy: -293.061524 where: bonds (distance) C4'-P energy: -53.863 bonds (distance) P-C4' energy: -60.359 flat angles C4'-P-C4' energy: -63.226 flat angles P-C4'-P energy: -43.896 tors. eta vs tors. theta energy: -71.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -932.390840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.390840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.390840 (E_RNA) where: Base-Base interactions energy: -656.800 where: short stacking energy: -283.590 Base-Backbone interact. energy: 0.803 local terms energy: -276.393519 where: bonds (distance) C4'-P energy: -53.070 bonds (distance) P-C4' energy: -59.199 flat angles C4'-P-C4' energy: -53.759 flat angles P-C4'-P energy: -41.415 tors. eta vs tors. theta energy: -68.950 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: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -923.286640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.286640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.286640 (E_RNA) where: Base-Base interactions energy: -658.090 where: short stacking energy: -268.332 Base-Backbone interact. energy: -0.518 local terms energy: -264.678522 where: bonds (distance) C4'-P energy: -47.889 bonds (distance) P-C4' energy: -56.813 flat angles C4'-P-C4' energy: -56.023 flat angles P-C4'-P energy: -45.843 tors. eta vs tors. theta energy: -58.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -754.590287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.590287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.590287 (E_RNA) where: Base-Base interactions energy: -495.016 where: short stacking energy: -229.425 Base-Backbone interact. energy: -1.914 local terms energy: -257.661056 where: bonds (distance) C4'-P energy: -41.126 bonds (distance) P-C4' energy: -53.395 flat angles C4'-P-C4' energy: -63.957 flat angles P-C4'-P energy: -39.425 tors. eta vs tors. theta energy: -59.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -696.906119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.906119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.906119 (E_RNA) where: Base-Base interactions energy: -454.902 where: short stacking energy: -209.517 Base-Backbone interact. energy: -2.492 local terms energy: -239.511864 where: bonds (distance) C4'-P energy: -48.402 bonds (distance) P-C4' energy: -53.040 flat angles C4'-P-C4' energy: -54.836 flat angles P-C4'-P energy: -38.034 tors. eta vs tors. theta energy: -45.200 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: 2 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -371.144300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.144300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.144300 (E_RNA) where: Base-Base interactions energy: -189.999 where: short stacking energy: -112.509 Base-Backbone interact. energy: 0.338 local terms energy: -181.482734 where: bonds (distance) C4'-P energy: -47.512 bonds (distance) P-C4' energy: -55.815 flat angles C4'-P-C4' energy: -50.715 flat angles P-C4'-P energy: -29.227 tors. eta vs tors. theta energy: 1.787 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: 10 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1190.495140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.495140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.495140 (E_RNA) where: Base-Base interactions energy: -839.507 where: short stacking energy: -353.948 Base-Backbone interact. energy: -1.003 local terms energy: -349.985234 where: bonds (distance) C4'-P energy: -58.703 bonds (distance) P-C4' energy: -71.761 flat angles C4'-P-C4' energy: -70.775 flat angles P-C4'-P energy: -48.407 tors. eta vs tors. theta energy: -100.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1161.985281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.985281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.985281 (E_RNA) where: Base-Base interactions energy: -811.033 where: short stacking energy: -357.820 Base-Backbone interact. energy: -0.906 local terms energy: -350.046853 where: bonds (distance) C4'-P energy: -55.398 bonds (distance) P-C4' energy: -63.884 flat angles C4'-P-C4' energy: -75.692 flat angles P-C4'-P energy: -46.389 tors. eta vs tors. theta energy: -108.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1071.956538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.956538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.956538 (E_RNA) where: Base-Base interactions energy: -755.940 where: short stacking energy: -310.030 Base-Backbone interact. energy: -1.039 local terms energy: -314.978374 where: bonds (distance) C4'-P energy: -60.342 bonds (distance) P-C4' energy: -66.356 flat angles C4'-P-C4' energy: -65.113 flat angles P-C4'-P energy: -46.348 tors. eta vs tors. theta energy: -76.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -982.664518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.664518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.664518 (E_RNA) where: Base-Base interactions energy: -665.178 where: short stacking energy: -292.971 Base-Backbone interact. energy: -1.528 local terms energy: -315.959046 where: bonds (distance) C4'-P energy: -62.603 bonds (distance) P-C4' energy: -60.140 flat angles C4'-P-C4' energy: -69.503 flat angles P-C4'-P energy: -47.168 tors. eta vs tors. theta energy: -76.545 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: 5 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1019.429992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.429992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.429992 (E_RNA) where: Base-Base interactions energy: -723.736 where: short stacking energy: -295.055 Base-Backbone interact. energy: -0.442 local terms energy: -295.252201 where: bonds (distance) C4'-P energy: -48.845 bonds (distance) P-C4' energy: -48.276 flat angles C4'-P-C4' energy: -72.204 flat angles P-C4'-P energy: -45.998 tors. eta vs tors. theta energy: -79.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -915.278862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.278862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.278862 (E_RNA) where: Base-Base interactions energy: -638.303 where: short stacking energy: -277.386 Base-Backbone interact. energy: -1.364 local terms energy: -275.611697 where: bonds (distance) C4'-P energy: -57.723 bonds (distance) P-C4' energy: -63.317 flat angles C4'-P-C4' energy: -62.645 flat angles P-C4'-P energy: -35.365 tors. eta vs tors. theta energy: -56.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -863.553645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.553645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.553645 (E_RNA) where: Base-Base interactions energy: -603.291 where: short stacking energy: -239.141 Base-Backbone interact. energy: -3.780 local terms energy: -256.481800 where: bonds (distance) C4'-P energy: -53.586 bonds (distance) P-C4' energy: -50.443 flat angles C4'-P-C4' energy: -66.925 flat angles P-C4'-P energy: -31.280 tors. eta vs tors. theta energy: -54.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -734.686713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.686713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.686713 (E_RNA) where: Base-Base interactions energy: -490.870 where: short stacking energy: -227.134 Base-Backbone interact. energy: 1.716 local terms energy: -245.532264 where: bonds (distance) C4'-P energy: -51.372 bonds (distance) P-C4' energy: -56.388 flat angles C4'-P-C4' energy: -49.892 flat angles P-C4'-P energy: -40.559 tors. eta vs tors. theta energy: -47.321 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: 262 Temperature: 1.300000 Total energy: -716.239916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.239916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.239916 (E_RNA) where: Base-Base interactions energy: -483.536 where: short stacking energy: -218.689 Base-Backbone interact. energy: -0.295 local terms energy: -232.408176 where: bonds (distance) C4'-P energy: -39.284 bonds (distance) P-C4' energy: -55.930 flat angles C4'-P-C4' energy: -54.243 flat angles P-C4'-P energy: -36.795 tors. eta vs tors. theta energy: -46.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -391.498229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.498229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.498229 (E_RNA) where: Base-Base interactions energy: -213.064 where: short stacking energy: -122.210 Base-Backbone interact. energy: 0.587 local terms energy: -179.021350 where: bonds (distance) C4'-P energy: -48.440 bonds (distance) P-C4' energy: -59.261 flat angles C4'-P-C4' energy: -46.588 flat angles P-C4'-P energy: -26.400 tors. eta vs tors. theta energy: 1.669 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: 10 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1198.444913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.444913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.444913 (E_RNA) where: Base-Base interactions energy: -842.950 where: short stacking energy: -364.535 Base-Backbone interact. energy: -2.246 local terms energy: -353.249549 where: bonds (distance) C4'-P energy: -62.190 bonds (distance) P-C4' energy: -57.717 flat angles C4'-P-C4' energy: -73.123 flat angles P-C4'-P energy: -55.312 tors. eta vs tors. theta energy: -104.908 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: 4 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1146.280764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.280764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.280764 (E_RNA) where: Base-Base interactions energy: -805.253 where: short stacking energy: -346.358 Base-Backbone interact. energy: -1.713 local terms energy: -339.315003 where: bonds (distance) C4'-P energy: -65.026 bonds (distance) P-C4' energy: -58.592 flat angles C4'-P-C4' energy: -67.619 flat angles P-C4'-P energy: -48.463 tors. eta vs tors. theta energy: -99.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1100.117293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.117293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.117293 (E_RNA) where: Base-Base interactions energy: -772.694 where: short stacking energy: -315.329 Base-Backbone interact. energy: -3.127 local terms energy: -324.296298 where: bonds (distance) C4'-P energy: -71.746 bonds (distance) P-C4' energy: -57.341 flat angles C4'-P-C4' energy: -76.672 flat angles P-C4'-P energy: -35.243 tors. eta vs tors. theta energy: -83.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1035.536923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.536923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.536923 (E_RNA) where: Base-Base interactions energy: -710.334 where: short stacking energy: -328.194 Base-Backbone interact. energy: 0.011 local terms energy: -325.213392 where: bonds (distance) C4'-P energy: -58.783 bonds (distance) P-C4' energy: -63.217 flat angles C4'-P-C4' energy: -69.560 flat angles P-C4'-P energy: -45.965 tors. eta vs tors. theta energy: -87.689 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: 5, replica: 6 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -998.062582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.062582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.062582 (E_RNA) where: Base-Base interactions energy: -683.074 where: short stacking energy: -293.215 Base-Backbone interact. energy: -2.872 local terms energy: -312.117018 where: bonds (distance) C4'-P energy: -65.479 bonds (distance) P-C4' energy: -67.771 flat angles C4'-P-C4' energy: -59.493 flat angles P-C4'-P energy: -41.566 tors. eta vs tors. theta energy: -77.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -899.874434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.874434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.874434 (E_RNA) where: Base-Base interactions energy: -626.253 where: short stacking energy: -256.898 Base-Backbone interact. energy: -0.050 local terms energy: -273.570586 where: bonds (distance) C4'-P energy: -61.921 bonds (distance) P-C4' energy: -56.650 flat angles C4'-P-C4' energy: -58.376 flat angles P-C4'-P energy: -40.434 tors. eta vs tors. theta energy: -56.189 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: 7, replica: 9 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -931.386025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.386025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.386025 (E_RNA) where: Base-Base interactions energy: -655.994 where: short stacking energy: -280.744 Base-Backbone interact. energy: 1.302 local terms energy: -276.694347 where: bonds (distance) C4'-P energy: -55.788 bonds (distance) P-C4' energy: -65.567 flat angles C4'-P-C4' energy: -54.539 flat angles P-C4'-P energy: -29.200 tors. eta vs tors. theta energy: -71.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -734.711833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.711833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.711833 (E_RNA) where: Base-Base interactions energy: -468.567 where: short stacking energy: -202.814 Base-Backbone interact. energy: -0.786 local terms energy: -265.359223 where: bonds (distance) C4'-P energy: -59.979 bonds (distance) P-C4' energy: -56.763 flat angles C4'-P-C4' energy: -60.714 flat angles P-C4'-P energy: -41.311 tors. eta vs tors. theta energy: -46.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -672.605280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.605280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.605280 (E_RNA) where: Base-Base interactions energy: -423.499 where: short stacking energy: -202.035 Base-Backbone interact. energy: -0.963 local terms energy: -248.143330 where: bonds (distance) C4'-P energy: -52.182 bonds (distance) P-C4' energy: -57.492 flat angles C4'-P-C4' energy: -51.710 flat angles P-C4'-P energy: -34.550 tors. eta vs tors. theta energy: -52.210 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: 10, replica: 2 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -390.303919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.303919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.303919 (E_RNA) where: Base-Base interactions energy: -204.718 where: short stacking energy: -144.225 Base-Backbone interact. energy: -0.786 local terms energy: -184.800488 where: bonds (distance) C4'-P energy: -51.102 bonds (distance) P-C4' energy: -52.372 flat angles C4'-P-C4' energy: -45.546 flat angles P-C4'-P energy: -24.222 tors. eta vs tors. theta energy: -11.558 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: 4 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1181.904140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.904140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.904140 (E_RNA) where: Base-Base interactions energy: -809.674 where: short stacking energy: -370.901 Base-Backbone interact. energy: -1.656 local terms energy: -370.574727 where: bonds (distance) C4'-P energy: -69.386 bonds (distance) P-C4' energy: -70.966 flat angles C4'-P-C4' energy: -73.806 flat angles P-C4'-P energy: -52.587 tors. eta vs tors. theta energy: -103.830 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: 10 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1175.404410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.404410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.404410 (E_RNA) where: Base-Base interactions energy: -827.231 where: short stacking energy: -366.603 Base-Backbone interact. energy: -1.265 local terms energy: -346.908222 where: bonds (distance) C4'-P energy: -62.729 bonds (distance) P-C4' energy: -60.980 flat angles C4'-P-C4' energy: -73.864 flat angles P-C4'-P energy: -50.349 tors. eta vs tors. theta energy: -98.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1085.382305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.382305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.382305 (E_RNA) where: Base-Base interactions energy: -775.327 where: short stacking energy: -319.417 Base-Backbone interact. energy: -1.820 local terms energy: -308.235540 where: bonds (distance) C4'-P energy: -60.472 bonds (distance) P-C4' energy: -55.120 flat angles C4'-P-C4' energy: -74.110 flat angles P-C4'-P energy: -40.918 tors. eta vs tors. theta energy: -77.616 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: 264 Temperature: 1.050000 Total energy: -994.651874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.651874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.651874 (E_RNA) where: Base-Base interactions energy: -689.404 where: short stacking energy: -273.816 Base-Backbone interact. energy: -2.311 local terms energy: -302.936588 where: bonds (distance) C4'-P energy: -60.024 bonds (distance) P-C4' energy: -60.160 flat angles C4'-P-C4' energy: -67.852 flat angles P-C4'-P energy: -44.554 tors. eta vs tors. theta energy: -70.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -980.291363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.291363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.291363 (E_RNA) where: Base-Base interactions energy: -671.091 where: short stacking energy: -274.508 Base-Backbone interact. energy: -1.428 local terms energy: -307.772388 where: bonds (distance) C4'-P energy: -47.043 bonds (distance) P-C4' energy: -63.412 flat angles C4'-P-C4' energy: -73.386 flat angles P-C4'-P energy: -49.262 tors. eta vs tors. theta energy: -74.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -907.667995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.667995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.667995 (E_RNA) where: Base-Base interactions energy: -633.777 where: short stacking energy: -271.458 Base-Backbone interact. energy: 0.706 local terms energy: -274.597481 where: bonds (distance) C4'-P energy: -54.975 bonds (distance) P-C4' energy: -62.848 flat angles C4'-P-C4' energy: -61.048 flat angles P-C4'-P energy: -41.471 tors. eta vs tors. theta energy: -54.255 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: 9 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -951.622629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.622629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.622629 (E_RNA) where: Base-Base interactions energy: -664.207 where: short stacking energy: -268.302 Base-Backbone interact. energy: -1.610 local terms energy: -285.805049 where: bonds (distance) C4'-P energy: -50.146 bonds (distance) P-C4' energy: -67.793 flat angles C4'-P-C4' energy: -64.190 flat angles P-C4'-P energy: -31.784 tors. eta vs tors. theta energy: -71.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -724.340051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.340051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.340051 (E_RNA) where: Base-Base interactions energy: -480.674 where: short stacking energy: -219.952 Base-Backbone interact. energy: -1.431 local terms energy: -242.235151 where: bonds (distance) C4'-P energy: -52.134 bonds (distance) P-C4' energy: -44.946 flat angles C4'-P-C4' energy: -62.512 flat angles P-C4'-P energy: -21.374 tors. eta vs tors. theta energy: -61.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -709.205176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.205176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.205176 (E_RNA) where: Base-Base interactions energy: -457.369 where: short stacking energy: -216.632 Base-Backbone interact. energy: -0.554 local terms energy: -251.282209 where: bonds (distance) C4'-P energy: -52.193 bonds (distance) P-C4' energy: -53.303 flat angles C4'-P-C4' energy: -66.398 flat angles P-C4'-P energy: -35.556 tors. eta vs tors. theta energy: -43.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -402.187489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.187489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.187489 (E_RNA) where: Base-Base interactions energy: -225.530 where: short stacking energy: -144.013 Base-Backbone interact. energy: -1.343 local terms energy: -175.314123 where: bonds (distance) C4'-P energy: -40.729 bonds (distance) P-C4' energy: -48.628 flat angles C4'-P-C4' energy: -38.741 flat angles P-C4'-P energy: -37.994 tors. eta vs tors. theta energy: -9.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1186.659633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.659633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.659633 (E_RNA) where: Base-Base interactions energy: -819.306 where: short stacking energy: -358.172 Base-Backbone interact. energy: -1.030 local terms energy: -366.323052 where: bonds (distance) C4'-P energy: -69.983 bonds (distance) P-C4' energy: -68.876 flat angles C4'-P-C4' energy: -73.555 flat angles P-C4'-P energy: -52.853 tors. eta vs tors. theta energy: -101.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1163.184311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.184311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.184311 (E_RNA) where: Base-Base interactions energy: -819.451 where: short stacking energy: -352.151 Base-Backbone interact. energy: -1.773 local terms energy: -341.959726 where: bonds (distance) C4'-P energy: -59.136 bonds (distance) P-C4' energy: -62.407 flat angles C4'-P-C4' energy: -74.770 flat angles P-C4'-P energy: -50.553 tors. eta vs tors. theta energy: -95.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1067.622062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.622062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.622062 (E_RNA) where: Base-Base interactions energy: -752.720 where: short stacking energy: -308.534 Base-Backbone interact. energy: -2.541 local terms energy: -312.360807 where: bonds (distance) C4'-P energy: -63.836 bonds (distance) P-C4' energy: -65.202 flat angles C4'-P-C4' energy: -68.524 flat angles P-C4'-P energy: -33.755 tors. eta vs tors. theta energy: -81.044 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: 5 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1012.110557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.110557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.110557 (E_RNA) where: Base-Base interactions energy: -695.240 where: short stacking energy: -299.851 Base-Backbone interact. energy: 0.217 local terms energy: -317.087927 where: bonds (distance) C4'-P energy: -53.123 bonds (distance) P-C4' energy: -69.851 flat angles C4'-P-C4' energy: -73.492 flat angles P-C4'-P energy: -38.972 tors. eta vs tors. theta energy: -81.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -958.881094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.881094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.881094 (E_RNA) where: Base-Base interactions energy: -664.975 where: short stacking energy: -275.872 Base-Backbone interact. energy: -0.790 local terms energy: -293.116249 where: bonds (distance) C4'-P energy: -61.483 bonds (distance) P-C4' energy: -54.518 flat angles C4'-P-C4' energy: -67.550 flat angles P-C4'-P energy: -43.027 tors. eta vs tors. theta energy: -66.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -890.248558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.248558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.248558 (E_RNA) where: Base-Base interactions energy: -632.191 where: short stacking energy: -278.580 Base-Backbone interact. energy: 0.360 local terms energy: -258.417070 where: bonds (distance) C4'-P energy: -42.249 bonds (distance) P-C4' energy: -59.368 flat angles C4'-P-C4' energy: -55.912 flat angles P-C4'-P energy: -38.654 tors. eta vs tors. theta energy: -62.233 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: 9 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -907.282787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.282787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.282787 (E_RNA) where: Base-Base interactions energy: -632.937 where: short stacking energy: -252.513 Base-Backbone interact. energy: 0.525 local terms energy: -274.870077 where: bonds (distance) C4'-P energy: -63.212 bonds (distance) P-C4' energy: -45.946 flat angles C4'-P-C4' energy: -59.503 flat angles P-C4'-P energy: -38.413 tors. eta vs tors. theta energy: -67.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -722.903704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.903704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.903704 (E_RNA) where: Base-Base interactions energy: -484.845 where: short stacking energy: -219.992 Base-Backbone interact. energy: -2.056 local terms energy: -236.002641 where: bonds (distance) C4'-P energy: -57.062 bonds (distance) P-C4' energy: -55.283 flat angles C4'-P-C4' energy: -49.321 flat angles P-C4'-P energy: -32.433 tors. eta vs tors. theta energy: -41.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -709.256739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.256739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.256739 (E_RNA) where: Base-Base interactions energy: -458.816 where: short stacking energy: -213.977 Base-Backbone interact. energy: -1.448 local terms energy: -248.992778 where: bonds (distance) C4'-P energy: -43.567 bonds (distance) P-C4' energy: -53.524 flat angles C4'-P-C4' energy: -60.166 flat angles P-C4'-P energy: -41.076 tors. eta vs tors. theta energy: -50.660 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: 10, replica: 2 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -381.685476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.685476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.685476 (E_RNA) where: Base-Base interactions energy: -205.247 where: short stacking energy: -109.138 Base-Backbone interact. energy: 1.849 local terms energy: -178.287819 where: bonds (distance) C4'-P energy: -56.943 bonds (distance) P-C4' energy: -55.720 flat angles C4'-P-C4' energy: -43.204 flat angles P-C4'-P energy: -18.129 tors. eta vs tors. theta energy: -4.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1166.562937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.562937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.562937 (E_RNA) where: Base-Base interactions energy: -816.076 where: short stacking energy: -353.676 Base-Backbone interact. energy: -0.114 local terms energy: -350.373463 where: bonds (distance) C4'-P energy: -62.308 bonds (distance) P-C4' energy: -62.409 flat angles C4'-P-C4' energy: -77.911 flat angles P-C4'-P energy: -44.726 tors. eta vs tors. theta energy: -103.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1179.591553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.591553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.591553 (E_RNA) where: Base-Base interactions energy: -831.223 where: short stacking energy: -334.439 Base-Backbone interact. energy: -2.068 local terms energy: -346.300357 where: bonds (distance) C4'-P energy: -61.711 bonds (distance) P-C4' energy: -57.378 flat angles C4'-P-C4' energy: -79.482 flat angles P-C4'-P energy: -54.397 tors. eta vs tors. theta energy: -93.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1056.806734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.806734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.806734 (E_RNA) where: Base-Base interactions energy: -741.014 where: short stacking energy: -301.833 Base-Backbone interact. energy: -2.507 local terms energy: -313.285746 where: bonds (distance) C4'-P energy: -62.600 bonds (distance) P-C4' energy: -60.763 flat angles C4'-P-C4' energy: -63.907 flat angles P-C4'-P energy: -53.718 tors. eta vs tors. theta energy: -72.298 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: 5 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1026.647610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.647610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.647610 (E_RNA) where: Base-Base interactions energy: -696.177 where: short stacking energy: -300.584 Base-Backbone interact. energy: 1.634 local terms energy: -332.104365 where: bonds (distance) C4'-P energy: -69.068 bonds (distance) P-C4' energy: -62.204 flat angles C4'-P-C4' energy: -74.192 flat angles P-C4'-P energy: -53.157 tors. eta vs tors. theta energy: -73.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -972.205969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.205969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.205969 (E_RNA) where: Base-Base interactions energy: -691.898 where: short stacking energy: -289.315 Base-Backbone interact. energy: -1.292 local terms energy: -279.015822 where: bonds (distance) C4'-P energy: -49.231 bonds (distance) P-C4' energy: -57.671 flat angles C4'-P-C4' energy: -63.882 flat angles P-C4'-P energy: -32.984 tors. eta vs tors. theta energy: -75.248 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: 8 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -939.066629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.066629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.066629 (E_RNA) where: Base-Base interactions energy: -652.194 where: short stacking energy: -277.040 Base-Backbone interact. energy: -0.925 local terms energy: -285.946998 where: bonds (distance) C4'-P energy: -60.778 bonds (distance) P-C4' energy: -58.153 flat angles C4'-P-C4' energy: -66.970 flat angles P-C4'-P energy: -30.950 tors. eta vs tors. theta energy: -69.095 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: 9 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -933.531624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.531624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.531624 (E_RNA) where: Base-Base interactions energy: -660.472 where: short stacking energy: -276.841 Base-Backbone interact. energy: -0.209 local terms energy: -272.850345 where: bonds (distance) C4'-P energy: -56.136 bonds (distance) P-C4' energy: -49.186 flat angles C4'-P-C4' energy: -55.715 flat angles P-C4'-P energy: -46.511 tors. eta vs tors. theta energy: -65.303 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: 3 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -676.871304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.871304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.871304 (E_RNA) where: Base-Base interactions energy: -439.193 where: short stacking energy: -186.499 Base-Backbone interact. energy: 0.981 local terms energy: -238.658887 where: bonds (distance) C4'-P energy: -57.516 bonds (distance) P-C4' energy: -55.489 flat angles C4'-P-C4' energy: -54.084 flat angles P-C4'-P energy: -36.481 tors. eta vs tors. theta energy: -35.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -690.280981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.280981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.280981 (E_RNA) where: Base-Base interactions energy: -462.551 where: short stacking energy: -221.652 Base-Backbone interact. energy: -0.632 local terms energy: -227.098553 where: bonds (distance) C4'-P energy: -49.775 bonds (distance) P-C4' energy: -58.239 flat angles C4'-P-C4' energy: -51.389 flat angles P-C4'-P energy: -16.043 tors. eta vs tors. theta energy: -51.653 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: 10, replica: 2 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -400.356944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.356944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.356944 (E_RNA) where: Base-Base interactions energy: -180.762 where: short stacking energy: -101.021 Base-Backbone interact. energy: -0.613 local terms energy: -218.982020 where: bonds (distance) C4'-P energy: -63.499 bonds (distance) P-C4' energy: -59.199 flat angles C4'-P-C4' energy: -58.991 flat angles P-C4'-P energy: -29.325 tors. eta vs tors. theta energy: -7.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1185.650210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.650210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.650210 (E_RNA) where: Base-Base interactions energy: -823.139 where: short stacking energy: -360.961 Base-Backbone interact. energy: -0.186 local terms energy: -362.326099 where: bonds (distance) C4'-P energy: -70.451 bonds (distance) P-C4' energy: -65.591 flat angles C4'-P-C4' energy: -76.147 flat angles P-C4'-P energy: -46.822 tors. eta vs tors. theta energy: -103.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1195.395069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.395069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.395069 (E_RNA) where: Base-Base interactions energy: -838.378 where: short stacking energy: -352.323 Base-Backbone interact. energy: -2.578 local terms energy: -354.439293 where: bonds (distance) C4'-P energy: -58.849 bonds (distance) P-C4' energy: -69.512 flat angles C4'-P-C4' energy: -77.312 flat angles P-C4'-P energy: -55.173 tors. eta vs tors. theta energy: -93.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1068.777816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.777816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.777816 (E_RNA) where: Base-Base interactions energy: -769.810 where: short stacking energy: -320.915 Base-Backbone interact. energy: -1.678 local terms energy: -297.289957 where: bonds (distance) C4'-P energy: -59.877 bonds (distance) P-C4' energy: -58.087 flat angles C4'-P-C4' energy: -75.041 flat angles P-C4'-P energy: -33.428 tors. eta vs tors. theta energy: -70.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1054.621508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.621508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.621508 (E_RNA) where: Base-Base interactions energy: -745.314 where: short stacking energy: -320.002 Base-Backbone interact. energy: -1.201 local terms energy: -308.106437 where: bonds (distance) C4'-P energy: -52.136 bonds (distance) P-C4' energy: -53.669 flat angles C4'-P-C4' energy: -76.283 flat angles P-C4'-P energy: -41.385 tors. eta vs tors. theta energy: -84.633 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: 6 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -981.148245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.148245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.148245 (E_RNA) where: Base-Base interactions energy: -698.007 where: short stacking energy: -284.393 Base-Backbone interact. energy: -0.460 local terms energy: -282.681141 where: bonds (distance) C4'-P energy: -53.738 bonds (distance) P-C4' energy: -50.073 flat angles C4'-P-C4' energy: -56.439 flat angles P-C4'-P energy: -47.502 tors. eta vs tors. theta energy: -74.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -964.299840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.299840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.299840 (E_RNA) where: Base-Base interactions energy: -682.723 where: short stacking energy: -293.864 Base-Backbone interact. energy: -0.174 local terms energy: -281.403068 where: bonds (distance) C4'-P energy: -55.927 bonds (distance) P-C4' energy: -52.288 flat angles C4'-P-C4' energy: -59.353 flat angles P-C4'-P energy: -45.582 tors. eta vs tors. theta energy: -68.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -894.728848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.728848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.728848 (E_RNA) where: Base-Base interactions energy: -648.952 where: short stacking energy: -270.563 Base-Backbone interact. energy: 0.234 local terms energy: -246.010686 where: bonds (distance) C4'-P energy: -43.703 bonds (distance) P-C4' energy: -50.424 flat angles C4'-P-C4' energy: -56.755 flat angles P-C4'-P energy: -36.828 tors. eta vs tors. theta energy: -58.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -688.114917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.114917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.114917 (E_RNA) where: Base-Base interactions energy: -453.719 where: short stacking energy: -210.251 Base-Backbone interact. energy: -0.891 local terms energy: -233.504889 where: bonds (distance) C4'-P energy: -50.279 bonds (distance) P-C4' energy: -56.578 flat angles C4'-P-C4' energy: -55.217 flat angles P-C4'-P energy: -22.334 tors. eta vs tors. theta energy: -49.097 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: 267 Temperature: 1.300000 Total energy: -675.724605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.724605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.724605 (E_RNA) where: Base-Base interactions energy: -455.135 where: short stacking energy: -193.260 Base-Backbone interact. energy: 4.590 local terms energy: -225.179268 where: bonds (distance) C4'-P energy: -40.725 bonds (distance) P-C4' energy: -54.549 flat angles C4'-P-C4' energy: -59.816 flat angles P-C4'-P energy: -31.492 tors. eta vs tors. theta energy: -38.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -393.712791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.712791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.712791 (E_RNA) where: Base-Base interactions energy: -229.058 where: short stacking energy: -117.135 Base-Backbone interact. energy: -2.801 local terms energy: -161.854310 where: bonds (distance) C4'-P energy: -50.870 bonds (distance) P-C4' energy: -44.859 flat angles C4'-P-C4' energy: -45.814 flat angles P-C4'-P energy: -21.671 tors. eta vs tors. theta energy: 1.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1195.239611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.239611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.239611 (E_RNA) where: Base-Base interactions energy: -863.143 where: short stacking energy: -356.018 Base-Backbone interact. energy: -3.337 local terms energy: -328.759693 where: bonds (distance) C4'-P energy: -60.735 bonds (distance) P-C4' energy: -61.721 flat angles C4'-P-C4' energy: -66.309 flat angles P-C4'-P energy: -49.274 tors. eta vs tors. theta energy: -90.721 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: 4 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1174.224529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.224529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.224529 (E_RNA) where: Base-Base interactions energy: -819.172 where: short stacking energy: -335.118 Base-Backbone interact. energy: -0.921 local terms energy: -354.132325 where: bonds (distance) C4'-P energy: -68.877 bonds (distance) P-C4' energy: -69.242 flat angles C4'-P-C4' energy: -68.172 flat angles P-C4'-P energy: -50.133 tors. eta vs tors. theta energy: -97.708 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: 1 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1085.188756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.188756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.188756 (E_RNA) where: Base-Base interactions energy: -769.854 where: short stacking energy: -311.187 Base-Backbone interact. energy: -0.183 local terms energy: -315.151285 where: bonds (distance) C4'-P energy: -63.266 bonds (distance) P-C4' energy: -58.562 flat angles C4'-P-C4' energy: -64.790 flat angles P-C4'-P energy: -44.587 tors. eta vs tors. theta energy: -83.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1030.284334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.284334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.284334 (E_RNA) where: Base-Base interactions energy: -730.828 where: short stacking energy: -309.972 Base-Backbone interact. energy: -0.982 local terms energy: -298.475109 where: bonds (distance) C4'-P energy: -61.679 bonds (distance) P-C4' energy: -51.447 flat angles C4'-P-C4' energy: -61.552 flat angles P-C4'-P energy: -41.804 tors. eta vs tors. theta energy: -81.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -982.097594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.097594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.097594 (E_RNA) where: Base-Base interactions energy: -686.651 where: short stacking energy: -274.217 Base-Backbone interact. energy: -1.997 local terms energy: -293.449420 where: bonds (distance) C4'-P energy: -53.724 bonds (distance) P-C4' energy: -64.138 flat angles C4'-P-C4' energy: -69.757 flat angles P-C4'-P energy: -35.853 tors. eta vs tors. theta energy: -69.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -960.497367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.497367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.497367 (E_RNA) where: Base-Base interactions energy: -681.129 where: short stacking energy: -284.495 Base-Backbone interact. energy: 3.716 local terms energy: -283.084481 where: bonds (distance) C4'-P energy: -58.720 bonds (distance) P-C4' energy: -62.210 flat angles C4'-P-C4' energy: -63.895 flat angles P-C4'-P energy: -31.872 tors. eta vs tors. theta energy: -66.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -913.676539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.676539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.676539 (E_RNA) where: Base-Base interactions energy: -647.605 where: short stacking energy: -266.833 Base-Backbone interact. energy: 1.525 local terms energy: -267.596225 where: bonds (distance) C4'-P energy: -58.498 bonds (distance) P-C4' energy: -56.581 flat angles C4'-P-C4' energy: -65.922 flat angles P-C4'-P energy: -20.916 tors. eta vs tors. theta energy: -65.679 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: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -727.736149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.736149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.736149 (E_RNA) where: Base-Base interactions energy: -458.849 where: short stacking energy: -195.457 Base-Backbone interact. energy: -1.178 local terms energy: -267.709877 where: bonds (distance) C4'-P energy: -54.817 bonds (distance) P-C4' energy: -62.581 flat angles C4'-P-C4' energy: -63.078 flat angles P-C4'-P energy: -40.687 tors. eta vs tors. theta energy: -46.546 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: 3 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -705.202279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.202279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.202279 (E_RNA) where: Base-Base interactions energy: -466.217 where: short stacking energy: -194.282 Base-Backbone interact. energy: -3.748 local terms energy: -235.237574 where: bonds (distance) C4'-P energy: -48.662 bonds (distance) P-C4' energy: -63.249 flat angles C4'-P-C4' energy: -53.707 flat angles P-C4'-P energy: -27.759 tors. eta vs tors. theta energy: -41.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -343.376382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.376382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.376382 (E_RNA) where: Base-Base interactions energy: -147.791 where: short stacking energy: -85.522 Base-Backbone interact. energy: -1.309 local terms energy: -194.276628 where: bonds (distance) C4'-P energy: -57.743 bonds (distance) P-C4' energy: -50.377 flat angles C4'-P-C4' energy: -55.494 flat angles P-C4'-P energy: -31.069 tors. eta vs tors. theta energy: 0.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1184.461909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.461909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.461909 (E_RNA) where: Base-Base interactions energy: -835.453 where: short stacking energy: -332.481 Base-Backbone interact. energy: -1.441 local terms energy: -347.568440 where: bonds (distance) C4'-P energy: -65.357 bonds (distance) P-C4' energy: -65.947 flat angles C4'-P-C4' energy: -73.057 flat angles P-C4'-P energy: -51.866 tors. eta vs tors. theta energy: -91.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1170.617095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.617095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.617095 (E_RNA) where: Base-Base interactions energy: -810.659 where: short stacking energy: -347.134 Base-Backbone interact. energy: -2.109 local terms energy: -357.849328 where: bonds (distance) C4'-P energy: -71.811 bonds (distance) P-C4' energy: -66.402 flat angles C4'-P-C4' energy: -75.365 flat angles P-C4'-P energy: -45.870 tors. eta vs tors. theta energy: -98.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1112.240620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.240620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.240620 (E_RNA) where: Base-Base interactions energy: -789.560 where: short stacking energy: -318.824 Base-Backbone interact. energy: -0.936 local terms energy: -321.744574 where: bonds (distance) C4'-P energy: -53.503 bonds (distance) P-C4' energy: -59.339 flat angles C4'-P-C4' energy: -69.224 flat angles P-C4'-P energy: -50.671 tors. eta vs tors. theta energy: -89.006 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: 5 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1032.405403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.405403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.405403 (E_RNA) where: Base-Base interactions energy: -707.572 where: short stacking energy: -320.832 Base-Backbone interact. energy: -0.805 local terms energy: -324.028331 where: bonds (distance) C4'-P energy: -51.688 bonds (distance) P-C4' energy: -63.380 flat angles C4'-P-C4' energy: -72.451 flat angles P-C4'-P energy: -52.345 tors. eta vs tors. theta energy: -84.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -995.300990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.300990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.300990 (E_RNA) where: Base-Base interactions energy: -698.207 where: short stacking energy: -279.777 Base-Backbone interact. energy: -0.285 local terms energy: -296.809815 where: bonds (distance) C4'-P energy: -54.590 bonds (distance) P-C4' energy: -63.797 flat angles C4'-P-C4' energy: -62.121 flat angles P-C4'-P energy: -41.332 tors. eta vs tors. theta energy: -74.970 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: 9 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -894.999379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.999379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.999379 (E_RNA) where: Base-Base interactions energy: -601.466 where: short stacking energy: -252.984 Base-Backbone interact. energy: 1.250 local terms energy: -294.783243 where: bonds (distance) C4'-P energy: -56.588 bonds (distance) P-C4' energy: -70.857 flat angles C4'-P-C4' energy: -65.283 flat angles P-C4'-P energy: -31.587 tors. eta vs tors. theta energy: -70.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -892.155773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.155773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.155773 (E_RNA) where: Base-Base interactions energy: -629.623 where: short stacking energy: -273.032 Base-Backbone interact. energy: 0.046 local terms energy: -262.578440 where: bonds (distance) C4'-P energy: -49.791 bonds (distance) P-C4' energy: -42.273 flat angles C4'-P-C4' energy: -61.965 flat angles P-C4'-P energy: -28.723 tors. eta vs tors. theta energy: -79.827 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: 8, replica: 3 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -768.893485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.893485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.893485 (E_RNA) where: Base-Base interactions energy: -535.432 where: short stacking energy: -238.004 Base-Backbone interact. energy: 0.099 local terms energy: -233.559978 where: bonds (distance) C4'-P energy: -38.279 bonds (distance) P-C4' energy: -58.621 flat angles C4'-P-C4' energy: -45.050 flat angles P-C4'-P energy: -39.279 tors. eta vs tors. theta energy: -52.331 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: 9, replica: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -735.853388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.853388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.853388 (E_RNA) where: Base-Base interactions energy: -489.239 where: short stacking energy: -227.025 Base-Backbone interact. energy: -1.919 local terms energy: -244.695431 where: bonds (distance) C4'-P energy: -39.665 bonds (distance) P-C4' energy: -44.675 flat angles C4'-P-C4' energy: -62.824 flat angles P-C4'-P energy: -39.937 tors. eta vs tors. theta energy: -57.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -345.673397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.673397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.673397 (E_RNA) where: Base-Base interactions energy: -185.410 where: short stacking energy: -109.293 Base-Backbone interact. energy: 0.967 local terms energy: -161.230281 where: bonds (distance) C4'-P energy: -40.402 bonds (distance) P-C4' energy: -49.227 flat angles C4'-P-C4' energy: -32.539 flat angles P-C4'-P energy: -31.436 tors. eta vs tors. theta energy: -7.626 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: 10 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1188.342977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.342977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.342977 (E_RNA) where: Base-Base interactions energy: -841.756 where: short stacking energy: -345.401 Base-Backbone interact. energy: -2.388 local terms energy: -344.199027 where: bonds (distance) C4'-P energy: -68.686 bonds (distance) P-C4' energy: -67.368 flat angles C4'-P-C4' energy: -69.725 flat angles P-C4'-P energy: -50.567 tors. eta vs tors. theta energy: -87.854 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: 2, replica: 4 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1156.060963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.060963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.060963 (E_RNA) where: Base-Base interactions energy: -808.647 where: short stacking energy: -352.291 Base-Backbone interact. energy: -1.328 local terms energy: -346.085953 where: bonds (distance) C4'-P energy: -65.857 bonds (distance) P-C4' energy: -59.802 flat angles C4'-P-C4' energy: -67.316 flat angles P-C4'-P energy: -51.633 tors. eta vs tors. theta energy: -101.478 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: 1 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1101.367555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.367555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.367555 (E_RNA) where: Base-Base interactions energy: -785.215 where: short stacking energy: -308.673 Base-Backbone interact. energy: -1.971 local terms energy: -314.182084 where: bonds (distance) C4'-P energy: -61.239 bonds (distance) P-C4' energy: -63.406 flat angles C4'-P-C4' energy: -67.727 flat angles P-C4'-P energy: -33.879 tors. eta vs tors. theta energy: -87.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1025.628848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.628848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.628848 (E_RNA) where: Base-Base interactions energy: -720.790 where: short stacking energy: -318.120 Base-Backbone interact. energy: -0.855 local terms energy: -303.983588 where: bonds (distance) C4'-P energy: -59.545 bonds (distance) P-C4' energy: -58.088 flat angles C4'-P-C4' energy: -68.225 flat angles P-C4'-P energy: -45.336 tors. eta vs tors. theta energy: -72.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -972.510322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.510322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.510322 (E_RNA) where: Base-Base interactions energy: -702.629 where: short stacking energy: -298.751 Base-Backbone interact. energy: -0.132 local terms energy: -269.749410 where: bonds (distance) C4'-P energy: -45.124 bonds (distance) P-C4' energy: -58.425 flat angles C4'-P-C4' energy: -57.554 flat angles P-C4'-P energy: -46.452 tors. eta vs tors. theta energy: -62.195 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: 9 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -898.027198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.027198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.027198 (E_RNA) where: Base-Base interactions energy: -601.132 where: short stacking energy: -268.094 Base-Backbone interact. energy: -1.256 local terms energy: -295.639853 where: bonds (distance) C4'-P energy: -67.898 bonds (distance) P-C4' energy: -57.135 flat angles C4'-P-C4' energy: -62.729 flat angles P-C4'-P energy: -45.522 tors. eta vs tors. theta energy: -62.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -897.039862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.039862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.039862 (E_RNA) where: Base-Base interactions energy: -618.252 where: short stacking energy: -251.902 Base-Backbone interact. energy: -2.227 local terms energy: -276.560627 where: bonds (distance) C4'-P energy: -54.022 bonds (distance) P-C4' energy: -52.668 flat angles C4'-P-C4' energy: -58.465 flat angles P-C4'-P energy: -37.102 tors. eta vs tors. theta energy: -74.303 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: 3 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -807.276168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.276168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.276168 (E_RNA) where: Base-Base interactions energy: -554.751 where: short stacking energy: -241.849 Base-Backbone interact. energy: -2.098 local terms energy: -250.427088 where: bonds (distance) C4'-P energy: -50.045 bonds (distance) P-C4' energy: -56.401 flat angles C4'-P-C4' energy: -51.225 flat angles P-C4'-P energy: -36.949 tors. eta vs tors. theta energy: -55.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -750.743707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.743707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.743707 (E_RNA) where: Base-Base interactions energy: -500.687 where: short stacking energy: -228.544 Base-Backbone interact. energy: -1.327 local terms energy: -248.730104 where: bonds (distance) C4'-P energy: -44.677 bonds (distance) P-C4' energy: -56.925 flat angles C4'-P-C4' energy: -58.977 flat angles P-C4'-P energy: -43.288 tors. eta vs tors. theta energy: -44.863 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: 2 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -348.634479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.634479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.634479 (E_RNA) where: Base-Base interactions energy: -152.493 where: short stacking energy: -94.517 Base-Backbone interact. energy: -0.621 local terms energy: -195.520704 where: bonds (distance) C4'-P energy: -49.902 bonds (distance) P-C4' energy: -58.135 flat angles C4'-P-C4' energy: -53.202 flat angles P-C4'-P energy: -30.830 tors. eta vs tors. theta energy: -3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1203.615627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.615627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.615627 (E_RNA) where: Base-Base interactions energy: -863.857 where: short stacking energy: -360.263 Base-Backbone interact. energy: -2.953 local terms energy: -336.804944 where: bonds (distance) C4'-P energy: -63.157 bonds (distance) P-C4' energy: -58.969 flat angles C4'-P-C4' energy: -80.308 flat angles P-C4'-P energy: -47.876 tors. eta vs tors. theta energy: -86.495 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: 4 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1163.640897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.640897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.640897 (E_RNA) where: Base-Base interactions energy: -815.018 where: short stacking energy: -358.265 Base-Backbone interact. energy: 0.299 local terms energy: -348.921923 where: bonds (distance) C4'-P energy: -64.444 bonds (distance) P-C4' energy: -65.081 flat angles C4'-P-C4' energy: -75.432 flat angles P-C4'-P energy: -45.251 tors. eta vs tors. theta energy: -98.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1083.093143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.093143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.093143 (E_RNA) where: Base-Base interactions energy: -779.067 where: short stacking energy: -324.714 Base-Backbone interact. energy: -1.658 local terms energy: -302.368607 where: bonds (distance) C4'-P energy: -46.042 bonds (distance) P-C4' energy: -59.481 flat angles C4'-P-C4' energy: -72.502 flat angles P-C4'-P energy: -46.664 tors. eta vs tors. theta energy: -77.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1003.726342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.726342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.726342 (E_RNA) where: Base-Base interactions energy: -701.765 where: short stacking energy: -300.859 Base-Backbone interact. energy: -2.314 local terms energy: -299.647238 where: bonds (distance) C4'-P energy: -57.800 bonds (distance) P-C4' energy: -59.938 flat angles C4'-P-C4' energy: -74.879 flat angles P-C4'-P energy: -37.274 tors. eta vs tors. theta energy: -69.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -984.142809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.142809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.142809 (E_RNA) where: Base-Base interactions energy: -674.307 where: short stacking energy: -305.797 Base-Backbone interact. energy: 0.183 local terms energy: -310.018777 where: bonds (distance) C4'-P energy: -58.488 bonds (distance) P-C4' energy: -66.755 flat angles C4'-P-C4' energy: -64.163 flat angles P-C4'-P energy: -43.951 tors. eta vs tors. theta energy: -76.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -890.334932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.334932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.334932 (E_RNA) where: Base-Base interactions energy: -606.413 where: short stacking energy: -258.432 Base-Backbone interact. energy: -1.827 local terms energy: -282.094287 where: bonds (distance) C4'-P energy: -60.930 bonds (distance) P-C4' energy: -50.392 flat angles C4'-P-C4' energy: -59.898 flat angles P-C4'-P energy: -47.362 tors. eta vs tors. theta energy: -63.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -895.217898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.217898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.217898 (E_RNA) where: Base-Base interactions energy: -612.401 where: short stacking energy: -258.212 Base-Backbone interact. energy: -0.892 local terms energy: -281.924589 where: bonds (distance) C4'-P energy: -48.605 bonds (distance) P-C4' energy: -56.545 flat angles C4'-P-C4' energy: -61.562 flat angles P-C4'-P energy: -49.426 tors. eta vs tors. theta energy: -65.786 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: 3 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -761.354133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.354133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.354133 (E_RNA) where: Base-Base interactions energy: -499.006 where: short stacking energy: -224.110 Base-Backbone interact. energy: -1.739 local terms energy: -260.609823 where: bonds (distance) C4'-P energy: -55.043 bonds (distance) P-C4' energy: -62.388 flat angles C4'-P-C4' energy: -60.042 flat angles P-C4'-P energy: -32.010 tors. eta vs tors. theta energy: -51.127 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: 7 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -707.660276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.660276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.660276 (E_RNA) where: Base-Base interactions energy: -471.653 where: short stacking energy: -219.725 Base-Backbone interact. energy: -0.086 local terms energy: -235.921976 where: bonds (distance) C4'-P energy: -44.392 bonds (distance) P-C4' energy: -58.183 flat angles C4'-P-C4' energy: -56.775 flat angles P-C4'-P energy: -36.047 tors. eta vs tors. theta energy: -40.526 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: 10, replica: 2 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -366.676125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.676125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.676125 (E_RNA) where: Base-Base interactions energy: -182.364 where: short stacking energy: -128.799 Base-Backbone interact. energy: 1.248 local terms energy: -185.560330 where: bonds (distance) C4'-P energy: -44.823 bonds (distance) P-C4' energy: -49.173 flat angles C4'-P-C4' energy: -52.946 flat angles P-C4'-P energy: -34.606 tors. eta vs tors. theta energy: -4.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1191.585345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.585345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.585345 (E_RNA) where: Base-Base interactions energy: -830.765 where: short stacking energy: -350.112 Base-Backbone interact. energy: -2.076 local terms energy: -358.744440 where: bonds (distance) C4'-P energy: -72.197 bonds (distance) P-C4' energy: -66.546 flat angles C4'-P-C4' energy: -75.381 flat angles P-C4'-P energy: -56.724 tors. eta vs tors. theta energy: -87.896 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: 4 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1174.136601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.136601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.136601 (E_RNA) where: Base-Base interactions energy: -831.861 where: short stacking energy: -359.436 Base-Backbone interact. energy: 0.566 local terms energy: -342.842179 where: bonds (distance) C4'-P energy: -59.744 bonds (distance) P-C4' energy: -66.230 flat angles C4'-P-C4' energy: -69.722 flat angles P-C4'-P energy: -46.898 tors. eta vs tors. theta energy: -100.248 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: 1 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1087.516375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.516375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.516375 (E_RNA) where: Base-Base interactions energy: -772.312 where: short stacking energy: -297.308 Base-Backbone interact. energy: 2.353 local terms energy: -317.557195 where: bonds (distance) C4'-P energy: -51.766 bonds (distance) P-C4' energy: -71.070 flat angles C4'-P-C4' energy: -72.358 flat angles P-C4'-P energy: -45.895 tors. eta vs tors. theta energy: -76.468 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: 8 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1020.992503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.992503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.992503 (E_RNA) where: Base-Base interactions energy: -702.633 where: short stacking energy: -298.998 Base-Backbone interact. energy: -1.370 local terms energy: -316.989901 where: bonds (distance) C4'-P energy: -59.643 bonds (distance) P-C4' energy: -67.100 flat angles C4'-P-C4' energy: -62.773 flat angles P-C4'-P energy: -46.138 tors. eta vs tors. theta energy: -81.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1001.332985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.332985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.332985 (E_RNA) where: Base-Base interactions energy: -684.858 where: short stacking energy: -306.531 Base-Backbone interact. energy: -2.555 local terms energy: -313.919876 where: bonds (distance) C4'-P energy: -57.208 bonds (distance) P-C4' energy: -65.273 flat angles C4'-P-C4' energy: -66.938 flat angles P-C4'-P energy: -46.469 tors. eta vs tors. theta energy: -78.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -905.078375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.078375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.078375 (E_RNA) where: Base-Base interactions energy: -608.272 where: short stacking energy: -254.914 Base-Backbone interact. energy: -2.062 local terms energy: -294.744519 where: bonds (distance) C4'-P energy: -59.721 bonds (distance) P-C4' energy: -60.481 flat angles C4'-P-C4' energy: -56.535 flat angles P-C4'-P energy: -47.656 tors. eta vs tors. theta energy: -70.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -885.005074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.005074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.005074 (E_RNA) where: Base-Base interactions energy: -611.586 where: short stacking energy: -255.882 Base-Backbone interact. energy: -1.633 local terms energy: -271.785431 where: bonds (distance) C4'-P energy: -49.892 bonds (distance) P-C4' energy: -64.335 flat angles C4'-P-C4' energy: -58.032 flat angles P-C4'-P energy: -40.783 tors. eta vs tors. theta energy: -58.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -752.011423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.011423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.011423 (E_RNA) where: Base-Base interactions energy: -515.735 where: short stacking energy: -219.119 Base-Backbone interact. energy: 1.145 local terms energy: -237.420937 where: bonds (distance) C4'-P energy: -47.991 bonds (distance) P-C4' energy: -61.139 flat angles C4'-P-C4' energy: -55.478 flat angles P-C4'-P energy: -34.058 tors. eta vs tors. theta energy: -38.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -683.168242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.168242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.168242 (E_RNA) where: Base-Base interactions energy: -462.339 where: short stacking energy: -193.584 Base-Backbone interact. energy: 0.028 local terms energy: -220.857516 where: bonds (distance) C4'-P energy: -47.273 bonds (distance) P-C4' energy: -48.061 flat angles C4'-P-C4' energy: -59.047 flat angles P-C4'-P energy: -25.226 tors. eta vs tors. theta energy: -41.251 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: 2 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -394.754453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.754453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.754453 (E_RNA) where: Base-Base interactions energy: -206.860 where: short stacking energy: -112.136 Base-Backbone interact. energy: -0.828 local terms energy: -187.066785 where: bonds (distance) C4'-P energy: -50.406 bonds (distance) P-C4' energy: -57.488 flat angles C4'-P-C4' energy: -48.675 flat angles P-C4'-P energy: -31.074 tors. eta vs tors. theta energy: 0.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1197.167828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.167828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.167828 (E_RNA) where: Base-Base interactions energy: -864.651 where: short stacking energy: -352.939 Base-Backbone interact. energy: -1.954 local terms energy: -330.563265 where: bonds (distance) C4'-P energy: -64.522 bonds (distance) P-C4' energy: -56.211 flat angles C4'-P-C4' energy: -75.333 flat angles P-C4'-P energy: -45.920 tors. eta vs tors. theta energy: -88.578 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: 4 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1148.030117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.030117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.030117 (E_RNA) where: Base-Base interactions energy: -802.701 where: short stacking energy: -339.336 Base-Backbone interact. energy: -0.266 local terms energy: -345.062753 where: bonds (distance) C4'-P energy: -62.049 bonds (distance) P-C4' energy: -57.166 flat angles C4'-P-C4' energy: -70.587 flat angles P-C4'-P energy: -52.971 tors. eta vs tors. theta energy: -102.290 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: 1 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1094.256186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.256186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.256186 (E_RNA) where: Base-Base interactions energy: -784.177 where: short stacking energy: -301.950 Base-Backbone interact. energy: -1.644 local terms energy: -308.435369 where: bonds (distance) C4'-P energy: -55.624 bonds (distance) P-C4' energy: -59.160 flat angles C4'-P-C4' energy: -70.392 flat angles P-C4'-P energy: -47.397 tors. eta vs tors. theta energy: -75.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1023.773208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.773208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.773208 (E_RNA) where: Base-Base interactions energy: -701.651 where: short stacking energy: -314.226 Base-Backbone interact. energy: -0.963 local terms energy: -321.159242 where: bonds (distance) C4'-P energy: -56.499 bonds (distance) P-C4' energy: -56.871 flat angles C4'-P-C4' energy: -69.558 flat angles P-C4'-P energy: -56.327 tors. eta vs tors. theta energy: -81.904 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: 5, replica: 8 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1010.530874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.530874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.530874 (E_RNA) where: Base-Base interactions energy: -702.955 where: short stacking energy: -299.505 Base-Backbone interact. energy: -1.418 local terms energy: -306.158284 where: bonds (distance) C4'-P energy: -53.351 bonds (distance) P-C4' energy: -62.454 flat angles C4'-P-C4' energy: -66.608 flat angles P-C4'-P energy: -48.756 tors. eta vs tors. theta energy: -74.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -927.049560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.049560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.049560 (E_RNA) where: Base-Base interactions energy: -638.813 where: short stacking energy: -276.038 Base-Backbone interact. energy: -0.433 local terms energy: -287.803823 where: bonds (distance) C4'-P energy: -51.186 bonds (distance) P-C4' energy: -63.137 flat angles C4'-P-C4' energy: -60.774 flat angles P-C4'-P energy: -43.953 tors. eta vs tors. theta energy: -68.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -880.946526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.946526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.946526 (E_RNA) where: Base-Base interactions energy: -617.635 where: short stacking energy: -256.536 Base-Backbone interact. energy: -1.452 local terms energy: -261.859643 where: bonds (distance) C4'-P energy: -45.841 bonds (distance) P-C4' energy: -53.708 flat angles C4'-P-C4' energy: -60.242 flat angles P-C4'-P energy: -35.482 tors. eta vs tors. theta energy: -66.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -748.113155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.113155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.113155 (E_RNA) where: Base-Base interactions energy: -494.229 where: short stacking energy: -212.648 Base-Backbone interact. energy: -0.360 local terms energy: -253.524007 where: bonds (distance) C4'-P energy: -51.537 bonds (distance) P-C4' energy: -58.990 flat angles C4'-P-C4' energy: -58.951 flat angles P-C4'-P energy: -33.969 tors. eta vs tors. theta energy: -50.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -689.952933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.952933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.952933 (E_RNA) where: Base-Base interactions energy: -462.537 where: short stacking energy: -217.199 Base-Backbone interact. energy: 2.107 local terms energy: -229.522363 where: bonds (distance) C4'-P energy: -53.186 bonds (distance) P-C4' energy: -35.413 flat angles C4'-P-C4' energy: -61.207 flat angles P-C4'-P energy: -28.820 tors. eta vs tors. theta energy: -50.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -401.753922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.753922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.753922 (E_RNA) where: Base-Base interactions energy: -208.129 where: short stacking energy: -112.708 Base-Backbone interact. energy: 2.306 local terms energy: -195.931280 where: bonds (distance) C4'-P energy: -59.404 bonds (distance) P-C4' energy: -41.920 flat angles C4'-P-C4' energy: -45.810 flat angles P-C4'-P energy: -35.972 tors. eta vs tors. theta energy: -12.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1185.033436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.033436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.033436 (E_RNA) where: Base-Base interactions energy: -828.915 where: short stacking energy: -356.572 Base-Backbone interact. energy: -0.862 local terms energy: -355.255995 where: bonds (distance) C4'-P energy: -68.985 bonds (distance) P-C4' energy: -64.797 flat angles C4'-P-C4' energy: -69.132 flat angles P-C4'-P energy: -48.057 tors. eta vs tors. theta energy: -104.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1178.980470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.980470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.980470 (E_RNA) where: Base-Base interactions energy: -831.852 where: short stacking energy: -339.662 Base-Backbone interact. energy: -3.269 local terms energy: -343.859842 where: bonds (distance) C4'-P energy: -59.375 bonds (distance) P-C4' energy: -67.703 flat angles C4'-P-C4' energy: -74.118 flat angles P-C4'-P energy: -51.652 tors. eta vs tors. theta energy: -91.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1087.449770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.449770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.449770 (E_RNA) where: Base-Base interactions energy: -781.415 where: short stacking energy: -309.279 Base-Backbone interact. energy: -0.318 local terms energy: -305.716809 where: bonds (distance) C4'-P energy: -55.889 bonds (distance) P-C4' energy: -50.373 flat angles C4'-P-C4' energy: -69.223 flat angles P-C4'-P energy: -50.672 tors. eta vs tors. theta energy: -79.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1040.391118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.391118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.391118 (E_RNA) where: Base-Base interactions energy: -728.533 where: short stacking energy: -322.207 Base-Backbone interact. energy: 2.736 local terms energy: -314.594655 where: bonds (distance) C4'-P energy: -67.326 bonds (distance) P-C4' energy: -58.355 flat angles C4'-P-C4' energy: -60.355 flat angles P-C4'-P energy: -47.728 tors. eta vs tors. theta energy: -80.830 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: 5, replica: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -996.045115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.045115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.045115 (E_RNA) where: Base-Base interactions energy: -686.394 where: short stacking energy: -292.660 Base-Backbone interact. energy: -1.370 local terms energy: -308.281868 where: bonds (distance) C4'-P energy: -60.069 bonds (distance) P-C4' energy: -63.115 flat angles C4'-P-C4' energy: -66.080 flat angles P-C4'-P energy: -40.018 tors. eta vs tors. theta energy: -78.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -919.626241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.626241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.626241 (E_RNA) where: Base-Base interactions energy: -643.847 where: short stacking energy: -269.391 Base-Backbone interact. energy: -1.558 local terms energy: -274.221472 where: bonds (distance) C4'-P energy: -59.235 bonds (distance) P-C4' energy: -50.662 flat angles C4'-P-C4' energy: -63.140 flat angles P-C4'-P energy: -38.767 tors. eta vs tors. theta energy: -62.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -892.328514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.328514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.328514 (E_RNA) where: Base-Base interactions energy: -632.906 where: short stacking energy: -252.945 Base-Backbone interact. energy: 3.016 local terms energy: -262.438433 where: bonds (distance) C4'-P energy: -39.555 bonds (distance) P-C4' energy: -57.266 flat angles C4'-P-C4' energy: -66.956 flat angles P-C4'-P energy: -42.293 tors. eta vs tors. theta energy: -56.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -716.475352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.475352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.475352 (E_RNA) where: Base-Base interactions energy: -467.052 where: short stacking energy: -208.581 Base-Backbone interact. energy: -1.383 local terms energy: -248.040524 where: bonds (distance) C4'-P energy: -48.390 bonds (distance) P-C4' energy: -56.524 flat angles C4'-P-C4' energy: -65.235 flat angles P-C4'-P energy: -29.522 tors. eta vs tors. theta energy: -48.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -647.329141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.329141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.329141 (E_RNA) where: Base-Base interactions energy: -445.331 where: short stacking energy: -198.384 Base-Backbone interact. energy: -0.997 local terms energy: -201.001320 where: bonds (distance) C4'-P energy: -33.428 bonds (distance) P-C4' energy: -47.478 flat angles C4'-P-C4' energy: -52.337 flat angles P-C4'-P energy: -31.801 tors. eta vs tors. theta energy: -35.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -438.261404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.261404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.261404 (E_RNA) where: Base-Base interactions energy: -244.810 where: short stacking energy: -136.399 Base-Backbone interact. energy: 0.685 local terms energy: -194.136551 where: bonds (distance) C4'-P energy: -49.523 bonds (distance) P-C4' energy: -54.540 flat angles C4'-P-C4' energy: -38.057 flat angles P-C4'-P energy: -38.932 tors. eta vs tors. theta energy: -13.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1197.968582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.968582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.968582 (E_RNA) where: Base-Base interactions energy: -842.437 where: short stacking energy: -364.942 Base-Backbone interact. energy: 0.449 local terms energy: -355.980463 where: bonds (distance) C4'-P energy: -65.099 bonds (distance) P-C4' energy: -63.028 flat angles C4'-P-C4' energy: -77.892 flat angles P-C4'-P energy: -42.950 tors. eta vs tors. theta energy: -107.012 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: 10 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1179.781395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.781395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.781395 (E_RNA) where: Base-Base interactions energy: -832.477 where: short stacking energy: -344.140 Base-Backbone interact. energy: -2.624 local terms energy: -344.679954 where: bonds (distance) C4'-P energy: -69.639 bonds (distance) P-C4' energy: -69.365 flat angles C4'-P-C4' energy: -68.236 flat angles P-C4'-P energy: -45.515 tors. eta vs tors. theta energy: -91.925 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: 1 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1120.320131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.320131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.320131 (E_RNA) where: Base-Base interactions energy: -795.167 where: short stacking energy: -322.853 Base-Backbone interact. energy: -0.283 local terms energy: -324.870555 where: bonds (distance) C4'-P energy: -65.665 bonds (distance) P-C4' energy: -60.482 flat angles C4'-P-C4' energy: -71.847 flat angles P-C4'-P energy: -45.729 tors. eta vs tors. theta energy: -81.147 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: 4, replica: 5 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1035.598654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.598654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.598654 (E_RNA) where: Base-Base interactions energy: -724.724 where: short stacking energy: -311.551 Base-Backbone interact. energy: 0.066 local terms energy: -310.940524 where: bonds (distance) C4'-P energy: -60.756 bonds (distance) P-C4' energy: -60.889 flat angles C4'-P-C4' energy: -66.559 flat angles P-C4'-P energy: -43.569 tors. eta vs tors. theta energy: -79.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1009.674526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.674526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.674526 (E_RNA) where: Base-Base interactions energy: -700.908 where: short stacking energy: -305.125 Base-Backbone interact. energy: -0.203 local terms energy: -308.564177 where: bonds (distance) C4'-P energy: -62.495 bonds (distance) P-C4' energy: -53.399 flat angles C4'-P-C4' energy: -68.381 flat angles P-C4'-P energy: -44.523 tors. eta vs tors. theta energy: -79.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -909.152388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.152388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.152388 (E_RNA) where: Base-Base interactions energy: -624.977 where: short stacking energy: -259.723 Base-Backbone interact. energy: -1.389 local terms energy: -282.786313 where: bonds (distance) C4'-P energy: -69.645 bonds (distance) P-C4' energy: -55.101 flat angles C4'-P-C4' energy: -58.708 flat angles P-C4'-P energy: -37.180 tors. eta vs tors. theta energy: -62.152 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: 6 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -923.068678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.068678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.068678 (E_RNA) where: Base-Base interactions energy: -633.327 where: short stacking energy: -256.675 Base-Backbone interact. energy: 0.012 local terms energy: -289.753828 where: bonds (distance) C4'-P energy: -57.966 bonds (distance) P-C4' energy: -60.421 flat angles C4'-P-C4' energy: -63.836 flat angles P-C4'-P energy: -38.954 tors. eta vs tors. theta energy: -68.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -740.647265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.647265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.647265 (E_RNA) where: Base-Base interactions energy: -493.566 where: short stacking energy: -221.461 Base-Backbone interact. energy: -0.458 local terms energy: -246.622490 where: bonds (distance) C4'-P energy: -60.730 bonds (distance) P-C4' energy: -50.812 flat angles C4'-P-C4' energy: -51.911 flat angles P-C4'-P energy: -31.281 tors. eta vs tors. theta energy: -51.888 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: 9, replica: 3 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -727.032179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.032179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.032179 (E_RNA) where: Base-Base interactions energy: -472.169 where: short stacking energy: -209.282 Base-Backbone interact. energy: -1.374 local terms energy: -253.489523 where: bonds (distance) C4'-P energy: -50.721 bonds (distance) P-C4' energy: -63.814 flat angles C4'-P-C4' energy: -59.301 flat angles P-C4'-P energy: -38.519 tors. eta vs tors. theta energy: -41.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -468.780410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.780410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.780410 (E_RNA) where: Base-Base interactions energy: -277.752 where: short stacking energy: -127.602 Base-Backbone interact. energy: -0.531 local terms energy: -190.497408 where: bonds (distance) C4'-P energy: -56.373 bonds (distance) P-C4' energy: -51.475 flat angles C4'-P-C4' energy: -42.511 flat angles P-C4'-P energy: -30.112 tors. eta vs tors. theta energy: -10.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1195.415969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.415969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.415969 (E_RNA) where: Base-Base interactions energy: -843.364 where: short stacking energy: -357.425 Base-Backbone interact. energy: -0.426 local terms energy: -351.626356 where: bonds (distance) C4'-P energy: -63.470 bonds (distance) P-C4' energy: -66.392 flat angles C4'-P-C4' energy: -73.073 flat angles P-C4'-P energy: -45.295 tors. eta vs tors. theta energy: -103.396 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: 10 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1176.969172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.969172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.969172 (E_RNA) where: Base-Base interactions energy: -850.883 where: short stacking energy: -348.487 Base-Backbone interact. energy: -4.020 local terms energy: -322.066199 where: bonds (distance) C4'-P energy: -62.464 bonds (distance) P-C4' energy: -60.090 flat angles C4'-P-C4' energy: -73.216 flat angles P-C4'-P energy: -40.636 tors. eta vs tors. theta energy: -85.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1113.131315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.131315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.131315 (E_RNA) where: Base-Base interactions energy: -790.616 where: short stacking energy: -333.518 Base-Backbone interact. energy: -2.261 local terms energy: -320.254338 where: bonds (distance) C4'-P energy: -66.744 bonds (distance) P-C4' energy: -63.245 flat angles C4'-P-C4' energy: -63.578 flat angles P-C4'-P energy: -43.798 tors. eta vs tors. theta energy: -82.890 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: 276 Temperature: 1.050000 Total energy: -1045.927747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.927747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.927747 (E_RNA) where: Base-Base interactions energy: -727.474 where: short stacking energy: -320.773 Base-Backbone interact. energy: 0.231 local terms energy: -318.684840 where: bonds (distance) C4'-P energy: -55.684 bonds (distance) P-C4' energy: -56.429 flat angles C4'-P-C4' energy: -72.059 flat angles P-C4'-P energy: -46.004 tors. eta vs tors. theta energy: -88.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -976.606422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.606422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.606422 (E_RNA) where: Base-Base interactions energy: -663.427 where: short stacking energy: -294.692 Base-Backbone interact. energy: -1.232 local terms energy: -311.947822 where: bonds (distance) C4'-P energy: -62.028 bonds (distance) P-C4' energy: -57.996 flat angles C4'-P-C4' energy: -68.680 flat angles P-C4'-P energy: -40.849 tors. eta vs tors. theta energy: -82.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -923.386105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.386105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.386105 (E_RNA) where: Base-Base interactions energy: -635.516 where: short stacking energy: -277.059 Base-Backbone interact. energy: -0.550 local terms energy: -287.320158 where: bonds (distance) C4'-P energy: -54.906 bonds (distance) P-C4' energy: -61.342 flat angles C4'-P-C4' energy: -62.352 flat angles P-C4'-P energy: -38.463 tors. eta vs tors. theta energy: -70.257 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: 6 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -902.307971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.307971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.307971 (E_RNA) where: Base-Base interactions energy: -621.872 where: short stacking energy: -275.641 Base-Backbone interact. energy: -4.250 local terms energy: -276.186302 where: bonds (distance) C4'-P energy: -64.676 bonds (distance) P-C4' energy: -46.272 flat angles C4'-P-C4' energy: -58.681 flat angles P-C4'-P energy: -43.212 tors. eta vs tors. theta energy: -63.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -727.878185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.878185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.878185 (E_RNA) where: Base-Base interactions energy: -475.956 where: short stacking energy: -209.809 Base-Backbone interact. energy: -1.911 local terms energy: -250.011435 where: bonds (distance) C4'-P energy: -55.994 bonds (distance) P-C4' energy: -43.850 flat angles C4'-P-C4' energy: -54.478 flat angles P-C4'-P energy: -45.209 tors. eta vs tors. theta energy: -50.480 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: 3 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -725.170862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.170862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.170862 (E_RNA) where: Base-Base interactions energy: -491.608 where: short stacking energy: -220.061 Base-Backbone interact. energy: -0.556 local terms energy: -233.006211 where: bonds (distance) C4'-P energy: -39.605 bonds (distance) P-C4' energy: -56.415 flat angles C4'-P-C4' energy: -60.996 flat angles P-C4'-P energy: -26.811 tors. eta vs tors. theta energy: -49.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -436.257315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.257315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.257315 (E_RNA) where: Base-Base interactions energy: -231.381 where: short stacking energy: -139.089 Base-Backbone interact. energy: -0.218 local terms energy: -204.658563 where: bonds (distance) C4'-P energy: -60.267 bonds (distance) P-C4' energy: -47.910 flat angles C4'-P-C4' energy: -55.943 flat angles P-C4'-P energy: -29.569 tors. eta vs tors. theta energy: -10.969 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: 4 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1197.267327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.267327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.267327 (E_RNA) where: Base-Base interactions energy: -841.467 where: short stacking energy: -373.728 Base-Backbone interact. energy: -1.975 local terms energy: -353.825185 where: bonds (distance) C4'-P energy: -61.716 bonds (distance) P-C4' energy: -63.801 flat angles C4'-P-C4' energy: -76.564 flat angles P-C4'-P energy: -44.692 tors. eta vs tors. theta energy: -107.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1153.786528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.786528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.786528 (E_RNA) where: Base-Base interactions energy: -812.078 where: short stacking energy: -320.531 Base-Backbone interact. energy: 0.656 local terms energy: -342.364421 where: bonds (distance) C4'-P energy: -66.752 bonds (distance) P-C4' energy: -71.373 flat angles C4'-P-C4' energy: -65.974 flat angles P-C4'-P energy: -50.483 tors. eta vs tors. theta energy: -87.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1136.353362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.353362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.353362 (E_RNA) where: Base-Base interactions energy: -802.997 where: short stacking energy: -339.836 Base-Backbone interact. energy: -2.968 local terms energy: -330.388243 where: bonds (distance) C4'-P energy: -57.572 bonds (distance) P-C4' energy: -63.436 flat angles C4'-P-C4' energy: -69.563 flat angles P-C4'-P energy: -45.658 tors. eta vs tors. theta energy: -94.160 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: 4, replica: 5 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1056.145996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.145996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.145996 (E_RNA) where: Base-Base interactions energy: -732.843 where: short stacking energy: -317.763 Base-Backbone interact. energy: -2.096 local terms energy: -321.206972 where: bonds (distance) C4'-P energy: -53.528 bonds (distance) P-C4' energy: -57.849 flat angles C4'-P-C4' energy: -68.586 flat angles P-C4'-P energy: -51.948 tors. eta vs tors. theta energy: -89.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -986.189707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.189707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.189707 (E_RNA) where: Base-Base interactions energy: -711.787 where: short stacking energy: -295.694 Base-Backbone interact. energy: 2.118 local terms energy: -276.521485 where: bonds (distance) C4'-P energy: -46.565 bonds (distance) P-C4' energy: -53.881 flat angles C4'-P-C4' energy: -59.860 flat angles P-C4'-P energy: -39.030 tors. eta vs tors. theta energy: -77.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -909.846708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.846708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.846708 (E_RNA) where: Base-Base interactions energy: -628.811 where: short stacking energy: -281.585 Base-Backbone interact. energy: -0.413 local terms energy: -280.622694 where: bonds (distance) C4'-P energy: -35.158 bonds (distance) P-C4' energy: -68.234 flat angles C4'-P-C4' energy: -67.415 flat angles P-C4'-P energy: -41.463 tors. eta vs tors. theta energy: -68.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -887.415776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.415776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.415776 (E_RNA) where: Base-Base interactions energy: -606.716 where: short stacking energy: -269.827 Base-Backbone interact. energy: -3.281 local terms energy: -277.418652 where: bonds (distance) C4'-P energy: -41.463 bonds (distance) P-C4' energy: -67.311 flat angles C4'-P-C4' energy: -62.574 flat angles P-C4'-P energy: -35.401 tors. eta vs tors. theta energy: -70.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -739.093936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.093936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.093936 (E_RNA) where: Base-Base interactions energy: -501.420 where: short stacking energy: -239.868 Base-Backbone interact. energy: -1.162 local terms energy: -236.511451 where: bonds (distance) C4'-P energy: -42.332 bonds (distance) P-C4' energy: -49.059 flat angles C4'-P-C4' energy: -62.659 flat angles P-C4'-P energy: -28.656 tors. eta vs tors. theta energy: -53.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -696.869705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.869705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.869705 (E_RNA) where: Base-Base interactions energy: -465.028 where: short stacking energy: -219.857 Base-Backbone interact. energy: 0.638 local terms energy: -232.479277 where: bonds (distance) C4'-P energy: -47.123 bonds (distance) P-C4' energy: -50.865 flat angles C4'-P-C4' energy: -54.076 flat angles P-C4'-P energy: -31.976 tors. eta vs tors. theta energy: -48.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -491.458170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.458170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.458170 (E_RNA) where: Base-Base interactions energy: -283.853 where: short stacking energy: -150.169 Base-Backbone interact. energy: -1.182 local terms energy: -206.422795 where: bonds (distance) C4'-P energy: -44.920 bonds (distance) P-C4' energy: -48.978 flat angles C4'-P-C4' energy: -49.560 flat angles P-C4'-P energy: -44.841 tors. eta vs tors. theta energy: -18.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1183.729564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.729564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.729564 (E_RNA) where: Base-Base interactions energy: -843.523 where: short stacking energy: -364.624 Base-Backbone interact. energy: -0.664 local terms energy: -339.542201 where: bonds (distance) C4'-P energy: -62.492 bonds (distance) P-C4' energy: -66.862 flat angles C4'-P-C4' energy: -63.233 flat angles P-C4'-P energy: -46.985 tors. eta vs tors. theta energy: -99.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1151.991520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.991520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.991520 (E_RNA) where: Base-Base interactions energy: -818.178 where: short stacking energy: -336.315 Base-Backbone interact. energy: -1.976 local terms energy: -331.837544 where: bonds (distance) C4'-P energy: -67.334 bonds (distance) P-C4' energy: -65.160 flat angles C4'-P-C4' energy: -65.108 flat angles P-C4'-P energy: -46.880 tors. eta vs tors. theta energy: -87.356 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: 278 Temperature: 1.000000 Total energy: -1064.008321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.008321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.008321 (E_RNA) where: Base-Base interactions energy: -741.217 where: short stacking energy: -338.892 Base-Backbone interact. energy: -0.163 local terms energy: -322.627673 where: bonds (distance) C4'-P energy: -58.109 bonds (distance) P-C4' energy: -62.560 flat angles C4'-P-C4' energy: -66.166 flat angles P-C4'-P energy: -47.288 tors. eta vs tors. theta energy: -88.505 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: 10 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1133.054388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.054388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.054388 (E_RNA) where: Base-Base interactions energy: -818.692 where: short stacking energy: -344.073 Base-Backbone interact. energy: 2.599 local terms energy: -316.961503 where: bonds (distance) C4'-P energy: -59.795 bonds (distance) P-C4' energy: -61.754 flat angles C4'-P-C4' energy: -66.784 flat angles P-C4'-P energy: -40.357 tors. eta vs tors. theta energy: -88.271 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: 9 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -967.827977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.827977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.827977 (E_RNA) where: Base-Base interactions energy: -675.134 where: short stacking energy: -295.113 Base-Backbone interact. energy: -0.977 local terms energy: -291.716510 where: bonds (distance) C4'-P energy: -53.544 bonds (distance) P-C4' energy: -54.118 flat angles C4'-P-C4' energy: -64.353 flat angles P-C4'-P energy: -50.964 tors. eta vs tors. theta energy: -68.738 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: 8 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -951.631923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.631923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.631923 (E_RNA) where: Base-Base interactions energy: -664.981 where: short stacking energy: -277.143 Base-Backbone interact. energy: 0.871 local terms energy: -287.522495 where: bonds (distance) C4'-P energy: -56.173 bonds (distance) P-C4' energy: -56.095 flat angles C4'-P-C4' energy: -67.405 flat angles P-C4'-P energy: -35.922 tors. eta vs tors. theta energy: -71.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -928.564507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.564507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.564507 (E_RNA) where: Base-Base interactions energy: -670.116 where: short stacking energy: -263.580 Base-Backbone interact. energy: -0.837 local terms energy: -257.612242 where: bonds (distance) C4'-P energy: -43.158 bonds (distance) P-C4' energy: -59.750 flat angles C4'-P-C4' energy: -60.443 flat angles P-C4'-P energy: -33.962 tors. eta vs tors. theta energy: -60.300 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: 7 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -738.707174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.707174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.707174 (E_RNA) where: Base-Base interactions energy: -504.161 where: short stacking energy: -219.546 Base-Backbone interact. energy: -1.186 local terms energy: -233.360351 where: bonds (distance) C4'-P energy: -48.144 bonds (distance) P-C4' energy: -54.053 flat angles C4'-P-C4' energy: -50.689 flat angles P-C4'-P energy: -31.918 tors. eta vs tors. theta energy: -48.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -723.018745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.018745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.018745 (E_RNA) where: Base-Base interactions energy: -490.550 where: short stacking energy: -194.565 Base-Backbone interact. energy: 0.183 local terms energy: -232.652252 where: bonds (distance) C4'-P energy: -58.039 bonds (distance) P-C4' energy: -61.609 flat angles C4'-P-C4' energy: -50.912 flat angles P-C4'-P energy: -28.639 tors. eta vs tors. theta energy: -33.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -537.849461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.849461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.849461 (E_RNA) where: Base-Base interactions energy: -357.000 where: short stacking energy: -159.818 Base-Backbone interact. energy: 0.459 local terms energy: -181.308502 where: bonds (distance) C4'-P energy: -43.097 bonds (distance) P-C4' energy: -54.956 flat angles C4'-P-C4' energy: -46.749 flat angles P-C4'-P energy: -14.810 tors. eta vs tors. theta energy: -21.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1175.359809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.359809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.359809 (E_RNA) where: Base-Base interactions energy: -814.545 where: short stacking energy: -367.547 Base-Backbone interact. energy: -1.634 local terms energy: -359.181079 where: bonds (distance) C4'-P energy: -68.768 bonds (distance) P-C4' energy: -64.779 flat angles C4'-P-C4' energy: -76.499 flat angles P-C4'-P energy: -48.738 tors. eta vs tors. theta energy: -100.398 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: 2, replica: 1 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1136.413345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.413345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.413345 (E_RNA) where: Base-Base interactions energy: -799.340 where: short stacking energy: -342.114 Base-Backbone interact. energy: -1.829 local terms energy: -335.244625 where: bonds (distance) C4'-P energy: -65.175 bonds (distance) P-C4' energy: -65.142 flat angles C4'-P-C4' energy: -73.924 flat angles P-C4'-P energy: -49.593 tors. eta vs tors. theta energy: -81.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1068.921527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.921527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.921527 (E_RNA) where: Base-Base interactions energy: -748.230 where: short stacking energy: -320.696 Base-Backbone interact. energy: 1.374 local terms energy: -322.065586 where: bonds (distance) C4'-P energy: -62.645 bonds (distance) P-C4' energy: -59.779 flat angles C4'-P-C4' energy: -70.462 flat angles P-C4'-P energy: -46.626 tors. eta vs tors. theta energy: -82.554 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: 10 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1108.045223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.045223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.045223 (E_RNA) where: Base-Base interactions energy: -777.326 where: short stacking energy: -328.699 Base-Backbone interact. energy: -0.805 local terms energy: -329.914285 where: bonds (distance) C4'-P energy: -58.055 bonds (distance) P-C4' energy: -71.119 flat angles C4'-P-C4' energy: -67.738 flat angles P-C4'-P energy: -49.449 tors. eta vs tors. theta energy: -83.554 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: 9 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -950.127535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.127535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.127535 (E_RNA) where: Base-Base interactions energy: -654.653 where: short stacking energy: -286.672 Base-Backbone interact. energy: -1.675 local terms energy: -293.798876 where: bonds (distance) C4'-P energy: -57.829 bonds (distance) P-C4' energy: -61.357 flat angles C4'-P-C4' energy: -68.320 flat angles P-C4'-P energy: -38.924 tors. eta vs tors. theta energy: -67.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -964.840174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.840174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.840174 (E_RNA) where: Base-Base interactions energy: -665.566 where: short stacking energy: -268.130 Base-Backbone interact. energy: 1.110 local terms energy: -300.383424 where: bonds (distance) C4'-P energy: -67.139 bonds (distance) P-C4' energy: -61.992 flat angles C4'-P-C4' energy: -62.700 flat angles P-C4'-P energy: -37.779 tors. eta vs tors. theta energy: -70.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -913.211826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.211826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.211826 (E_RNA) where: Base-Base interactions energy: -638.819 where: short stacking energy: -256.694 Base-Backbone interact. energy: 0.813 local terms energy: -275.206052 where: bonds (distance) C4'-P energy: -49.260 bonds (distance) P-C4' energy: -50.114 flat angles C4'-P-C4' energy: -72.854 flat angles P-C4'-P energy: -36.161 tors. eta vs tors. theta energy: -66.817 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: 3 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -736.469024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.469024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.469024 (E_RNA) where: Base-Base interactions energy: -511.922 where: short stacking energy: -206.380 Base-Backbone interact. energy: 0.025 local terms energy: -224.571650 where: bonds (distance) C4'-P energy: -50.566 bonds (distance) P-C4' energy: -54.993 flat angles C4'-P-C4' energy: -56.631 flat angles P-C4'-P energy: -30.269 tors. eta vs tors. theta energy: -32.114 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: 7 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -767.245991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.245991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.245991 (E_RNA) where: Base-Base interactions energy: -514.577 where: short stacking energy: -233.723 Base-Backbone interact. energy: 0.685 local terms energy: -253.353862 where: bonds (distance) C4'-P energy: -45.399 bonds (distance) P-C4' energy: -56.846 flat angles C4'-P-C4' energy: -59.208 flat angles P-C4'-P energy: -47.423 tors. eta vs tors. theta energy: -44.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -497.571663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.571663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.571663 (E_RNA) where: Base-Base interactions energy: -296.855 where: short stacking energy: -126.007 Base-Backbone interact. energy: -1.370 local terms energy: -199.346734 where: bonds (distance) C4'-P energy: -54.762 bonds (distance) P-C4' energy: -59.568 flat angles C4'-P-C4' energy: -54.062 flat angles P-C4'-P energy: -18.468 tors. eta vs tors. theta energy: -12.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1197.401406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.401406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.401406 (E_RNA) where: Base-Base interactions energy: -829.136 where: short stacking energy: -365.470 Base-Backbone interact. energy: -1.324 local terms energy: -366.941203 where: bonds (distance) C4'-P energy: -68.806 bonds (distance) P-C4' energy: -71.590 flat angles C4'-P-C4' energy: -71.113 flat angles P-C4'-P energy: -49.389 tors. eta vs tors. theta energy: -106.044 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: 1 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1129.438755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.438755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.438755 (E_RNA) where: Base-Base interactions energy: -810.469 where: short stacking energy: -338.820 Base-Backbone interact. energy: 0.627 local terms energy: -319.596964 where: bonds (distance) C4'-P energy: -69.237 bonds (distance) P-C4' energy: -62.997 flat angles C4'-P-C4' energy: -64.646 flat angles P-C4'-P energy: -44.955 tors. eta vs tors. theta energy: -77.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1116.524066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.524066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.524066 (E_RNA) where: Base-Base interactions energy: -801.129 where: short stacking energy: -330.101 Base-Backbone interact. energy: -2.716 local terms energy: -312.679099 where: bonds (distance) C4'-P energy: -54.775 bonds (distance) P-C4' energy: -70.320 flat angles C4'-P-C4' energy: -71.365 flat angles P-C4'-P energy: -38.409 tors. eta vs tors. theta energy: -77.810 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: 5 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1058.986203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.986203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.986203 (E_RNA) where: Base-Base interactions energy: -726.056 where: short stacking energy: -324.947 Base-Backbone interact. energy: -1.617 local terms energy: -331.313464 where: bonds (distance) C4'-P energy: -60.446 bonds (distance) P-C4' energy: -54.852 flat angles C4'-P-C4' energy: -70.605 flat angles P-C4'-P energy: -49.879 tors. eta vs tors. theta energy: -95.531 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: 9 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -966.000402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.000402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.000402 (E_RNA) where: Base-Base interactions energy: -678.657 where: short stacking energy: -284.186 Base-Backbone interact. energy: -1.961 local terms energy: -285.381997 where: bonds (distance) C4'-P energy: -58.478 bonds (distance) P-C4' energy: -58.505 flat angles C4'-P-C4' energy: -61.151 flat angles P-C4'-P energy: -38.879 tors. eta vs tors. theta energy: -68.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -966.930671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.930671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.930671 (E_RNA) where: Base-Base interactions energy: -678.790 where: short stacking energy: -297.119 Base-Backbone interact. energy: -0.559 local terms energy: -287.581764 where: bonds (distance) C4'-P energy: -47.467 bonds (distance) P-C4' energy: -62.170 flat angles C4'-P-C4' energy: -65.233 flat angles P-C4'-P energy: -45.417 tors. eta vs tors. theta energy: -67.295 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: 6 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -915.163969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.163969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.163969 (E_RNA) where: Base-Base interactions energy: -646.210 where: short stacking energy: -257.708 Base-Backbone interact. energy: -3.271 local terms energy: -265.682750 where: bonds (distance) C4'-P energy: -59.864 bonds (distance) P-C4' energy: -48.242 flat angles C4'-P-C4' energy: -58.082 flat angles P-C4'-P energy: -29.281 tors. eta vs tors. theta energy: -70.214 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: 3 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -760.764315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.764315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.764315 (E_RNA) where: Base-Base interactions energy: -525.892 where: short stacking energy: -211.237 Base-Backbone interact. energy: -0.957 local terms energy: -233.915936 where: bonds (distance) C4'-P energy: -54.625 bonds (distance) P-C4' energy: -52.010 flat angles C4'-P-C4' energy: -56.054 flat angles P-C4'-P energy: -28.191 tors. eta vs tors. theta energy: -43.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -812.159338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.159338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.159338 (E_RNA) where: Base-Base interactions energy: -550.578 where: short stacking energy: -238.714 Base-Backbone interact. energy: -1.094 local terms energy: -260.487351 where: bonds (distance) C4'-P energy: -54.315 bonds (distance) P-C4' energy: -54.931 flat angles C4'-P-C4' energy: -64.942 flat angles P-C4'-P energy: -24.043 tors. eta vs tors. theta energy: -62.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -498.111613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.111613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.111613 (E_RNA) where: Base-Base interactions energy: -300.515 where: short stacking energy: -161.440 Base-Backbone interact. energy: 0.902 local terms energy: -198.498894 where: bonds (distance) C4'-P energy: -55.752 bonds (distance) P-C4' energy: -53.289 flat angles C4'-P-C4' energy: -39.732 flat angles P-C4'-P energy: -29.871 tors. eta vs tors. theta energy: -19.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1178.386604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.386604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.386604 (E_RNA) where: Base-Base interactions energy: -818.978 where: short stacking energy: -358.678 Base-Backbone interact. energy: -1.429 local terms energy: -357.980034 where: bonds (distance) C4'-P energy: -65.329 bonds (distance) P-C4' energy: -69.731 flat angles C4'-P-C4' energy: -68.701 flat angles P-C4'-P energy: -48.446 tors. eta vs tors. theta energy: -105.773 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: 1 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1122.075127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.075127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.075127 (E_RNA) where: Base-Base interactions energy: -804.681 where: short stacking energy: -328.409 Base-Backbone interact. energy: -2.548 local terms energy: -314.845569 where: bonds (distance) C4'-P energy: -47.662 bonds (distance) P-C4' energy: -60.611 flat angles C4'-P-C4' energy: -72.924 flat angles P-C4'-P energy: -47.344 tors. eta vs tors. theta energy: -86.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1145.815608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.815608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.815608 (E_RNA) where: Base-Base interactions energy: -807.719 where: short stacking energy: -333.534 Base-Backbone interact. energy: -1.118 local terms energy: -336.978331 where: bonds (distance) C4'-P energy: -67.101 bonds (distance) P-C4' energy: -71.490 flat angles C4'-P-C4' energy: -69.637 flat angles P-C4'-P energy: -43.404 tors. eta vs tors. theta energy: -85.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1048.743046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.743046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.743046 (E_RNA) where: Base-Base interactions energy: -721.866 where: short stacking energy: -313.437 Base-Backbone interact. energy: -1.853 local terms energy: -325.024536 where: bonds (distance) C4'-P energy: -59.178 bonds (distance) P-C4' energy: -60.661 flat angles C4'-P-C4' energy: -71.347 flat angles P-C4'-P energy: -43.776 tors. eta vs tors. theta energy: -90.062 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: 9 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -976.284656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.284656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.284656 (E_RNA) where: Base-Base interactions energy: -675.827 where: short stacking energy: -293.710 Base-Backbone interact. energy: -0.744 local terms energy: -299.714441 where: bonds (distance) C4'-P energy: -57.038 bonds (distance) P-C4' energy: -63.532 flat angles C4'-P-C4' energy: -61.764 flat angles P-C4'-P energy: -48.575 tors. eta vs tors. theta energy: -68.805 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: 6, replica: 8 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -911.991212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.991212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.991212 (E_RNA) where: Base-Base interactions energy: -644.858 where: short stacking energy: -281.509 Base-Backbone interact. energy: -1.031 local terms energy: -266.102219 where: bonds (distance) C4'-P energy: -57.227 bonds (distance) P-C4' energy: -59.776 flat angles C4'-P-C4' energy: -63.099 flat angles P-C4'-P energy: -24.019 tors. eta vs tors. theta energy: -61.981 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: 6 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -915.451162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.451162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.451162 (E_RNA) where: Base-Base interactions energy: -651.513 where: short stacking energy: -251.430 Base-Backbone interact. energy: 0.537 local terms energy: -264.474652 where: bonds (distance) C4'-P energy: -52.233 bonds (distance) P-C4' energy: -58.507 flat angles C4'-P-C4' energy: -55.271 flat angles P-C4'-P energy: -39.275 tors. eta vs tors. theta energy: -59.188 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: 7 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -821.732949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.732949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.732949 (E_RNA) where: Base-Base interactions energy: -554.834 where: short stacking energy: -259.791 Base-Backbone interact. energy: -0.830 local terms energy: -266.068666 where: bonds (distance) C4'-P energy: -52.145 bonds (distance) P-C4' energy: -55.898 flat angles C4'-P-C4' energy: -50.689 flat angles P-C4'-P energy: -39.973 tors. eta vs tors. theta energy: -67.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -694.941966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.941966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.941966 (E_RNA) where: Base-Base interactions energy: -493.938 where: short stacking energy: -209.095 Base-Backbone interact. energy: -0.508 local terms energy: -200.495779 where: bonds (distance) C4'-P energy: -41.290 bonds (distance) P-C4' energy: -48.899 flat angles C4'-P-C4' energy: -54.333 flat angles P-C4'-P energy: -24.968 tors. eta vs tors. theta energy: -31.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -559.029089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.029089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.029089 (E_RNA) where: Base-Base interactions energy: -352.313 where: short stacking energy: -157.813 Base-Backbone interact. energy: 1.446 local terms energy: -208.161665 where: bonds (distance) C4'-P energy: -51.705 bonds (distance) P-C4' energy: -53.358 flat angles C4'-P-C4' energy: -45.129 flat angles P-C4'-P energy: -32.802 tors. eta vs tors. theta energy: -25.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1188.373956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.373956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.373956 (E_RNA) where: Base-Base interactions energy: -851.019 where: short stacking energy: -347.028 Base-Backbone interact. energy: -1.563 local terms energy: -335.791721 where: bonds (distance) C4'-P energy: -58.646 bonds (distance) P-C4' energy: -61.498 flat angles C4'-P-C4' energy: -72.754 flat angles P-C4'-P energy: -50.747 tors. eta vs tors. theta energy: -92.147 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: 282 Temperature: 0.950000 Total energy: -1162.325850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.325850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.325850 (E_RNA) where: Base-Base interactions energy: -805.530 where: short stacking energy: -350.490 Base-Backbone interact. energy: -0.816 local terms energy: -355.980351 where: bonds (distance) C4'-P energy: -68.978 bonds (distance) P-C4' energy: -66.567 flat angles C4'-P-C4' energy: -68.872 flat angles P-C4'-P energy: -46.740 tors. eta vs tors. theta energy: -104.823 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: 10 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1130.770245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.770245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.770245 (E_RNA) where: Base-Base interactions energy: -798.533 where: short stacking energy: -341.574 Base-Backbone interact. energy: -1.333 local terms energy: -330.904314 where: bonds (distance) C4'-P energy: -71.651 bonds (distance) P-C4' energy: -58.075 flat angles C4'-P-C4' energy: -66.365 flat angles P-C4'-P energy: -44.289 tors. eta vs tors. theta energy: -90.524 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: 5 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1044.427123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.427123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.427123 (E_RNA) where: Base-Base interactions energy: -720.293 where: short stacking energy: -320.496 Base-Backbone interact. energy: -2.253 local terms energy: -321.881074 where: bonds (distance) C4'-P energy: -59.111 bonds (distance) P-C4' energy: -67.654 flat angles C4'-P-C4' energy: -60.007 flat angles P-C4'-P energy: -46.226 tors. eta vs tors. theta energy: -88.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -957.135019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.135019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.135019 (E_RNA) where: Base-Base interactions energy: -659.502 where: short stacking energy: -294.766 Base-Backbone interact. energy: -0.623 local terms energy: -297.010772 where: bonds (distance) C4'-P energy: -55.480 bonds (distance) P-C4' energy: -64.584 flat angles C4'-P-C4' energy: -54.590 flat angles P-C4'-P energy: -45.764 tors. eta vs tors. theta energy: -76.593 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: 8 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -942.335700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.335700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.335700 (E_RNA) where: Base-Base interactions energy: -650.124 where: short stacking energy: -287.386 Base-Backbone interact. energy: -0.241 local terms energy: -291.970756 where: bonds (distance) C4'-P energy: -58.580 bonds (distance) P-C4' energy: -50.934 flat angles C4'-P-C4' energy: -67.427 flat angles P-C4'-P energy: -43.564 tors. eta vs tors. theta energy: -71.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -904.021576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.021576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.021576 (E_RNA) where: Base-Base interactions energy: -652.042 where: short stacking energy: -259.203 Base-Backbone interact. energy: 1.930 local terms energy: -253.909345 where: bonds (distance) C4'-P energy: -44.926 bonds (distance) P-C4' energy: -51.112 flat angles C4'-P-C4' energy: -58.756 flat angles P-C4'-P energy: -45.340 tors. eta vs tors. theta energy: -53.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -810.289383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.289383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.289383 (E_RNA) where: Base-Base interactions energy: -550.139 where: short stacking energy: -250.672 Base-Backbone interact. energy: -0.581 local terms energy: -259.569568 where: bonds (distance) C4'-P energy: -56.510 bonds (distance) P-C4' energy: -58.159 flat angles C4'-P-C4' energy: -54.890 flat angles P-C4'-P energy: -35.967 tors. eta vs tors. theta energy: -54.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -683.422719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.422719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.422719 (E_RNA) where: Base-Base interactions energy: -453.754 where: short stacking energy: -196.459 Base-Backbone interact. energy: 0.334 local terms energy: -230.002798 where: bonds (distance) C4'-P energy: -59.316 bonds (distance) P-C4' energy: -62.774 flat angles C4'-P-C4' energy: -47.104 flat angles P-C4'-P energy: -29.265 tors. eta vs tors. theta energy: -31.544 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: 2 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -547.154539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.154539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.154539 (E_RNA) where: Base-Base interactions energy: -334.047 where: short stacking energy: -154.382 Base-Backbone interact. energy: -0.605 local terms energy: -212.501800 where: bonds (distance) C4'-P energy: -54.309 bonds (distance) P-C4' energy: -58.433 flat angles C4'-P-C4' energy: -53.893 flat angles P-C4'-P energy: -24.247 tors. eta vs tors. theta energy: -21.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1179.632721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.632721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.632721 (E_RNA) where: Base-Base interactions energy: -839.851 where: short stacking energy: -341.228 Base-Backbone interact. energy: 0.926 local terms energy: -340.706896 where: bonds (distance) C4'-P energy: -74.395 bonds (distance) P-C4' energy: -61.978 flat angles C4'-P-C4' energy: -72.025 flat angles P-C4'-P energy: -44.979 tors. eta vs tors. theta energy: -87.331 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: 4 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1144.220416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.220416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.220416 (E_RNA) where: Base-Base interactions energy: -795.859 where: short stacking energy: -338.877 Base-Backbone interact. energy: -1.408 local terms energy: -346.953310 where: bonds (distance) C4'-P energy: -72.759 bonds (distance) P-C4' energy: -59.931 flat angles C4'-P-C4' energy: -66.268 flat angles P-C4'-P energy: -47.993 tors. eta vs tors. theta energy: -100.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1133.689178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.689178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.689178 (E_RNA) where: Base-Base interactions energy: -809.316 where: short stacking energy: -331.973 Base-Backbone interact. energy: -0.996 local terms energy: -323.377145 where: bonds (distance) C4'-P energy: -58.273 bonds (distance) P-C4' energy: -56.753 flat angles C4'-P-C4' energy: -80.978 flat angles P-C4'-P energy: -39.365 tors. eta vs tors. theta energy: -88.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1028.203730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.203730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.203730 (E_RNA) where: Base-Base interactions energy: -723.292 where: short stacking energy: -302.102 Base-Backbone interact. energy: -0.354 local terms energy: -304.557972 where: bonds (distance) C4'-P energy: -56.884 bonds (distance) P-C4' energy: -54.987 flat angles C4'-P-C4' energy: -65.502 flat angles P-C4'-P energy: -46.714 tors. eta vs tors. theta energy: -80.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -929.149592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.149592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.149592 (E_RNA) where: Base-Base interactions energy: -631.596 where: short stacking energy: -268.335 Base-Backbone interact. energy: -0.543 local terms energy: -297.009825 where: bonds (distance) C4'-P energy: -56.443 bonds (distance) P-C4' energy: -55.668 flat angles C4'-P-C4' energy: -70.117 flat angles P-C4'-P energy: -41.216 tors. eta vs tors. theta energy: -73.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -945.563788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.563788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.563788 (E_RNA) where: Base-Base interactions energy: -647.222 where: short stacking energy: -273.229 Base-Backbone interact. energy: -1.082 local terms energy: -297.259766 where: bonds (distance) C4'-P energy: -55.415 bonds (distance) P-C4' energy: -66.801 flat angles C4'-P-C4' energy: -64.564 flat angles P-C4'-P energy: -41.810 tors. eta vs tors. theta energy: -68.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -871.098317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.098317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.098317 (E_RNA) where: Base-Base interactions energy: -613.764 where: short stacking energy: -242.279 Base-Backbone interact. energy: 4.298 local terms energy: -261.632694 where: bonds (distance) C4'-P energy: -42.750 bonds (distance) P-C4' energy: -68.537 flat angles C4'-P-C4' energy: -63.086 flat angles P-C4'-P energy: -34.481 tors. eta vs tors. theta energy: -52.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -702.217971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.217971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.217971 (E_RNA) where: Base-Base interactions energy: -461.522 where: short stacking energy: -200.201 Base-Backbone interact. energy: -1.491 local terms energy: -239.205379 where: bonds (distance) C4'-P energy: -59.931 bonds (distance) P-C4' energy: -58.677 flat angles C4'-P-C4' energy: -65.674 flat angles P-C4'-P energy: -23.726 tors. eta vs tors. theta energy: -31.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -761.805529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.805529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.805529 (E_RNA) where: Base-Base interactions energy: -516.377 where: short stacking energy: -224.529 Base-Backbone interact. energy: -2.310 local terms energy: -243.118516 where: bonds (distance) C4'-P energy: -51.762 bonds (distance) P-C4' energy: -50.843 flat angles C4'-P-C4' energy: -47.875 flat angles P-C4'-P energy: -53.638 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: 10, replica: 2 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -512.948472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.948472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.948472 (E_RNA) where: Base-Base interactions energy: -302.117 where: short stacking energy: -154.053 Base-Backbone interact. energy: 0.467 local terms energy: -211.298314 where: bonds (distance) C4'-P energy: -41.113 bonds (distance) P-C4' energy: -57.948 flat angles C4'-P-C4' energy: -57.721 flat angles P-C4'-P energy: -34.351 tors. eta vs tors. theta energy: -20.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1174.436930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.436930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.436930 (E_RNA) where: Base-Base interactions energy: -834.287 where: short stacking energy: -341.090 Base-Backbone interact. energy: -1.113 local terms energy: -339.037453 where: bonds (distance) C4'-P energy: -67.413 bonds (distance) P-C4' energy: -70.384 flat angles C4'-P-C4' energy: -74.323 flat angles P-C4'-P energy: -42.581 tors. eta vs tors. theta energy: -84.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1146.362459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.362459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.362459 (E_RNA) where: Base-Base interactions energy: -812.736 where: short stacking energy: -362.786 Base-Backbone interact. energy: -1.209 local terms energy: -332.417814 where: bonds (distance) C4'-P energy: -52.966 bonds (distance) P-C4' energy: -57.893 flat angles C4'-P-C4' energy: -73.096 flat angles P-C4'-P energy: -44.754 tors. eta vs tors. theta energy: -103.709 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: 10 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1140.571286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.571286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.571286 (E_RNA) where: Base-Base interactions energy: -798.049 where: short stacking energy: -337.462 Base-Backbone interact. energy: -1.821 local terms energy: -340.701347 where: bonds (distance) C4'-P energy: -60.903 bonds (distance) P-C4' energy: -64.484 flat angles C4'-P-C4' energy: -74.495 flat angles P-C4'-P energy: -55.002 tors. eta vs tors. theta energy: -85.818 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: 5 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1037.850815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.850815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.850815 (E_RNA) where: Base-Base interactions energy: -725.810 where: short stacking energy: -315.772 Base-Backbone interact. energy: 1.995 local terms energy: -314.036106 where: bonds (distance) C4'-P energy: -60.511 bonds (distance) P-C4' energy: -61.816 flat angles C4'-P-C4' energy: -63.087 flat angles P-C4'-P energy: -51.577 tors. eta vs tors. theta energy: -77.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -961.427301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.427301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.427301 (E_RNA) where: Base-Base interactions energy: -658.676 where: short stacking energy: -272.386 Base-Backbone interact. energy: -0.437 local terms energy: -302.313961 where: bonds (distance) C4'-P energy: -61.211 bonds (distance) P-C4' energy: -57.376 flat angles C4'-P-C4' energy: -63.457 flat angles P-C4'-P energy: -44.601 tors. eta vs tors. theta energy: -75.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -911.141245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.141245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.141245 (E_RNA) where: Base-Base interactions energy: -629.048 where: short stacking energy: -274.833 Base-Backbone interact. energy: -0.653 local terms energy: -281.440688 where: bonds (distance) C4'-P energy: -54.584 bonds (distance) P-C4' energy: -60.080 flat angles C4'-P-C4' energy: -69.122 flat angles P-C4'-P energy: -37.630 tors. eta vs tors. theta energy: -60.025 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: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -852.333922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.333922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.333922 (E_RNA) where: Base-Base interactions energy: -586.334 where: short stacking energy: -243.132 Base-Backbone interact. energy: -2.422 local terms energy: -263.577954 where: bonds (distance) C4'-P energy: -49.105 bonds (distance) P-C4' energy: -68.444 flat angles C4'-P-C4' energy: -65.323 flat angles P-C4'-P energy: -36.540 tors. eta vs tors. theta energy: -44.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -758.478882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.478882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.478882 (E_RNA) where: Base-Base interactions energy: -501.089 where: short stacking energy: -248.266 Base-Backbone interact. energy: -0.379 local terms energy: -257.011381 where: bonds (distance) C4'-P energy: -49.747 bonds (distance) P-C4' energy: -54.541 flat angles C4'-P-C4' energy: -65.081 flat angles P-C4'-P energy: -33.948 tors. eta vs tors. theta energy: -53.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -782.873686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.873686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.873686 (E_RNA) where: Base-Base interactions energy: -550.088 where: short stacking energy: -230.549 Base-Backbone interact. energy: 0.625 local terms energy: -233.410106 where: bonds (distance) C4'-P energy: -41.954 bonds (distance) P-C4' energy: -43.841 flat angles C4'-P-C4' energy: -57.101 flat angles P-C4'-P energy: -32.273 tors. eta vs tors. theta energy: -58.241 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: 2 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -536.382320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.382320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.382320 (E_RNA) where: Base-Base interactions energy: -339.930 where: short stacking energy: -165.491 Base-Backbone interact. energy: -1.001 local terms energy: -195.451462 where: bonds (distance) C4'-P energy: -44.019 bonds (distance) P-C4' energy: -46.953 flat angles C4'-P-C4' energy: -49.030 flat angles P-C4'-P energy: -25.751 tors. eta vs tors. theta energy: -29.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1139.477108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.477108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.477108 (E_RNA) where: Base-Base interactions energy: -806.238 where: short stacking energy: -314.586 Base-Backbone interact. energy: -2.341 local terms energy: -330.898366 where: bonds (distance) C4'-P energy: -54.631 bonds (distance) P-C4' energy: -72.916 flat angles C4'-P-C4' energy: -76.651 flat angles P-C4'-P energy: -43.540 tors. eta vs tors. theta energy: -83.160 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: 2, replica: 4 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1139.980768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.980768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.980768 (E_RNA) where: Base-Base interactions energy: -794.104 where: short stacking energy: -346.829 Base-Backbone interact. energy: -0.748 local terms energy: -345.128529 where: bonds (distance) C4'-P energy: -55.774 bonds (distance) P-C4' energy: -58.680 flat angles C4'-P-C4' energy: -74.447 flat angles P-C4'-P energy: -56.542 tors. eta vs tors. theta energy: -99.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1117.335915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.335915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.335915 (E_RNA) where: Base-Base interactions energy: -790.564 where: short stacking energy: -325.316 Base-Backbone interact. energy: -1.027 local terms energy: -325.745623 where: bonds (distance) C4'-P energy: -65.646 bonds (distance) P-C4' energy: -56.881 flat angles C4'-P-C4' energy: -68.043 flat angles P-C4'-P energy: -48.374 tors. eta vs tors. theta energy: -86.801 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: 5 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1026.041380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.041380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.041380 (E_RNA) where: Base-Base interactions energy: -727.007 where: short stacking energy: -316.224 Base-Backbone interact. energy: 1.789 local terms energy: -300.823914 where: bonds (distance) C4'-P energy: -49.493 bonds (distance) P-C4' energy: -62.088 flat angles C4'-P-C4' energy: -64.123 flat angles P-C4'-P energy: -42.587 tors. eta vs tors. theta energy: -82.533 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: 8 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -967.728993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.728993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.728993 (E_RNA) where: Base-Base interactions energy: -681.863 where: short stacking energy: -293.242 Base-Backbone interact. energy: -0.284 local terms energy: -285.581430 where: bonds (distance) C4'-P energy: -55.418 bonds (distance) P-C4' energy: -52.019 flat angles C4'-P-C4' energy: -59.742 flat angles P-C4'-P energy: -41.135 tors. eta vs tors. theta energy: -77.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -918.366797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.366797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.366797 (E_RNA) where: Base-Base interactions energy: -658.654 where: short stacking energy: -277.616 Base-Backbone interact. energy: -0.765 local terms energy: -258.947324 where: bonds (distance) C4'-P energy: -57.256 bonds (distance) P-C4' energy: -54.484 flat angles C4'-P-C4' energy: -50.880 flat angles P-C4'-P energy: -35.281 tors. eta vs tors. theta energy: -61.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -866.158004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.158004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.158004 (E_RNA) where: Base-Base interactions energy: -609.662 where: short stacking energy: -247.211 Base-Backbone interact. energy: -0.273 local terms energy: -256.223576 where: bonds (distance) C4'-P energy: -53.093 bonds (distance) P-C4' energy: -58.923 flat angles C4'-P-C4' energy: -58.618 flat angles P-C4'-P energy: -28.491 tors. eta vs tors. theta energy: -57.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -810.065607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.065607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.065607 (E_RNA) where: Base-Base interactions energy: -552.500 where: short stacking energy: -264.070 Base-Backbone interact. energy: -1.177 local terms energy: -256.388845 where: bonds (distance) C4'-P energy: -55.337 bonds (distance) P-C4' energy: -57.092 flat angles C4'-P-C4' energy: -59.394 flat angles P-C4'-P energy: -21.445 tors. eta vs tors. theta energy: -63.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -706.293085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.293085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.293085 (E_RNA) where: Base-Base interactions energy: -473.505 where: short stacking energy: -201.981 Base-Backbone interact. energy: -2.116 local terms energy: -230.671627 where: bonds (distance) C4'-P energy: -50.723 bonds (distance) P-C4' energy: -59.700 flat angles C4'-P-C4' energy: -52.588 flat angles P-C4'-P energy: -23.385 tors. eta vs tors. theta energy: -44.275 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: 2 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -543.715285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.715285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.715285 (E_RNA) where: Base-Base interactions energy: -329.086 where: short stacking energy: -162.816 Base-Backbone interact. energy: 1.105 local terms energy: -215.734792 where: bonds (distance) C4'-P energy: -60.419 bonds (distance) P-C4' energy: -43.475 flat angles C4'-P-C4' energy: -61.568 flat angles P-C4'-P energy: -31.415 tors. eta vs tors. theta energy: -18.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1181.241277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.241277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.241277 (E_RNA) where: Base-Base interactions energy: -819.831 where: short stacking energy: -369.220 Base-Backbone interact. energy: -1.479 local terms energy: -359.930572 where: bonds (distance) C4'-P energy: -59.603 bonds (distance) P-C4' energy: -67.054 flat angles C4'-P-C4' energy: -74.402 flat angles P-C4'-P energy: -53.372 tors. eta vs tors. theta energy: -105.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1133.885453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.885453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.885453 (E_RNA) where: Base-Base interactions energy: -813.752 where: short stacking energy: -326.028 Base-Backbone interact. energy: -0.031 local terms energy: -320.103181 where: bonds (distance) C4'-P energy: -63.018 bonds (distance) P-C4' energy: -60.067 flat angles C4'-P-C4' energy: -76.643 flat angles P-C4'-P energy: -34.877 tors. eta vs tors. theta energy: -85.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1139.207081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.207081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.207081 (E_RNA) where: Base-Base interactions energy: -815.404 where: short stacking energy: -333.774 Base-Backbone interact. energy: -3.006 local terms energy: -320.797059 where: bonds (distance) C4'-P energy: -49.272 bonds (distance) P-C4' energy: -63.704 flat angles C4'-P-C4' energy: -74.284 flat angles P-C4'-P energy: -49.986 tors. eta vs tors. theta energy: -83.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1008.878934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.878934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.878934 (E_RNA) where: Base-Base interactions energy: -707.352 where: short stacking energy: -312.085 Base-Backbone interact. energy: -0.428 local terms energy: -301.098330 where: bonds (distance) C4'-P energy: -57.503 bonds (distance) P-C4' energy: -54.313 flat angles C4'-P-C4' energy: -69.136 flat angles P-C4'-P energy: -45.118 tors. eta vs tors. theta energy: -75.029 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: 5, replica: 8 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -979.153730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.153730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.153730 (E_RNA) where: Base-Base interactions energy: -666.603 where: short stacking energy: -294.160 Base-Backbone interact. energy: -1.706 local terms energy: -310.844770 where: bonds (distance) C4'-P energy: -59.522 bonds (distance) P-C4' energy: -62.512 flat angles C4'-P-C4' energy: -65.324 flat angles P-C4'-P energy: -48.934 tors. eta vs tors. theta energy: -74.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -913.213932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.213932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.213932 (E_RNA) where: Base-Base interactions energy: -647.742 where: short stacking energy: -265.673 Base-Backbone interact. energy: -2.211 local terms energy: -263.261158 where: bonds (distance) C4'-P energy: -51.099 bonds (distance) P-C4' energy: -50.146 flat angles C4'-P-C4' energy: -62.919 flat angles P-C4'-P energy: -37.208 tors. eta vs tors. theta energy: -61.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -843.790263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.790263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.790263 (E_RNA) where: Base-Base interactions energy: -584.513 where: short stacking energy: -226.339 Base-Backbone interact. energy: -2.458 local terms energy: -256.819818 where: bonds (distance) C4'-P energy: -65.566 bonds (distance) P-C4' energy: -59.300 flat angles C4'-P-C4' energy: -56.428 flat angles P-C4'-P energy: -26.652 tors. eta vs tors. theta energy: -48.875 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: 7 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -829.679658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.679658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.679658 (E_RNA) where: Base-Base interactions energy: -576.307 where: short stacking energy: -246.478 Base-Backbone interact. energy: -3.167 local terms energy: -250.206383 where: bonds (distance) C4'-P energy: -51.360 bonds (distance) P-C4' energy: -51.868 flat angles C4'-P-C4' energy: -56.340 flat angles P-C4'-P energy: -35.429 tors. eta vs tors. theta energy: -55.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -697.499115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.499115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.499115 (E_RNA) where: Base-Base interactions energy: -465.279 where: short stacking energy: -188.999 Base-Backbone interact. energy: -1.667 local terms energy: -230.553031 where: bonds (distance) C4'-P energy: -52.012 bonds (distance) P-C4' energy: -50.734 flat angles C4'-P-C4' energy: -47.857 flat angles P-C4'-P energy: -40.569 tors. eta vs tors. theta energy: -39.381 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: 2 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -550.182901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.182901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.182901 (E_RNA) where: Base-Base interactions energy: -342.722 where: short stacking energy: -167.423 Base-Backbone interact. energy: 0.066 local terms energy: -207.526661 where: bonds (distance) C4'-P energy: -49.396 bonds (distance) P-C4' energy: -45.225 flat angles C4'-P-C4' energy: -47.193 flat angles P-C4'-P energy: -35.330 tors. eta vs tors. theta energy: -30.383 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: 4 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1162.189876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.189876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.189876 (E_RNA) where: Base-Base interactions energy: -789.491 where: short stacking energy: -367.173 Base-Backbone interact. energy: -0.497 local terms energy: -372.202069 where: bonds (distance) C4'-P energy: -70.221 bonds (distance) P-C4' energy: -73.849 flat angles C4'-P-C4' energy: -72.984 flat angles P-C4'-P energy: -47.514 tors. eta vs tors. theta energy: -107.634 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: 10 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1170.964177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.964177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.964177 (E_RNA) where: Base-Base interactions energy: -835.993 where: short stacking energy: -360.137 Base-Backbone interact. energy: 0.762 local terms energy: -335.733350 where: bonds (distance) C4'-P energy: -62.538 bonds (distance) P-C4' energy: -57.527 flat angles C4'-P-C4' energy: -69.683 flat angles P-C4'-P energy: -51.515 tors. eta vs tors. theta energy: -94.471 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: 3, replica: 1 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1109.704751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.704751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.704751 (E_RNA) where: Base-Base interactions energy: -783.255 where: short stacking energy: -322.201 Base-Backbone interact. energy: -1.364 local terms energy: -325.086071 where: bonds (distance) C4'-P energy: -53.121 bonds (distance) P-C4' energy: -68.207 flat angles C4'-P-C4' energy: -70.387 flat angles P-C4'-P energy: -50.210 tors. eta vs tors. theta energy: -83.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1060.081609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.081609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.081609 (E_RNA) where: Base-Base interactions energy: -740.997 where: short stacking energy: -321.209 Base-Backbone interact. energy: -0.929 local terms energy: -318.155583 where: bonds (distance) C4'-P energy: -55.442 bonds (distance) P-C4' energy: -65.295 flat angles C4'-P-C4' energy: -64.069 flat angles P-C4'-P energy: -46.336 tors. eta vs tors. theta energy: -87.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -946.726162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.726162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.726162 (E_RNA) where: Base-Base interactions energy: -661.089 where: short stacking energy: -283.188 Base-Backbone interact. energy: -1.008 local terms energy: -284.628682 where: bonds (distance) C4'-P energy: -56.056 bonds (distance) P-C4' energy: -66.553 flat angles C4'-P-C4' energy: -56.142 flat angles P-C4'-P energy: -42.992 tors. eta vs tors. theta energy: -62.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -908.968623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.968623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.968623 (E_RNA) where: Base-Base interactions energy: -623.358 where: short stacking energy: -264.042 Base-Backbone interact. energy: -1.124 local terms energy: -284.486935 where: bonds (distance) C4'-P energy: -54.276 bonds (distance) P-C4' energy: -54.674 flat angles C4'-P-C4' energy: -61.589 flat angles P-C4'-P energy: -50.209 tors. eta vs tors. theta energy: -63.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -831.538168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.538168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.538168 (E_RNA) where: Base-Base interactions energy: -578.873 where: short stacking energy: -237.638 Base-Backbone interact. energy: -2.232 local terms energy: -250.433866 where: bonds (distance) C4'-P energy: -52.689 bonds (distance) P-C4' energy: -54.483 flat angles C4'-P-C4' energy: -63.433 flat angles P-C4'-P energy: -28.234 tors. eta vs tors. theta energy: -51.595 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: 7 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -850.571869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.571869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.571869 (E_RNA) where: Base-Base interactions energy: -587.816 where: short stacking energy: -270.384 Base-Backbone interact. energy: -0.071 local terms energy: -262.684743 where: bonds (distance) C4'-P energy: -57.344 bonds (distance) P-C4' energy: -42.551 flat angles C4'-P-C4' energy: -59.770 flat angles P-C4'-P energy: -39.564 tors. eta vs tors. theta energy: -63.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -702.705980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.705980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.705980 (E_RNA) where: Base-Base interactions energy: -466.372 where: short stacking energy: -194.569 Base-Backbone interact. energy: -2.491 local terms energy: -233.843176 where: bonds (distance) C4'-P energy: -41.885 bonds (distance) P-C4' energy: -55.763 flat angles C4'-P-C4' energy: -54.783 flat angles P-C4'-P energy: -41.088 tors. eta vs tors. theta energy: -40.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -577.563801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.563801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.563801 (E_RNA) where: Base-Base interactions energy: -362.942 where: short stacking energy: -157.193 Base-Backbone interact. energy: 0.483 local terms energy: -215.104393 where: bonds (distance) C4'-P energy: -51.784 bonds (distance) P-C4' energy: -57.255 flat angles C4'-P-C4' energy: -47.026 flat angles P-C4'-P energy: -29.660 tors. eta vs tors. theta energy: -29.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1176.055872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.055872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.055872 (E_RNA) where: Base-Base interactions energy: -828.030 where: short stacking energy: -355.195 Base-Backbone interact. energy: -0.659 local terms energy: -347.366036 where: bonds (distance) C4'-P energy: -62.914 bonds (distance) P-C4' energy: -70.740 flat angles C4'-P-C4' energy: -72.961 flat angles P-C4'-P energy: -50.891 tors. eta vs tors. theta energy: -89.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1153.764462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.764462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.764462 (E_RNA) where: Base-Base interactions energy: -783.150 where: short stacking energy: -354.298 Base-Backbone interact. energy: -0.044 local terms energy: -370.570642 where: bonds (distance) C4'-P energy: -71.028 bonds (distance) P-C4' energy: -68.535 flat angles C4'-P-C4' energy: -71.273 flat angles P-C4'-P energy: -50.485 tors. eta vs tors. theta energy: -109.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1104.284316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.284316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.284316 (E_RNA) where: Base-Base interactions energy: -783.553 where: short stacking energy: -317.018 Base-Backbone interact. energy: -0.932 local terms energy: -319.799337 where: bonds (distance) C4'-P energy: -64.870 bonds (distance) P-C4' energy: -62.316 flat angles C4'-P-C4' energy: -69.263 flat angles P-C4'-P energy: -42.781 tors. eta vs tors. theta energy: -80.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1032.176189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.176189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.176189 (E_RNA) where: Base-Base interactions energy: -740.004 where: short stacking energy: -311.716 Base-Backbone interact. energy: 1.265 local terms energy: -293.436764 where: bonds (distance) C4'-P energy: -50.082 bonds (distance) P-C4' energy: -61.328 flat angles C4'-P-C4' energy: -61.524 flat angles P-C4'-P energy: -47.801 tors. eta vs tors. theta energy: -72.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -957.546798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.546798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.546798 (E_RNA) where: Base-Base interactions energy: -656.561 where: short stacking energy: -290.437 Base-Backbone interact. energy: -0.962 local terms energy: -300.023225 where: bonds (distance) C4'-P energy: -63.374 bonds (distance) P-C4' energy: -54.929 flat angles C4'-P-C4' energy: -60.507 flat angles P-C4'-P energy: -44.515 tors. eta vs tors. theta energy: -76.698 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: 9 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -930.601044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.601044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.601044 (E_RNA) where: Base-Base interactions energy: -641.527 where: short stacking energy: -260.925 Base-Backbone interact. energy: -0.592 local terms energy: -288.481579 where: bonds (distance) C4'-P energy: -49.205 bonds (distance) P-C4' energy: -61.136 flat angles C4'-P-C4' energy: -68.986 flat angles P-C4'-P energy: -45.350 tors. eta vs tors. theta energy: -63.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -823.026795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.026795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.026795 (E_RNA) where: Base-Base interactions energy: -568.031 where: short stacking energy: -246.609 Base-Backbone interact. energy: -0.736 local terms energy: -254.260258 where: bonds (distance) C4'-P energy: -53.419 bonds (distance) P-C4' energy: -55.294 flat angles C4'-P-C4' energy: -66.911 flat angles P-C4'-P energy: -25.646 tors. eta vs tors. theta energy: -52.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -829.606284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.606284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.606284 (E_RNA) where: Base-Base interactions energy: -577.567 where: short stacking energy: -249.128 Base-Backbone interact. energy: -0.038 local terms energy: -252.001724 where: bonds (distance) C4'-P energy: -44.193 bonds (distance) P-C4' energy: -53.428 flat angles C4'-P-C4' energy: -62.336 flat angles P-C4'-P energy: -37.580 tors. eta vs tors. theta energy: -54.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -711.910995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.910995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.910995 (E_RNA) where: Base-Base interactions energy: -468.092 where: short stacking energy: -203.426 Base-Backbone interact. energy: -1.860 local terms energy: -241.958364 where: bonds (distance) C4'-P energy: -30.737 bonds (distance) P-C4' energy: -56.499 flat angles C4'-P-C4' energy: -71.516 flat angles P-C4'-P energy: -34.458 tors. eta vs tors. theta energy: -48.749 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: 10, replica: 2 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -637.939992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.939992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.939992 (E_RNA) where: Base-Base interactions energy: -413.501 where: short stacking energy: -182.507 Base-Backbone interact. energy: -1.982 local terms energy: -222.457194 where: bonds (distance) C4'-P energy: -55.786 bonds (distance) P-C4' energy: -54.816 flat angles C4'-P-C4' energy: -47.033 flat angles P-C4'-P energy: -20.748 tors. eta vs tors. theta energy: -44.073 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: 1, replica: 10 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1187.001043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.001043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.001043 (E_RNA) where: Base-Base interactions energy: -857.925 where: short stacking energy: -351.408 Base-Backbone interact. energy: -2.471 local terms energy: -326.605455 where: bonds (distance) C4'-P energy: -52.492 bonds (distance) P-C4' energy: -67.350 flat angles C4'-P-C4' energy: -68.388 flat angles P-C4'-P energy: -46.242 tors. eta vs tors. theta energy: -92.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1152.728566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.728566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.728566 (E_RNA) where: Base-Base interactions energy: -796.020 where: short stacking energy: -364.395 Base-Backbone interact. energy: -1.164 local terms energy: -355.544493 where: bonds (distance) C4'-P energy: -59.897 bonds (distance) P-C4' energy: -66.512 flat angles C4'-P-C4' energy: -70.801 flat angles P-C4'-P energy: -49.102 tors. eta vs tors. theta energy: -109.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1142.077371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.077371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.077371 (E_RNA) where: Base-Base interactions energy: -797.397 where: short stacking energy: -328.353 Base-Backbone interact. energy: -0.574 local terms energy: -344.106939 where: bonds (distance) C4'-P energy: -58.465 bonds (distance) P-C4' energy: -66.989 flat angles C4'-P-C4' energy: -75.109 flat angles P-C4'-P energy: -51.600 tors. eta vs tors. theta energy: -91.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1024.299367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.299367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.299367 (E_RNA) where: Base-Base interactions energy: -724.925 where: short stacking energy: -306.394 Base-Backbone interact. energy: -1.958 local terms energy: -297.416142 where: bonds (distance) C4'-P energy: -60.890 bonds (distance) P-C4' energy: -55.099 flat angles C4'-P-C4' energy: -60.224 flat angles P-C4'-P energy: -43.759 tors. eta vs tors. theta energy: -77.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -986.360639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.360639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.360639 (E_RNA) where: Base-Base interactions energy: -686.929 where: short stacking energy: -293.633 Base-Backbone interact. energy: 0.275 local terms energy: -299.707251 where: bonds (distance) C4'-P energy: -60.553 bonds (distance) P-C4' energy: -60.817 flat angles C4'-P-C4' energy: -67.859 flat angles P-C4'-P energy: -41.789 tors. eta vs tors. theta energy: -68.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -921.450156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.450156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.450156 (E_RNA) where: Base-Base interactions energy: -658.994 where: short stacking energy: -257.831 Base-Backbone interact. energy: -1.742 local terms energy: -260.713487 where: bonds (distance) C4'-P energy: -47.838 bonds (distance) P-C4' energy: -61.254 flat angles C4'-P-C4' energy: -58.253 flat angles P-C4'-P energy: -26.289 tors. eta vs tors. theta energy: -67.080 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: 6 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -884.252075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.252075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.252075 (E_RNA) where: Base-Base interactions energy: -615.821 where: short stacking energy: -255.640 Base-Backbone interact. energy: -0.861 local terms energy: -267.570618 where: bonds (distance) C4'-P energy: -54.760 bonds (distance) P-C4' energy: -59.773 flat angles C4'-P-C4' energy: -58.459 flat angles P-C4'-P energy: -37.639 tors. eta vs tors. theta energy: -56.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -836.888338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.888338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.888338 (E_RNA) where: Base-Base interactions energy: -584.914 where: short stacking energy: -264.274 Base-Backbone interact. energy: -2.432 local terms energy: -249.541827 where: bonds (distance) C4'-P energy: -42.810 bonds (distance) P-C4' energy: -51.176 flat angles C4'-P-C4' energy: -63.882 flat angles P-C4'-P energy: -29.888 tors. eta vs tors. theta energy: -61.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -621.790019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.790019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.790019 (E_RNA) where: Base-Base interactions energy: -393.885 where: short stacking energy: -171.297 Base-Backbone interact. energy: 3.687 local terms energy: -231.591725 where: bonds (distance) C4'-P energy: -60.290 bonds (distance) P-C4' energy: -43.970 flat angles C4'-P-C4' energy: -65.866 flat angles P-C4'-P energy: -37.655 tors. eta vs tors. theta energy: -23.811 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: 2 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -635.675214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.675214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.675214 (E_RNA) where: Base-Base interactions energy: -421.632 where: short stacking energy: -196.614 Base-Backbone interact. energy: -0.191 local terms energy: -213.852578 where: bonds (distance) C4'-P energy: -53.648 bonds (distance) P-C4' energy: -47.322 flat angles C4'-P-C4' energy: -51.813 flat angles P-C4'-P energy: -29.416 tors. eta vs tors. theta energy: -31.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1189.219470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.219470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.219470 (E_RNA) where: Base-Base interactions energy: -828.836 where: short stacking energy: -372.935 Base-Backbone interact. energy: -1.490 local terms energy: -358.893858 where: bonds (distance) C4'-P energy: -57.478 bonds (distance) P-C4' energy: -66.367 flat angles C4'-P-C4' energy: -79.531 flat angles P-C4'-P energy: -47.701 tors. eta vs tors. theta energy: -107.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1183.137384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.137384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.137384 (E_RNA) where: Base-Base interactions energy: -820.593 where: short stacking energy: -333.475 Base-Backbone interact. energy: -0.369 local terms energy: -362.175279 where: bonds (distance) C4'-P energy: -71.751 bonds (distance) P-C4' energy: -71.607 flat angles C4'-P-C4' energy: -76.624 flat angles P-C4'-P energy: -51.052 tors. eta vs tors. theta energy: -91.142 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: 1 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1124.087845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.087845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.087845 (E_RNA) where: Base-Base interactions energy: -794.619 where: short stacking energy: -321.052 Base-Backbone interact. energy: -2.962 local terms energy: -326.506869 where: bonds (distance) C4'-P energy: -62.781 bonds (distance) P-C4' energy: -63.260 flat angles C4'-P-C4' energy: -65.106 flat angles P-C4'-P energy: -48.710 tors. eta vs tors. theta energy: -86.649 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: 5 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1015.315031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.315031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.315031 (E_RNA) where: Base-Base interactions energy: -700.249 where: short stacking energy: -298.528 Base-Backbone interact. energy: 0.662 local terms energy: -315.727392 where: bonds (distance) C4'-P energy: -53.643 bonds (distance) P-C4' energy: -68.308 flat angles C4'-P-C4' energy: -69.884 flat angles P-C4'-P energy: -41.553 tors. eta vs tors. theta energy: -82.341 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: 9 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -930.574427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.574427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.574427 (E_RNA) where: Base-Base interactions energy: -657.601 where: short stacking energy: -272.996 Base-Backbone interact. energy: 0.755 local terms energy: -273.728402 where: bonds (distance) C4'-P energy: -51.564 bonds (distance) P-C4' energy: -46.173 flat angles C4'-P-C4' energy: -58.579 flat angles P-C4'-P energy: -54.982 tors. eta vs tors. theta energy: -62.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -974.445843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.445843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.445843 (E_RNA) where: Base-Base interactions energy: -676.527 where: short stacking energy: -280.939 Base-Backbone interact. energy: -0.842 local terms energy: -297.077631 where: bonds (distance) C4'-P energy: -56.743 bonds (distance) P-C4' energy: -62.750 flat angles C4'-P-C4' energy: -59.811 flat angles P-C4'-P energy: -48.503 tors. eta vs tors. theta energy: -69.270 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: 7 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -861.431330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.431330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.431330 (E_RNA) where: Base-Base interactions energy: -594.920 where: short stacking energy: -263.423 Base-Backbone interact. energy: 1.599 local terms energy: -268.110657 where: bonds (distance) C4'-P energy: -65.112 bonds (distance) P-C4' energy: -49.543 flat angles C4'-P-C4' energy: -59.737 flat angles P-C4'-P energy: -35.172 tors. eta vs tors. theta energy: -58.546 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: 6 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -812.922955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.922955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.922955 (E_RNA) where: Base-Base interactions energy: -556.815 where: short stacking energy: -237.819 Base-Backbone interact. energy: -1.509 local terms energy: -254.598981 where: bonds (distance) C4'-P energy: -51.862 bonds (distance) P-C4' energy: -57.214 flat angles C4'-P-C4' energy: -56.720 flat angles P-C4'-P energy: -36.242 tors. eta vs tors. theta energy: -52.561 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: 2 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -660.929239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.929239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.929239 (E_RNA) where: Base-Base interactions energy: -425.270 where: short stacking energy: -208.443 Base-Backbone interact. energy: -0.644 local terms energy: -235.014422 where: bonds (distance) C4'-P energy: -60.486 bonds (distance) P-C4' energy: -52.269 flat angles C4'-P-C4' energy: -48.189 flat angles P-C4'-P energy: -36.737 tors. eta vs tors. theta energy: -37.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -669.441709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.441709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.441709 (E_RNA) where: Base-Base interactions energy: -431.127 where: short stacking energy: -192.622 Base-Backbone interact. energy: 2.088 local terms energy: -240.402441 where: bonds (distance) C4'-P energy: -58.429 bonds (distance) P-C4' energy: -58.143 flat angles C4'-P-C4' energy: -49.502 flat angles P-C4'-P energy: -39.907 tors. eta vs tors. theta energy: -34.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1186.395665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.395665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.395665 (E_RNA) where: Base-Base interactions energy: -823.869 where: short stacking energy: -371.881 Base-Backbone interact. energy: -0.663 local terms energy: -361.863220 where: bonds (distance) C4'-P energy: -61.998 bonds (distance) P-C4' energy: -63.930 flat angles C4'-P-C4' energy: -76.984 flat angles P-C4'-P energy: -56.459 tors. eta vs tors. theta energy: -102.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1155.849901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.849901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.849901 (E_RNA) where: Base-Base interactions energy: -827.740 where: short stacking energy: -339.522 Base-Backbone interact. energy: -0.697 local terms energy: -327.412979 where: bonds (distance) C4'-P energy: -59.099 bonds (distance) P-C4' energy: -53.224 flat angles C4'-P-C4' energy: -73.108 flat angles P-C4'-P energy: -53.927 tors. eta vs tors. theta energy: -88.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1150.425631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.425631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.425631 (E_RNA) where: Base-Base interactions energy: -823.285 where: short stacking energy: -346.003 Base-Backbone interact. energy: -3.435 local terms energy: -323.705651 where: bonds (distance) C4'-P energy: -59.120 bonds (distance) P-C4' energy: -59.110 flat angles C4'-P-C4' energy: -63.284 flat angles P-C4'-P energy: -52.799 tors. eta vs tors. theta energy: -89.393 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: 5 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1038.204814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.204814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.204814 (E_RNA) where: Base-Base interactions energy: -721.985 where: short stacking energy: -315.417 Base-Backbone interact. energy: -1.360 local terms energy: -314.859932 where: bonds (distance) C4'-P energy: -63.903 bonds (distance) P-C4' energy: -52.728 flat angles C4'-P-C4' energy: -77.022 flat angles P-C4'-P energy: -39.695 tors. eta vs tors. theta energy: -81.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -946.310577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.310577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.310577 (E_RNA) where: Base-Base interactions energy: -644.145 where: short stacking energy: -278.720 Base-Backbone interact. energy: -0.647 local terms energy: -301.518814 where: bonds (distance) C4'-P energy: -55.316 bonds (distance) P-C4' energy: -63.289 flat angles C4'-P-C4' energy: -63.023 flat angles P-C4'-P energy: -46.241 tors. eta vs tors. theta energy: -73.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -934.608702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.608702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.608702 (E_RNA) where: Base-Base interactions energy: -655.928 where: short stacking energy: -259.965 Base-Backbone interact. energy: -0.425 local terms energy: -278.255517 where: bonds (distance) C4'-P energy: -47.861 bonds (distance) P-C4' energy: -65.806 flat angles C4'-P-C4' energy: -53.988 flat angles P-C4'-P energy: -45.372 tors. eta vs tors. theta energy: -65.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -845.225795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.225795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.225795 (E_RNA) where: Base-Base interactions energy: -582.616 where: short stacking energy: -242.634 Base-Backbone interact. energy: 0.677 local terms energy: -263.286325 where: bonds (distance) C4'-P energy: -55.039 bonds (distance) P-C4' energy: -39.721 flat angles C4'-P-C4' energy: -66.158 flat angles P-C4'-P energy: -38.190 tors. eta vs tors. theta energy: -64.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -837.542350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.542350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.542350 (E_RNA) where: Base-Base interactions energy: -576.984 where: short stacking energy: -255.169 Base-Backbone interact. energy: 0.876 local terms energy: -261.434528 where: bonds (distance) C4'-P energy: -45.752 bonds (distance) P-C4' energy: -56.938 flat angles C4'-P-C4' energy: -60.635 flat angles P-C4'-P energy: -36.015 tors. eta vs tors. theta energy: -62.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -686.836176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.836176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.836176 (E_RNA) where: Base-Base interactions energy: -460.615 where: short stacking energy: -186.835 Base-Backbone interact. energy: -1.493 local terms energy: -224.727698 where: bonds (distance) C4'-P energy: -49.171 bonds (distance) P-C4' energy: -60.516 flat angles C4'-P-C4' energy: -52.527 flat angles P-C4'-P energy: -35.510 tors. eta vs tors. theta energy: -27.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -685.175675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.175675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.175675 (E_RNA) where: Base-Base interactions energy: -445.393 where: short stacking energy: -195.787 Base-Backbone interact. energy: 0.346 local terms energy: -240.128800 where: bonds (distance) C4'-P energy: -48.145 bonds (distance) P-C4' energy: -61.436 flat angles C4'-P-C4' energy: -61.199 flat angles P-C4'-P energy: -31.782 tors. eta vs tors. theta energy: -37.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1187.544639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.544639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.544639 (E_RNA) where: Base-Base interactions energy: -846.124 where: short stacking energy: -365.546 Base-Backbone interact. energy: 1.777 local terms energy: -343.198360 where: bonds (distance) C4'-P energy: -57.187 bonds (distance) P-C4' energy: -63.531 flat angles C4'-P-C4' energy: -77.857 flat angles P-C4'-P energy: -44.784 tors. eta vs tors. theta energy: -99.840 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: 4 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1168.909206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.909206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.909206 (E_RNA) where: Base-Base interactions energy: -814.312 where: short stacking energy: -360.537 Base-Backbone interact. energy: -1.750 local terms energy: -352.847626 where: bonds (distance) C4'-P energy: -62.564 bonds (distance) P-C4' energy: -65.911 flat angles C4'-P-C4' energy: -73.963 flat angles P-C4'-P energy: -52.494 tors. eta vs tors. theta energy: -97.915 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: 1 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1141.145781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.145781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.145781 (E_RNA) where: Base-Base interactions energy: -816.463 where: short stacking energy: -331.901 Base-Backbone interact. energy: -2.616 local terms energy: -322.067592 where: bonds (distance) C4'-P energy: -59.277 bonds (distance) P-C4' energy: -62.183 flat angles C4'-P-C4' energy: -71.958 flat angles P-C4'-P energy: -41.212 tors. eta vs tors. theta energy: -87.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1012.288602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.288602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.288602 (E_RNA) where: Base-Base interactions energy: -689.120 where: short stacking energy: -293.748 Base-Backbone interact. energy: -2.297 local terms energy: -320.871137 where: bonds (distance) C4'-P energy: -52.192 bonds (distance) P-C4' energy: -64.669 flat angles C4'-P-C4' energy: -73.231 flat angles P-C4'-P energy: -50.153 tors. eta vs tors. theta energy: -80.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -963.641353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.641353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.641353 (E_RNA) where: Base-Base interactions energy: -669.395 where: short stacking energy: -283.412 Base-Backbone interact. energy: -2.699 local terms energy: -291.547554 where: bonds (distance) C4'-P energy: -51.719 bonds (distance) P-C4' energy: -52.550 flat angles C4'-P-C4' energy: -62.645 flat angles P-C4'-P energy: -51.557 tors. eta vs tors. theta energy: -73.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -934.603759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.603759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.603759 (E_RNA) where: Base-Base interactions energy: -646.594 where: short stacking energy: -262.688 Base-Backbone interact. energy: -1.105 local terms energy: -286.904578 where: bonds (distance) C4'-P energy: -52.077 bonds (distance) P-C4' energy: -62.028 flat angles C4'-P-C4' energy: -64.431 flat angles P-C4'-P energy: -41.433 tors. eta vs tors. theta energy: -66.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -870.754936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.754936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.754936 (E_RNA) where: Base-Base interactions energy: -613.307 where: short stacking energy: -256.117 Base-Backbone interact. energy: -2.831 local terms energy: -254.617317 where: bonds (distance) C4'-P energy: -36.429 bonds (distance) P-C4' energy: -58.611 flat angles C4'-P-C4' energy: -59.154 flat angles P-C4'-P energy: -32.347 tors. eta vs tors. theta energy: -68.076 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: 7 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -828.689684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.689684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.689684 (E_RNA) where: Base-Base interactions energy: -550.504 where: short stacking energy: -257.886 Base-Backbone interact. energy: -2.594 local terms energy: -275.591636 where: bonds (distance) C4'-P energy: -62.450 bonds (distance) P-C4' energy: -57.954 flat angles C4'-P-C4' energy: -59.430 flat angles P-C4'-P energy: -33.623 tors. eta vs tors. theta energy: -62.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -672.007318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.007318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.007318 (E_RNA) where: Base-Base interactions energy: -426.195 where: short stacking energy: -187.956 Base-Backbone interact. energy: 1.240 local terms energy: -247.052257 where: bonds (distance) C4'-P energy: -61.676 bonds (distance) P-C4' energy: -63.078 flat angles C4'-P-C4' energy: -48.999 flat angles P-C4'-P energy: -31.251 tors. eta vs tors. theta energy: -42.049 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: 292 Temperature: 1.350000 Total energy: -588.529995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.529995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.529995 (E_RNA) where: Base-Base interactions energy: -372.972 where: short stacking energy: -159.094 Base-Backbone interact. energy: -2.054 local terms energy: -213.504017 where: bonds (distance) C4'-P energy: -49.159 bonds (distance) P-C4' energy: -60.597 flat angles C4'-P-C4' energy: -57.766 flat angles P-C4'-P energy: -34.955 tors. eta vs tors. theta energy: -11.027 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: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1183.103753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.103753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.103753 (E_RNA) where: Base-Base interactions energy: -816.656 where: short stacking energy: -334.906 Base-Backbone interact. energy: -4.234 local terms energy: -362.214477 where: bonds (distance) C4'-P energy: -70.887 bonds (distance) P-C4' energy: -70.735 flat angles C4'-P-C4' energy: -71.054 flat angles P-C4'-P energy: -54.230 tors. eta vs tors. theta energy: -95.309 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: 293 Temperature: 0.950000 Total energy: -1160.980609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.980609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.980609 (E_RNA) where: Base-Base interactions energy: -804.064 where: short stacking energy: -358.508 Base-Backbone interact. energy: -1.212 local terms energy: -355.704927 where: bonds (distance) C4'-P energy: -67.367 bonds (distance) P-C4' energy: -59.603 flat angles C4'-P-C4' energy: -70.731 flat angles P-C4'-P energy: -58.612 tors. eta vs tors. theta energy: -99.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1128.751988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.751988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.751988 (E_RNA) where: Base-Base interactions energy: -809.914 where: short stacking energy: -331.998 Base-Backbone interact. energy: -0.254 local terms energy: -318.583512 where: bonds (distance) C4'-P energy: -58.784 bonds (distance) P-C4' energy: -61.319 flat angles C4'-P-C4' energy: -66.428 flat angles P-C4'-P energy: -47.391 tors. eta vs tors. theta energy: -84.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -996.188449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.188449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.188449 (E_RNA) where: Base-Base interactions energy: -687.682 where: short stacking energy: -293.296 Base-Backbone interact. energy: -0.751 local terms energy: -307.755426 where: bonds (distance) C4'-P energy: -59.632 bonds (distance) P-C4' energy: -58.314 flat angles C4'-P-C4' energy: -60.266 flat angles P-C4'-P energy: -50.671 tors. eta vs tors. theta energy: -78.872 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: 5 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -995.532583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.532583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.532583 (E_RNA) where: Base-Base interactions energy: -688.006 where: short stacking energy: -301.110 Base-Backbone interact. energy: -2.646 local terms energy: -304.881305 where: bonds (distance) C4'-P energy: -57.196 bonds (distance) P-C4' energy: -51.147 flat angles C4'-P-C4' energy: -72.004 flat angles P-C4'-P energy: -48.169 tors. eta vs tors. theta energy: -76.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -969.147307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.147307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.147307 (E_RNA) where: Base-Base interactions energy: -664.482 where: short stacking energy: -281.814 Base-Backbone interact. energy: -0.782 local terms energy: -303.883102 where: bonds (distance) C4'-P energy: -55.430 bonds (distance) P-C4' energy: -65.961 flat angles C4'-P-C4' energy: -61.605 flat angles P-C4'-P energy: -41.556 tors. eta vs tors. theta energy: -79.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -874.136052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.136052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.136052 (E_RNA) where: Base-Base interactions energy: -596.728 where: short stacking energy: -246.234 Base-Backbone interact. energy: -2.112 local terms energy: -275.296186 where: bonds (distance) C4'-P energy: -53.213 bonds (distance) P-C4' energy: -46.292 flat angles C4'-P-C4' energy: -69.951 flat angles P-C4'-P energy: -44.976 tors. eta vs tors. theta energy: -60.864 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: 7 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -806.454142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.454142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.454142 (E_RNA) where: Base-Base interactions energy: -526.412 where: short stacking energy: -249.482 Base-Backbone interact. energy: -1.106 local terms energy: -278.936083 where: bonds (distance) C4'-P energy: -48.084 bonds (distance) P-C4' energy: -63.541 flat angles C4'-P-C4' energy: -54.196 flat angles P-C4'-P energy: -46.185 tors. eta vs tors. theta energy: -66.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -643.551157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.551157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.551157 (E_RNA) where: Base-Base interactions energy: -434.813 where: short stacking energy: -206.593 Base-Backbone interact. energy: -2.226 local terms energy: -206.511598 where: bonds (distance) C4'-P energy: -45.317 bonds (distance) P-C4' energy: -54.987 flat angles C4'-P-C4' energy: -49.894 flat angles P-C4'-P energy: -27.596 tors. eta vs tors. theta energy: -28.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -604.957928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.957928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.957928 (E_RNA) where: Base-Base interactions energy: -393.287 where: short stacking energy: -170.959 Base-Backbone interact. energy: -1.509 local terms energy: -210.161161 where: bonds (distance) C4'-P energy: -40.783 bonds (distance) P-C4' energy: -57.803 flat angles C4'-P-C4' energy: -52.229 flat angles P-C4'-P energy: -39.370 tors. eta vs tors. theta energy: -19.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1204.129829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.129829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.129829 (E_RNA) where: Base-Base interactions energy: -853.954 where: short stacking energy: -371.073 Base-Backbone interact. energy: -1.065 local terms energy: -349.110823 where: bonds (distance) C4'-P energy: -62.995 bonds (distance) P-C4' energy: -67.126 flat angles C4'-P-C4' energy: -71.087 flat angles P-C4'-P energy: -51.232 tors. eta vs tors. theta energy: -96.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1156.235292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.235292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.235292 (E_RNA) where: Base-Base interactions energy: -815.041 where: short stacking energy: -346.509 Base-Backbone interact. energy: -0.305 local terms energy: -340.888545 where: bonds (distance) C4'-P energy: -65.898 bonds (distance) P-C4' energy: -68.189 flat angles C4'-P-C4' energy: -71.691 flat angles P-C4'-P energy: -43.657 tors. eta vs tors. theta energy: -91.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1133.514081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.514081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.514081 (E_RNA) where: Base-Base interactions energy: -801.413 where: short stacking energy: -323.637 Base-Backbone interact. energy: -1.780 local terms energy: -330.321436 where: bonds (distance) C4'-P energy: -58.597 bonds (distance) P-C4' energy: -68.647 flat angles C4'-P-C4' energy: -74.954 flat angles P-C4'-P energy: -48.836 tors. eta vs tors. theta energy: -79.287 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: 9 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1042.457492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.457492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.457492 (E_RNA) where: Base-Base interactions energy: -729.657 where: short stacking energy: -320.845 Base-Backbone interact. energy: -0.807 local terms energy: -311.993352 where: bonds (distance) C4'-P energy: -61.890 bonds (distance) P-C4' energy: -52.087 flat angles C4'-P-C4' energy: -73.639 flat angles P-C4'-P energy: -45.667 tors. eta vs tors. theta energy: -78.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -990.688486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.688486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.688486 (E_RNA) where: Base-Base interactions energy: -705.028 where: short stacking energy: -297.792 Base-Backbone interact. energy: -1.584 local terms energy: -284.076618 where: bonds (distance) C4'-P energy: -57.630 bonds (distance) P-C4' energy: -50.548 flat angles C4'-P-C4' energy: -69.769 flat angles P-C4'-P energy: -44.508 tors. eta vs tors. theta energy: -61.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -982.989699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.989699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.989699 (E_RNA) where: Base-Base interactions energy: -684.117 where: short stacking energy: -303.221 Base-Backbone interact. energy: -0.975 local terms energy: -297.898173 where: bonds (distance) C4'-P energy: -51.528 bonds (distance) P-C4' energy: -57.318 flat angles C4'-P-C4' energy: -61.322 flat angles P-C4'-P energy: -44.908 tors. eta vs tors. theta energy: -82.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -920.776697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.776697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.776697 (E_RNA) where: Base-Base interactions energy: -625.501 where: short stacking energy: -245.495 Base-Backbone interact. energy: 1.918 local terms energy: -297.193825 where: bonds (distance) C4'-P energy: -62.816 bonds (distance) P-C4' energy: -69.473 flat angles C4'-P-C4' energy: -64.103 flat angles P-C4'-P energy: -37.441 tors. eta vs tors. theta energy: -63.361 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: 294 Temperature: 1.250000 Total energy: -824.192705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.192705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.192705 (E_RNA) where: Base-Base interactions energy: -580.967 where: short stacking energy: -253.060 Base-Backbone interact. energy: -1.205 local terms energy: -242.020746 where: bonds (distance) C4'-P energy: -45.529 bonds (distance) P-C4' energy: -59.350 flat angles C4'-P-C4' energy: -53.957 flat angles P-C4'-P energy: -27.666 tors. eta vs tors. theta energy: -55.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -613.120672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.120672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.120672 (E_RNA) where: Base-Base interactions energy: -387.108 where: short stacking energy: -167.955 Base-Backbone interact. energy: -0.705 local terms energy: -225.308509 where: bonds (distance) C4'-P energy: -72.837 bonds (distance) P-C4' energy: -61.878 flat angles C4'-P-C4' energy: -45.873 flat angles P-C4'-P energy: -26.087 tors. eta vs tors. theta energy: -18.634 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: 10, replica: 2 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -662.261717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.261717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.261717 (E_RNA) where: Base-Base interactions energy: -424.887 where: short stacking energy: -197.071 Base-Backbone interact. energy: -1.618 local terms energy: -235.757071 where: bonds (distance) C4'-P energy: -52.159 bonds (distance) P-C4' energy: -50.963 flat angles C4'-P-C4' energy: -52.696 flat angles P-C4'-P energy: -39.457 tors. eta vs tors. theta energy: -40.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1192.188309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.188309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.188309 (E_RNA) where: Base-Base interactions energy: -846.089 where: short stacking energy: -360.634 Base-Backbone interact. energy: 0.624 local terms energy: -346.723456 where: bonds (distance) C4'-P energy: -62.153 bonds (distance) P-C4' energy: -45.541 flat angles C4'-P-C4' energy: -80.539 flat angles P-C4'-P energy: -58.826 tors. eta vs tors. theta energy: -99.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1164.481010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.481010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.481010 (E_RNA) where: Base-Base interactions energy: -814.422 where: short stacking energy: -339.982 Base-Backbone interact. energy: -0.353 local terms energy: -349.706299 where: bonds (distance) C4'-P energy: -66.328 bonds (distance) P-C4' energy: -63.874 flat angles C4'-P-C4' energy: -77.840 flat angles P-C4'-P energy: -53.965 tors. eta vs tors. theta energy: -87.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1114.395129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.395129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.395129 (E_RNA) where: Base-Base interactions energy: -785.300 where: short stacking energy: -335.536 Base-Backbone interact. energy: 0.853 local terms energy: -329.948246 where: bonds (distance) C4'-P energy: -61.293 bonds (distance) P-C4' energy: -62.360 flat angles C4'-P-C4' energy: -66.550 flat angles P-C4'-P energy: -44.713 tors. eta vs tors. theta energy: -95.032 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: 8 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1039.608880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.608880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.608880 (E_RNA) where: Base-Base interactions energy: -716.493 where: short stacking energy: -305.348 Base-Backbone interact. energy: -0.355 local terms energy: -322.761506 where: bonds (distance) C4'-P energy: -66.306 bonds (distance) P-C4' energy: -55.857 flat angles C4'-P-C4' energy: -71.558 flat angles P-C4'-P energy: -48.719 tors. eta vs tors. theta energy: -80.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1013.893239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.893239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.893239 (E_RNA) where: Base-Base interactions energy: -711.705 where: short stacking energy: -318.007 Base-Backbone interact. energy: -1.626 local terms energy: -300.562734 where: bonds (distance) C4'-P energy: -55.137 bonds (distance) P-C4' energy: -57.630 flat angles C4'-P-C4' energy: -66.745 flat angles P-C4'-P energy: -40.627 tors. eta vs tors. theta energy: -80.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -978.997719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.997719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.997719 (E_RNA) where: Base-Base interactions energy: -693.753 where: short stacking energy: -303.633 Base-Backbone interact. energy: 0.388 local terms energy: -285.632477 where: bonds (distance) C4'-P energy: -47.797 bonds (distance) P-C4' energy: -49.342 flat angles C4'-P-C4' energy: -65.721 flat angles P-C4'-P energy: -42.259 tors. eta vs tors. theta energy: -80.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -923.192163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.192163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.192163 (E_RNA) where: Base-Base interactions energy: -654.502 where: short stacking energy: -257.590 Base-Backbone interact. energy: -2.468 local terms energy: -266.221984 where: bonds (distance) C4'-P energy: -58.153 bonds (distance) P-C4' energy: -51.148 flat angles C4'-P-C4' energy: -60.982 flat angles P-C4'-P energy: -31.461 tors. eta vs tors. theta energy: -64.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -809.266852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.266852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.266852 (E_RNA) where: Base-Base interactions energy: -567.253 where: short stacking energy: -237.432 Base-Backbone interact. energy: -1.012 local terms energy: -241.001116 where: bonds (distance) C4'-P energy: -50.735 bonds (distance) P-C4' energy: -50.781 flat angles C4'-P-C4' energy: -56.563 flat angles P-C4'-P energy: -35.548 tors. eta vs tors. theta energy: -47.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -598.597368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.597368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.597368 (E_RNA) where: Base-Base interactions energy: -394.271 where: short stacking energy: -178.545 Base-Backbone interact. energy: 0.165 local terms energy: -204.491544 where: bonds (distance) C4'-P energy: -46.456 bonds (distance) P-C4' energy: -47.874 flat angles C4'-P-C4' energy: -53.987 flat angles P-C4'-P energy: -41.326 tors. eta vs tors. theta energy: -14.848 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: 2 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -624.942801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.942801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.942801 (E_RNA) where: Base-Base interactions energy: -408.195 where: short stacking energy: -199.644 Base-Backbone interact. energy: -2.183 local terms energy: -214.565072 where: bonds (distance) C4'-P energy: -43.582 bonds (distance) P-C4' energy: -42.033 flat angles C4'-P-C4' energy: -62.323 flat angles P-C4'-P energy: -27.683 tors. eta vs tors. theta energy: -38.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1189.222211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.222211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.222211 (E_RNA) where: Base-Base interactions energy: -828.611 where: short stacking energy: -346.419 Base-Backbone interact. energy: -3.130 local terms energy: -357.481048 where: bonds (distance) C4'-P energy: -62.241 bonds (distance) P-C4' energy: -62.498 flat angles C4'-P-C4' energy: -73.903 flat angles P-C4'-P energy: -58.999 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: 2, replica: 1 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1167.739328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.739328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.739328 (E_RNA) where: Base-Base interactions energy: -816.841 where: short stacking energy: -338.259 Base-Backbone interact. energy: -1.092 local terms energy: -349.805981 where: bonds (distance) C4'-P energy: -66.599 bonds (distance) P-C4' energy: -71.920 flat angles C4'-P-C4' energy: -69.003 flat angles P-C4'-P energy: -54.086 tors. eta vs tors. theta energy: -88.198 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: 4 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1121.953766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.953766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.953766 (E_RNA) where: Base-Base interactions energy: -768.270 where: short stacking energy: -354.997 Base-Backbone interact. energy: 0.260 local terms energy: -353.943806 where: bonds (distance) C4'-P energy: -60.255 bonds (distance) P-C4' energy: -70.547 flat angles C4'-P-C4' energy: -72.234 flat angles P-C4'-P energy: -52.657 tors. eta vs tors. theta energy: -98.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1054.906264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.906264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.906264 (E_RNA) where: Base-Base interactions energy: -729.377 where: short stacking energy: -308.049 Base-Backbone interact. energy: -1.697 local terms energy: -323.832095 where: bonds (distance) C4'-P energy: -57.637 bonds (distance) P-C4' energy: -64.354 flat angles C4'-P-C4' energy: -71.000 flat angles P-C4'-P energy: -45.143 tors. eta vs tors. theta energy: -85.698 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: 5, replica: 9 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1004.553771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.553771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.553771 (E_RNA) where: Base-Base interactions energy: -700.855 where: short stacking energy: -311.118 Base-Backbone interact. energy: -0.898 local terms energy: -302.800853 where: bonds (distance) C4'-P energy: -58.014 bonds (distance) P-C4' energy: -61.347 flat angles C4'-P-C4' energy: -67.271 flat angles P-C4'-P energy: -32.629 tors. eta vs tors. theta energy: -83.540 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: 5 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -925.558602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.558602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.558602 (E_RNA) where: Base-Base interactions energy: -642.515 where: short stacking energy: -275.853 Base-Backbone interact. energy: -2.562 local terms energy: -280.481257 where: bonds (distance) C4'-P energy: -51.603 bonds (distance) P-C4' energy: -51.504 flat angles C4'-P-C4' energy: -64.421 flat angles P-C4'-P energy: -39.682 tors. eta vs tors. theta energy: -73.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -913.498163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.498163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.498163 (E_RNA) where: Base-Base interactions energy: -633.114 where: short stacking energy: -266.069 Base-Backbone interact. energy: -0.412 local terms energy: -279.973060 where: bonds (distance) C4'-P energy: -63.236 bonds (distance) P-C4' energy: -50.550 flat angles C4'-P-C4' energy: -67.688 flat angles P-C4'-P energy: -34.918 tors. eta vs tors. theta energy: -63.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -826.000272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.000272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.000272 (E_RNA) where: Base-Base interactions energy: -562.343 where: short stacking energy: -225.279 Base-Backbone interact. energy: 0.501 local terms energy: -264.157858 where: bonds (distance) C4'-P energy: -55.801 bonds (distance) P-C4' energy: -57.490 flat angles C4'-P-C4' energy: -52.402 flat angles P-C4'-P energy: -42.841 tors. eta vs tors. theta energy: -55.624 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: 2 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -638.726549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.726549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.726549 (E_RNA) where: Base-Base interactions energy: -415.152 where: short stacking energy: -172.432 Base-Backbone interact. energy: 1.191 local terms energy: -224.765334 where: bonds (distance) C4'-P energy: -54.005 bonds (distance) P-C4' energy: -49.216 flat angles C4'-P-C4' energy: -53.206 flat angles P-C4'-P energy: -35.663 tors. eta vs tors. theta energy: -32.677 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: 3 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -581.488533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.488533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.488533 (E_RNA) where: Base-Base interactions energy: -372.730 where: short stacking energy: -164.265 Base-Backbone interact. energy: 3.167 local terms energy: -211.925555 where: bonds (distance) C4'-P energy: -52.752 bonds (distance) P-C4' energy: -63.435 flat angles C4'-P-C4' energy: -40.257 flat angles P-C4'-P energy: -34.119 tors. eta vs tors. theta energy: -21.362 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: 1, replica: 10 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1211.730784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.730784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.730784 (E_RNA) where: Base-Base interactions energy: -839.930 where: short stacking energy: -360.521 Base-Backbone interact. energy: 1.803 local terms energy: -373.603839 where: bonds (distance) C4'-P energy: -67.119 bonds (distance) P-C4' energy: -77.643 flat angles C4'-P-C4' energy: -76.846 flat angles P-C4'-P energy: -55.526 tors. eta vs tors. theta energy: -96.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1166.939768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.939768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.939768 (E_RNA) where: Base-Base interactions energy: -837.237 where: short stacking energy: -344.005 Base-Backbone interact. energy: 1.065 local terms energy: -330.768192 where: bonds (distance) C4'-P energy: -64.138 bonds (distance) P-C4' energy: -62.997 flat angles C4'-P-C4' energy: -73.024 flat angles P-C4'-P energy: -45.116 tors. eta vs tors. theta energy: -85.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1127.621034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.621034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.621034 (E_RNA) where: Base-Base interactions energy: -765.788 where: short stacking energy: -356.990 Base-Backbone interact. energy: -0.419 local terms energy: -361.414084 where: bonds (distance) C4'-P energy: -63.893 bonds (distance) P-C4' energy: -71.522 flat angles C4'-P-C4' energy: -69.479 flat angles P-C4'-P energy: -52.527 tors. eta vs tors. theta energy: -103.993 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: 8 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1041.229305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.229305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.229305 (E_RNA) where: Base-Base interactions energy: -738.628 where: short stacking energy: -318.933 Base-Backbone interact. energy: -0.490 local terms energy: -302.111277 where: bonds (distance) C4'-P energy: -42.721 bonds (distance) P-C4' energy: -68.125 flat angles C4'-P-C4' energy: -63.066 flat angles P-C4'-P energy: -48.558 tors. eta vs tors. theta energy: -79.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1001.537422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.537422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.537422 (E_RNA) where: Base-Base interactions energy: -718.974 where: short stacking energy: -313.457 Base-Backbone interact. energy: 3.600 local terms energy: -286.162787 where: bonds (distance) C4'-P energy: -52.412 bonds (distance) P-C4' energy: -46.820 flat angles C4'-P-C4' energy: -70.809 flat angles P-C4'-P energy: -42.532 tors. eta vs tors. theta energy: -73.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -918.079932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.079932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.079932 (E_RNA) where: Base-Base interactions energy: -622.288 where: short stacking energy: -257.787 Base-Backbone interact. energy: -3.124 local terms energy: -292.667795 where: bonds (distance) C4'-P energy: -59.330 bonds (distance) P-C4' energy: -50.230 flat angles C4'-P-C4' energy: -61.254 flat angles P-C4'-P energy: -50.613 tors. eta vs tors. theta energy: -71.240 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: 5 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -889.977459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.977459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.977459 (E_RNA) where: Base-Base interactions energy: -609.390 where: short stacking energy: -266.828 Base-Backbone interact. energy: 3.484 local terms energy: -284.071966 where: bonds (distance) C4'-P energy: -59.210 bonds (distance) P-C4' energy: -59.102 flat angles C4'-P-C4' energy: -54.777 flat angles P-C4'-P energy: -40.246 tors. eta vs tors. theta energy: -70.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -858.187421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.187421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.187421 (E_RNA) where: Base-Base interactions energy: -584.482 where: short stacking energy: -250.242 Base-Backbone interact. energy: -0.560 local terms energy: -273.145345 where: bonds (distance) C4'-P energy: -50.987 bonds (distance) P-C4' energy: -56.769 flat angles C4'-P-C4' energy: -62.317 flat angles P-C4'-P energy: -40.861 tors. eta vs tors. theta energy: -62.212 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: 9, replica: 2 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -638.795824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.795824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.795824 (E_RNA) where: Base-Base interactions energy: -428.766 where: short stacking energy: -188.097 Base-Backbone interact. energy: 0.073 local terms energy: -210.102734 where: bonds (distance) C4'-P energy: -51.931 bonds (distance) P-C4' energy: -42.614 flat angles C4'-P-C4' energy: -62.078 flat angles P-C4'-P energy: -26.664 tors. eta vs tors. theta energy: -26.816 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: 3 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -606.114358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.114358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.114358 (E_RNA) where: Base-Base interactions energy: -416.443 where: short stacking energy: -180.686 Base-Backbone interact. energy: 2.767 local terms energy: -192.439019 where: bonds (distance) C4'-P energy: -37.240 bonds (distance) P-C4' energy: -47.939 flat angles C4'-P-C4' energy: -51.622 flat angles P-C4'-P energy: -36.632 tors. eta vs tors. theta energy: -19.006 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: 1, replica: 10 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1197.502287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.502287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.502287 (E_RNA) where: Base-Base interactions energy: -855.750 where: short stacking energy: -366.647 Base-Backbone interact. energy: -2.960 local terms energy: -338.792502 where: bonds (distance) C4'-P energy: -63.498 bonds (distance) P-C4' energy: -57.899 flat angles C4'-P-C4' energy: -67.568 flat angles P-C4'-P energy: -44.873 tors. eta vs tors. theta energy: -104.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1167.431521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.431521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.431521 (E_RNA) where: Base-Base interactions energy: -837.877 where: short stacking energy: -336.493 Base-Backbone interact. energy: -1.807 local terms energy: -327.747915 where: bonds (distance) C4'-P energy: -57.867 bonds (distance) P-C4' energy: -65.549 flat angles C4'-P-C4' energy: -65.811 flat angles P-C4'-P energy: -54.513 tors. eta vs tors. theta energy: -84.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1142.751462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.751462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.751462 (E_RNA) where: Base-Base interactions energy: -782.747 where: short stacking energy: -358.212 Base-Backbone interact. energy: -1.075 local terms energy: -358.930435 where: bonds (distance) C4'-P energy: -58.360 bonds (distance) P-C4' energy: -59.820 flat angles C4'-P-C4' energy: -77.335 flat angles P-C4'-P energy: -53.828 tors. eta vs tors. theta energy: -109.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1025.369820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.369820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.369820 (E_RNA) where: Base-Base interactions energy: -699.572 where: short stacking energy: -305.146 Base-Backbone interact. energy: -2.022 local terms energy: -323.776356 where: bonds (distance) C4'-P energy: -64.236 bonds (distance) P-C4' energy: -61.930 flat angles C4'-P-C4' energy: -73.096 flat angles P-C4'-P energy: -51.117 tors. eta vs tors. theta energy: -73.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1003.992142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.992142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.992142 (E_RNA) where: Base-Base interactions energy: -709.189 where: short stacking energy: -293.071 Base-Backbone interact. energy: -2.635 local terms energy: -292.168424 where: bonds (distance) C4'-P energy: -52.179 bonds (distance) P-C4' energy: -47.755 flat angles C4'-P-C4' energy: -66.176 flat angles P-C4'-P energy: -47.644 tors. eta vs tors. theta energy: -78.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -918.789520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.789520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.789520 (E_RNA) where: Base-Base interactions energy: -640.445 where: short stacking energy: -246.727 Base-Backbone interact. energy: -3.759 local terms energy: -274.585619 where: bonds (distance) C4'-P energy: -54.220 bonds (distance) P-C4' energy: -57.540 flat angles C4'-P-C4' energy: -66.786 flat angles P-C4'-P energy: -36.990 tors. eta vs tors. theta energy: -59.051 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: 5 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -909.640256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.640256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.640256 (E_RNA) where: Base-Base interactions energy: -627.511 where: short stacking energy: -269.886 Base-Backbone interact. energy: -0.744 local terms energy: -281.384947 where: bonds (distance) C4'-P energy: -55.725 bonds (distance) P-C4' energy: -58.696 flat angles C4'-P-C4' energy: -59.774 flat angles P-C4'-P energy: -37.199 tors. eta vs tors. theta energy: -69.991 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: 8, replica: 7 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -836.990718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.990718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.990718 (E_RNA) where: Base-Base interactions energy: -571.783 where: short stacking energy: -241.998 Base-Backbone interact. energy: -0.140 local terms energy: -265.067703 where: bonds (distance) C4'-P energy: -49.191 bonds (distance) P-C4' energy: -62.767 flat angles C4'-P-C4' energy: -59.070 flat angles P-C4'-P energy: -32.269 tors. eta vs tors. theta energy: -61.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -649.793385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.793385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.793385 (E_RNA) where: Base-Base interactions energy: -394.780 where: short stacking energy: -183.860 Base-Backbone interact. energy: -0.396 local terms energy: -254.616872 where: bonds (distance) C4'-P energy: -56.526 bonds (distance) P-C4' energy: -52.939 flat angles C4'-P-C4' energy: -54.613 flat angles P-C4'-P energy: -38.067 tors. eta vs tors. theta energy: -52.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -628.410840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.410840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.410840 (E_RNA) where: Base-Base interactions energy: -415.591 where: short stacking energy: -175.696 Base-Backbone interact. energy: -2.041 local terms energy: -210.778948 where: bonds (distance) C4'-P energy: -44.262 bonds (distance) P-C4' energy: -48.931 flat angles C4'-P-C4' energy: -48.961 flat angles P-C4'-P energy: -39.336 tors. eta vs tors. theta energy: -29.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1204.632633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.632633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.632633 (E_RNA) where: Base-Base interactions energy: -859.666 where: short stacking energy: -359.591 Base-Backbone interact. energy: 0.523 local terms energy: -345.489008 where: bonds (distance) C4'-P energy: -56.433 bonds (distance) P-C4' energy: -63.465 flat angles C4'-P-C4' energy: -76.041 flat angles P-C4'-P energy: -57.558 tors. eta vs tors. theta energy: -91.992 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: 1 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1166.119055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.119055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.119055 (E_RNA) where: Base-Base interactions energy: -836.392 where: short stacking energy: -339.922 Base-Backbone interact. energy: -0.568 local terms energy: -329.159335 where: bonds (distance) C4'-P energy: -63.401 bonds (distance) P-C4' energy: -57.697 flat angles C4'-P-C4' energy: -74.179 flat angles P-C4'-P energy: -47.478 tors. eta vs tors. theta energy: -86.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1136.733874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.733874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.733874 (E_RNA) where: Base-Base interactions energy: -790.654 where: short stacking energy: -357.036 Base-Backbone interact. energy: -0.073 local terms energy: -346.006878 where: bonds (distance) C4'-P energy: -60.226 bonds (distance) P-C4' energy: -63.822 flat angles C4'-P-C4' energy: -67.936 flat angles P-C4'-P energy: -47.986 tors. eta vs tors. theta energy: -106.037 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: 8 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1031.894329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.894329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.894329 (E_RNA) where: Base-Base interactions energy: -730.178 where: short stacking energy: -311.384 Base-Backbone interact. energy: -1.790 local terms energy: -299.926327 where: bonds (distance) C4'-P energy: -55.581 bonds (distance) P-C4' energy: -61.098 flat angles C4'-P-C4' energy: -65.254 flat angles P-C4'-P energy: -42.946 tors. eta vs tors. theta energy: -75.048 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: 9 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -977.353453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.353453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.353453 (E_RNA) where: Base-Base interactions energy: -673.320 where: short stacking energy: -292.857 Base-Backbone interact. energy: -1.899 local terms energy: -302.134304 where: bonds (distance) C4'-P energy: -62.389 bonds (distance) P-C4' energy: -63.125 flat angles C4'-P-C4' energy: -60.362 flat angles P-C4'-P energy: -41.561 tors. eta vs tors. theta energy: -74.698 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: 5 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -951.664691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.664691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.664691 (E_RNA) where: Base-Base interactions energy: -657.721 where: short stacking energy: -298.842 Base-Backbone interact. energy: 0.168 local terms energy: -294.111808 where: bonds (distance) C4'-P energy: -47.762 bonds (distance) P-C4' energy: -56.733 flat angles C4'-P-C4' energy: -67.482 flat angles P-C4'-P energy: -41.062 tors. eta vs tors. theta energy: -81.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -876.655014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.655014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.655014 (E_RNA) where: Base-Base interactions energy: -601.473 where: short stacking energy: -228.296 Base-Backbone interact. energy: 5.678 local terms energy: -280.860145 where: bonds (distance) C4'-P energy: -54.369 bonds (distance) P-C4' energy: -67.390 flat angles C4'-P-C4' energy: -55.755 flat angles P-C4'-P energy: -41.206 tors. eta vs tors. theta energy: -62.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -836.539680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.539680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.539680 (E_RNA) where: Base-Base interactions energy: -582.835 where: short stacking energy: -250.414 Base-Backbone interact. energy: 1.310 local terms energy: -255.014539 where: bonds (distance) C4'-P energy: -61.843 bonds (distance) P-C4' energy: -45.047 flat angles C4'-P-C4' energy: -50.245 flat angles P-C4'-P energy: -38.285 tors. eta vs tors. theta energy: -59.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -662.716119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.716119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.716119 (E_RNA) where: Base-Base interactions energy: -415.934 where: short stacking energy: -190.409 Base-Backbone interact. energy: -1.346 local terms energy: -245.435810 where: bonds (distance) C4'-P energy: -58.839 bonds (distance) P-C4' energy: -62.273 flat angles C4'-P-C4' energy: -54.489 flat angles P-C4'-P energy: -31.582 tors. eta vs tors. theta energy: -38.252 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: 3 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -601.328789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.328789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.328789 (E_RNA) where: Base-Base interactions energy: -391.765 where: short stacking energy: -184.974 Base-Backbone interact. energy: -0.199 local terms energy: -209.364659 where: bonds (distance) C4'-P energy: -43.976 bonds (distance) P-C4' energy: -41.299 flat angles C4'-P-C4' energy: -58.356 flat angles P-C4'-P energy: -28.547 tors. eta vs tors. theta energy: -37.187 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: 10 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1195.708558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.708558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.708558 (E_RNA) where: Base-Base interactions energy: -854.214 where: short stacking energy: -344.079 Base-Backbone interact. energy: -2.434 local terms energy: -339.060412 where: bonds (distance) C4'-P energy: -55.320 bonds (distance) P-C4' energy: -63.420 flat angles C4'-P-C4' energy: -71.519 flat angles P-C4'-P energy: -53.338 tors. eta vs tors. theta energy: -95.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1154.543562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.543562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.543562 (E_RNA) where: Base-Base interactions energy: -823.718 where: short stacking energy: -320.280 Base-Backbone interact. energy: 0.051 local terms energy: -330.875782 where: bonds (distance) C4'-P energy: -63.207 bonds (distance) P-C4' energy: -65.403 flat angles C4'-P-C4' energy: -69.773 flat angles P-C4'-P energy: -48.287 tors. eta vs tors. theta energy: -84.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1139.957968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.957968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.957968 (E_RNA) where: Base-Base interactions energy: -794.243 where: short stacking energy: -365.410 Base-Backbone interact. energy: 0.856 local terms energy: -346.570895 where: bonds (distance) C4'-P energy: -63.864 bonds (distance) P-C4' energy: -57.880 flat angles C4'-P-C4' energy: -71.987 flat angles P-C4'-P energy: -48.149 tors. eta vs tors. theta energy: -104.692 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: 4, replica: 8 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1010.536945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.536945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.536945 (E_RNA) where: Base-Base interactions energy: -698.887 where: short stacking energy: -293.586 Base-Backbone interact. energy: 0.989 local terms energy: -312.639040 where: bonds (distance) C4'-P energy: -66.197 bonds (distance) P-C4' energy: -60.686 flat angles C4'-P-C4' energy: -64.667 flat angles P-C4'-P energy: -44.611 tors. eta vs tors. theta energy: -76.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1020.399950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.399950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.399950 (E_RNA) where: Base-Base interactions energy: -710.546 where: short stacking energy: -313.556 Base-Backbone interact. energy: -0.176 local terms energy: -309.678172 where: bonds (distance) C4'-P energy: -53.528 bonds (distance) P-C4' energy: -63.821 flat angles C4'-P-C4' energy: -66.056 flat angles P-C4'-P energy: -40.596 tors. eta vs tors. theta energy: -85.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -925.009930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.009930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.009930 (E_RNA) where: Base-Base interactions energy: -640.472 where: short stacking energy: -300.579 Base-Backbone interact. energy: -0.512 local terms energy: -284.026346 where: bonds (distance) C4'-P energy: -54.008 bonds (distance) P-C4' energy: -45.821 flat angles C4'-P-C4' energy: -65.983 flat angles P-C4'-P energy: -41.190 tors. eta vs tors. theta energy: -77.024 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: 300 Temperature: 1.200000 Total energy: -884.336268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.336268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.336268 (E_RNA) where: Base-Base interactions energy: -614.462 where: short stacking energy: -275.490 Base-Backbone interact. energy: 0.992 local terms energy: -270.866482 where: bonds (distance) C4'-P energy: -48.800 bonds (distance) P-C4' energy: -59.866 flat angles C4'-P-C4' energy: -64.877 flat angles P-C4'-P energy: -25.510 tors. eta vs tors. theta energy: -71.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -872.139469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.139469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.139469 (E_RNA) where: Base-Base interactions energy: -610.105 where: short stacking energy: -240.892 Base-Backbone interact. energy: -1.032 local terms energy: -261.003027 where: bonds (distance) C4'-P energy: -34.697 bonds (distance) P-C4' energy: -56.609 flat angles C4'-P-C4' energy: -68.421 flat angles P-C4'-P energy: -45.873 tors. eta vs tors. theta energy: -55.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -632.949145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.949145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.949145 (E_RNA) where: Base-Base interactions energy: -402.672 where: short stacking energy: -189.645 Base-Backbone interact. energy: -0.986 local terms energy: -229.290933 where: bonds (distance) C4'-P energy: -47.707 bonds (distance) P-C4' energy: -59.207 flat angles C4'-P-C4' energy: -51.470 flat angles P-C4'-P energy: -35.806 tors. eta vs tors. theta energy: -35.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -561.264771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.264771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.264771 (E_RNA) where: Base-Base interactions energy: -333.480 where: short stacking energy: -147.223 Base-Backbone interact. energy: 0.734 local terms energy: -228.518193 where: bonds (distance) C4'-P energy: -38.190 bonds (distance) P-C4' energy: -67.973 flat angles C4'-P-C4' energy: -52.990 flat angles P-C4'-P energy: -40.428 tors. eta vs tors. theta energy: -28.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1186.935524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.935524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.935524 (E_RNA) where: Base-Base interactions energy: -852.064 where: short stacking energy: -362.182 Base-Backbone interact. energy: -2.118 local terms energy: -332.752966 where: bonds (distance) C4'-P energy: -55.694 bonds (distance) P-C4' energy: -64.354 flat angles C4'-P-C4' energy: -67.544 flat angles P-C4'-P energy: -53.129 tors. eta vs tors. theta energy: -92.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1133.391094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.391094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.391094 (E_RNA) where: Base-Base interactions energy: -792.569 where: short stacking energy: -320.016 Base-Backbone interact. energy: -0.800 local terms energy: -340.021510 where: bonds (distance) C4'-P energy: -62.726 bonds (distance) P-C4' energy: -66.343 flat angles C4'-P-C4' energy: -74.333 flat angles P-C4'-P energy: -47.010 tors. eta vs tors. theta energy: -89.609 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: 301 Temperature: 1.000000 Total energy: -1150.366517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.366517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.366517 (E_RNA) where: Base-Base interactions energy: -797.118 where: short stacking energy: -354.478 Base-Backbone interact. energy: -0.341 local terms energy: -352.907551 where: bonds (distance) C4'-P energy: -65.121 bonds (distance) P-C4' energy: -63.948 flat angles C4'-P-C4' energy: -72.519 flat angles P-C4'-P energy: -54.417 tors. eta vs tors. theta energy: -96.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1011.465490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.465490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.465490 (E_RNA) where: Base-Base interactions energy: -705.992 where: short stacking energy: -306.981 Base-Backbone interact. energy: -0.368 local terms energy: -305.106228 where: bonds (distance) C4'-P energy: -57.389 bonds (distance) P-C4' energy: -63.062 flat angles C4'-P-C4' energy: -69.685 flat angles P-C4'-P energy: -45.230 tors. eta vs tors. theta energy: -69.740 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: 9 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -984.560832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.560832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.560832 (E_RNA) where: Base-Base interactions energy: -687.457 where: short stacking energy: -312.654 Base-Backbone interact. energy: -0.671 local terms energy: -296.432955 where: bonds (distance) C4'-P energy: -59.051 bonds (distance) P-C4' energy: -51.202 flat angles C4'-P-C4' energy: -65.931 flat angles P-C4'-P energy: -46.523 tors. eta vs tors. theta energy: -73.726 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: 6, replica: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -907.626096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.626096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.626096 (E_RNA) where: Base-Base interactions energy: -625.846 where: short stacking energy: -267.355 Base-Backbone interact. energy: -0.374 local terms energy: -281.406306 where: bonds (distance) C4'-P energy: -52.528 bonds (distance) P-C4' energy: -56.972 flat angles C4'-P-C4' energy: -58.348 flat angles P-C4'-P energy: -46.074 tors. eta vs tors. theta energy: -67.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -855.565135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.565135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.565135 (E_RNA) where: Base-Base interactions energy: -596.457 where: short stacking energy: -258.469 Base-Backbone interact. energy: -1.101 local terms energy: -258.007696 where: bonds (distance) C4'-P energy: -48.905 bonds (distance) P-C4' energy: -45.083 flat angles C4'-P-C4' energy: -67.311 flat angles P-C4'-P energy: -35.849 tors. eta vs tors. theta energy: -60.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -883.177373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.177373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.177373 (E_RNA) where: Base-Base interactions energy: -618.105 where: short stacking energy: -268.906 Base-Backbone interact. energy: 1.966 local terms energy: -267.039038 where: bonds (distance) C4'-P energy: -44.598 bonds (distance) P-C4' energy: -47.523 flat angles C4'-P-C4' energy: -58.025 flat angles P-C4'-P energy: -40.618 tors. eta vs tors. theta energy: -76.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -626.178520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.178520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.178520 (E_RNA) where: Base-Base interactions energy: -364.592 where: short stacking energy: -173.803 Base-Backbone interact. energy: -0.342 local terms energy: -261.244601 where: bonds (distance) C4'-P energy: -63.845 bonds (distance) P-C4' energy: -56.952 flat angles C4'-P-C4' energy: -58.367 flat angles P-C4'-P energy: -45.299 tors. eta vs tors. theta energy: -36.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -478.176330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.176330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.176330 (E_RNA) where: Base-Base interactions energy: -274.554 where: short stacking energy: -121.478 Base-Backbone interact. energy: 1.755 local terms energy: -205.377598 where: bonds (distance) C4'-P energy: -40.017 bonds (distance) P-C4' energy: -60.037 flat angles C4'-P-C4' energy: -55.765 flat angles P-C4'-P energy: -34.785 tors. eta vs tors. theta energy: -14.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1189.788845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.788845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.788845 (E_RNA) where: Base-Base interactions energy: -849.868 where: short stacking energy: -347.589 Base-Backbone interact. energy: -1.400 local terms energy: -338.520951 where: bonds (distance) C4'-P energy: -66.911 bonds (distance) P-C4' energy: -62.930 flat angles C4'-P-C4' energy: -66.986 flat angles P-C4'-P energy: -50.588 tors. eta vs tors. theta energy: -91.106 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: 2, replica: 1 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1141.289048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.289048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.289048 (E_RNA) where: Base-Base interactions energy: -823.072 where: short stacking energy: -330.132 Base-Backbone interact. energy: -2.296 local terms energy: -315.920961 where: bonds (distance) C4'-P energy: -56.906 bonds (distance) P-C4' energy: -68.434 flat angles C4'-P-C4' energy: -64.231 flat angles P-C4'-P energy: -45.816 tors. eta vs tors. theta energy: -80.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1100.004315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.004315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.004315 (E_RNA) where: Base-Base interactions energy: -781.513 where: short stacking energy: -332.490 Base-Backbone interact. energy: -1.326 local terms energy: -317.165496 where: bonds (distance) C4'-P energy: -51.329 bonds (distance) P-C4' energy: -54.644 flat angles C4'-P-C4' energy: -67.211 flat angles P-C4'-P energy: -41.767 tors. eta vs tors. theta energy: -102.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1082.880030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.880030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.880030 (E_RNA) where: Base-Base interactions energy: -756.353 where: short stacking energy: -326.492 Base-Backbone interact. energy: -1.261 local terms energy: -325.266573 where: bonds (distance) C4'-P energy: -57.411 bonds (distance) P-C4' energy: -61.614 flat angles C4'-P-C4' energy: -68.432 flat angles P-C4'-P energy: -50.876 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: 5, replica: 9 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1003.897501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.897501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.897501 (E_RNA) where: Base-Base interactions energy: -679.799 where: short stacking energy: -294.108 Base-Backbone interact. energy: -1.023 local terms energy: -323.074938 where: bonds (distance) C4'-P energy: -56.922 bonds (distance) P-C4' energy: -68.904 flat angles C4'-P-C4' energy: -65.990 flat angles P-C4'-P energy: -48.089 tors. eta vs tors. theta energy: -83.170 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: 5 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -919.586076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.586076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.586076 (E_RNA) where: Base-Base interactions energy: -615.939 where: short stacking energy: -279.639 Base-Backbone interact. energy: -0.853 local terms energy: -302.793877 where: bonds (distance) C4'-P energy: -58.789 bonds (distance) P-C4' energy: -67.181 flat angles C4'-P-C4' energy: -59.422 flat angles P-C4'-P energy: -40.606 tors. eta vs tors. theta energy: -76.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -897.385431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.385431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.385431 (E_RNA) where: Base-Base interactions energy: -621.516 where: short stacking energy: -271.377 Base-Backbone interact. energy: -0.634 local terms energy: -275.236145 where: bonds (distance) C4'-P energy: -58.357 bonds (distance) P-C4' energy: -49.939 flat angles C4'-P-C4' energy: -66.692 flat angles P-C4'-P energy: -31.441 tors. eta vs tors. theta energy: -68.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -817.439599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.439599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.439599 (E_RNA) where: Base-Base interactions energy: -545.782 where: short stacking energy: -234.429 Base-Backbone interact. energy: -0.613 local terms energy: -271.044827 where: bonds (distance) C4'-P energy: -55.963 bonds (distance) P-C4' energy: -60.266 flat angles C4'-P-C4' energy: -49.079 flat angles P-C4'-P energy: -42.895 tors. eta vs tors. theta energy: -62.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -665.544401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.544401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.544401 (E_RNA) where: Base-Base interactions energy: -421.587 where: short stacking energy: -193.884 Base-Backbone interact. energy: 2.551 local terms energy: -246.508648 where: bonds (distance) C4'-P energy: -52.909 bonds (distance) P-C4' energy: -58.590 flat angles C4'-P-C4' energy: -53.950 flat angles P-C4'-P energy: -36.232 tors. eta vs tors. theta energy: -44.826 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: 10, replica: 3 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -482.400809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.400809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.400809 (E_RNA) where: Base-Base interactions energy: -281.717 where: short stacking energy: -159.974 Base-Backbone interact. energy: -1.578 local terms energy: -199.105672 where: bonds (distance) C4'-P energy: -52.682 bonds (distance) P-C4' energy: -56.301 flat angles C4'-P-C4' energy: -49.862 flat angles P-C4'-P energy: -19.308 tors. eta vs tors. theta energy: -20.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1194.298092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.298092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.298092 (E_RNA) where: Base-Base interactions energy: -854.732 where: short stacking energy: -370.152 Base-Backbone interact. energy: -3.157 local terms energy: -336.408839 where: bonds (distance) C4'-P energy: -56.156 bonds (distance) P-C4' energy: -60.185 flat angles C4'-P-C4' energy: -77.125 flat angles P-C4'-P energy: -50.163 tors. eta vs tors. theta energy: -92.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1156.936065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.936065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.936065 (E_RNA) where: Base-Base interactions energy: -805.640 where: short stacking energy: -362.255 Base-Backbone interact. energy: -0.676 local terms energy: -350.620593 where: bonds (distance) C4'-P energy: -59.449 bonds (distance) P-C4' energy: -67.619 flat angles C4'-P-C4' energy: -72.136 flat angles P-C4'-P energy: -47.796 tors. eta vs tors. theta energy: -103.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1120.475479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.475479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.475479 (E_RNA) where: Base-Base interactions energy: -796.117 where: short stacking energy: -313.044 Base-Backbone interact. energy: -2.618 local terms energy: -321.740252 where: bonds (distance) C4'-P energy: -68.486 bonds (distance) P-C4' energy: -56.724 flat angles C4'-P-C4' energy: -70.216 flat angles P-C4'-P energy: -46.723 tors. eta vs tors. theta energy: -79.590 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: 8 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1051.410562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.410562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.410562 (E_RNA) where: Base-Base interactions energy: -741.769 where: short stacking energy: -319.300 Base-Backbone interact. energy: 2.473 local terms energy: -312.114208 where: bonds (distance) C4'-P energy: -60.096 bonds (distance) P-C4' energy: -54.971 flat angles C4'-P-C4' energy: -67.056 flat angles P-C4'-P energy: -41.270 tors. eta vs tors. theta energy: -88.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -993.150389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.150389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.150389 (E_RNA) where: Base-Base interactions energy: -683.482 where: short stacking energy: -311.654 Base-Backbone interact. energy: -0.864 local terms energy: -308.804298 where: bonds (distance) C4'-P energy: -58.042 bonds (distance) P-C4' energy: -52.462 flat angles C4'-P-C4' energy: -68.752 flat angles P-C4'-P energy: -43.718 tors. eta vs tors. theta energy: -85.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -918.590307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.590307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.590307 (E_RNA) where: Base-Base interactions energy: -650.391 where: short stacking energy: -269.595 Base-Backbone interact. energy: -2.876 local terms energy: -265.323620 where: bonds (distance) C4'-P energy: -50.236 bonds (distance) P-C4' energy: -56.003 flat angles C4'-P-C4' energy: -65.081 flat angles P-C4'-P energy: -24.226 tors. eta vs tors. theta energy: -69.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -887.617798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.617798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.617798 (E_RNA) where: Base-Base interactions energy: -588.433 where: short stacking energy: -264.023 Base-Backbone interact. energy: 0.184 local terms energy: -299.369425 where: bonds (distance) C4'-P energy: -59.655 bonds (distance) P-C4' energy: -59.632 flat angles C4'-P-C4' energy: -63.577 flat angles P-C4'-P energy: -51.428 tors. eta vs tors. theta energy: -65.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -834.475852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.475852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.475852 (E_RNA) where: Base-Base interactions energy: -570.968 where: short stacking energy: -251.506 Base-Backbone interact. energy: 0.448 local terms energy: -263.955003 where: bonds (distance) C4'-P energy: -47.597 bonds (distance) P-C4' energy: -60.369 flat angles C4'-P-C4' energy: -57.741 flat angles P-C4'-P energy: -42.570 tors. eta vs tors. theta energy: -55.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -641.844112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.844112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.844112 (E_RNA) where: Base-Base interactions energy: -413.636 where: short stacking energy: -186.252 Base-Backbone interact. energy: -1.153 local terms energy: -227.054339 where: bonds (distance) C4'-P energy: -51.018 bonds (distance) P-C4' energy: -58.699 flat angles C4'-P-C4' energy: -46.050 flat angles P-C4'-P energy: -30.896 tors. eta vs tors. theta energy: -40.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -412.976584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.976584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.976584 (E_RNA) where: Base-Base interactions energy: -215.991 where: short stacking energy: -115.856 Base-Backbone interact. energy: -1.859 local terms energy: -195.126427 where: bonds (distance) C4'-P energy: -48.069 bonds (distance) P-C4' energy: -57.027 flat angles C4'-P-C4' energy: -48.797 flat angles P-C4'-P energy: -31.425 tors. eta vs tors. theta energy: -9.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1210.401069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.401069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.401069 (E_RNA) where: Base-Base interactions energy: -857.687 where: short stacking energy: -350.909 Base-Backbone interact. energy: -3.148 local terms energy: -349.565745 where: bonds (distance) C4'-P energy: -66.446 bonds (distance) P-C4' energy: -60.417 flat angles C4'-P-C4' energy: -73.017 flat angles P-C4'-P energy: -57.978 tors. eta vs tors. theta energy: -91.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1146.474505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.474505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.474505 (E_RNA) where: Base-Base interactions energy: -795.518 where: short stacking energy: -363.514 Base-Backbone interact. energy: -2.974 local terms energy: -347.982026 where: bonds (distance) C4'-P energy: -51.399 bonds (distance) P-C4' energy: -61.413 flat angles C4'-P-C4' energy: -77.395 flat angles P-C4'-P energy: -48.369 tors. eta vs tors. theta energy: -109.406 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: 304 Temperature: 1.000000 Total energy: -1123.903344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.903344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.903344 (E_RNA) where: Base-Base interactions energy: -821.459 where: short stacking energy: -318.796 Base-Backbone interact. energy: -3.455 local terms energy: -298.989442 where: bonds (distance) C4'-P energy: -57.486 bonds (distance) P-C4' energy: -48.271 flat angles C4'-P-C4' energy: -75.164 flat angles P-C4'-P energy: -37.983 tors. eta vs tors. theta energy: -80.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1052.160485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.160485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.160485 (E_RNA) where: Base-Base interactions energy: -746.041 where: short stacking energy: -319.163 Base-Backbone interact. energy: -1.106 local terms energy: -305.013527 where: bonds (distance) C4'-P energy: -55.352 bonds (distance) P-C4' energy: -58.125 flat angles C4'-P-C4' energy: -66.386 flat angles P-C4'-P energy: -50.910 tors. eta vs tors. theta energy: -74.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -999.999824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.999824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.999824 (E_RNA) where: Base-Base interactions energy: -706.652 where: short stacking energy: -319.956 Base-Backbone interact. energy: -2.258 local terms energy: -291.090036 where: bonds (distance) C4'-P energy: -53.613 bonds (distance) P-C4' energy: -50.754 flat angles C4'-P-C4' energy: -67.597 flat angles P-C4'-P energy: -31.207 tors. eta vs tors. theta energy: -87.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -956.830390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.830390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.830390 (E_RNA) where: Base-Base interactions energy: -666.039 where: short stacking energy: -254.085 Base-Backbone interact. energy: -2.584 local terms energy: -288.207340 where: bonds (distance) C4'-P energy: -57.664 bonds (distance) P-C4' energy: -57.788 flat angles C4'-P-C4' energy: -68.186 flat angles P-C4'-P energy: -39.692 tors. eta vs tors. theta energy: -64.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -912.264791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.264791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.264791 (E_RNA) where: Base-Base interactions energy: -631.847 where: short stacking energy: -273.760 Base-Backbone interact. energy: -1.383 local terms energy: -279.035329 where: bonds (distance) C4'-P energy: -53.965 bonds (distance) P-C4' energy: -66.044 flat angles C4'-P-C4' energy: -61.705 flat angles P-C4'-P energy: -30.481 tors. eta vs tors. theta energy: -66.839 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: 5 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -861.406401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.406401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.406401 (E_RNA) where: Base-Base interactions energy: -589.183 where: short stacking energy: -273.174 Base-Backbone interact. energy: -0.359 local terms energy: -271.864792 where: bonds (distance) C4'-P energy: -47.922 bonds (distance) P-C4' energy: -60.946 flat angles C4'-P-C4' energy: -54.265 flat angles P-C4'-P energy: -35.113 tors. eta vs tors. theta energy: -73.618 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: 2 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -597.641893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.641893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.641893 (E_RNA) where: Base-Base interactions energy: -382.470 where: short stacking energy: -198.019 Base-Backbone interact. energy: 2.209 local terms energy: -217.381261 where: bonds (distance) C4'-P energy: -54.401 bonds (distance) P-C4' energy: -46.440 flat angles C4'-P-C4' energy: -55.439 flat angles P-C4'-P energy: -33.321 tors. eta vs tors. theta energy: -27.781 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: 3 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -409.367781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.367781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.367781 (E_RNA) where: Base-Base interactions energy: -194.249 where: short stacking energy: -115.796 Base-Backbone interact. energy: 1.000 local terms energy: -216.118423 where: bonds (distance) C4'-P energy: -67.322 bonds (distance) P-C4' energy: -44.521 flat angles C4'-P-C4' energy: -59.352 flat angles P-C4'-P energy: -36.119 tors. eta vs tors. theta energy: -8.805 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: 10 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1183.817592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.817592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.817592 (E_RNA) where: Base-Base interactions energy: -849.153 where: short stacking energy: -353.753 Base-Backbone interact. energy: -1.267 local terms energy: -333.397776 where: bonds (distance) C4'-P energy: -52.004 bonds (distance) P-C4' energy: -61.454 flat angles C4'-P-C4' energy: -78.861 flat angles P-C4'-P energy: -52.191 tors. eta vs tors. theta energy: -88.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1141.877873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.877873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.877873 (E_RNA) where: Base-Base interactions energy: -814.053 where: short stacking energy: -322.105 Base-Backbone interact. energy: -0.315 local terms energy: -327.509940 where: bonds (distance) C4'-P energy: -62.445 bonds (distance) P-C4' energy: -61.771 flat angles C4'-P-C4' energy: -71.433 flat angles P-C4'-P energy: -44.351 tors. eta vs tors. theta energy: -87.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1141.427275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.427275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.427275 (E_RNA) where: Base-Base interactions energy: -779.420 where: short stacking energy: -354.707 Base-Backbone interact. energy: -0.473 local terms energy: -361.534225 where: bonds (distance) C4'-P energy: -63.664 bonds (distance) P-C4' energy: -68.194 flat angles C4'-P-C4' energy: -72.766 flat angles P-C4'-P energy: -54.843 tors. eta vs tors. theta energy: -102.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1074.741048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.741048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.741048 (E_RNA) where: Base-Base interactions energy: -767.175 where: short stacking energy: -336.419 Base-Backbone interact. energy: -1.176 local terms energy: -306.389800 where: bonds (distance) C4'-P energy: -52.059 bonds (distance) P-C4' energy: -61.096 flat angles C4'-P-C4' energy: -62.612 flat angles P-C4'-P energy: -52.403 tors. eta vs tors. theta energy: -78.220 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: 5, replica: 9 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -996.503498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.503498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.503498 (E_RNA) where: Base-Base interactions energy: -689.460 where: short stacking energy: -301.918 Base-Backbone interact. energy: -2.305 local terms energy: -304.738698 where: bonds (distance) C4'-P energy: -60.914 bonds (distance) P-C4' energy: -57.110 flat angles C4'-P-C4' energy: -64.065 flat angles P-C4'-P energy: -42.231 tors. eta vs tors. theta energy: -80.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -916.262554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.262554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.262554 (E_RNA) where: Base-Base interactions energy: -644.192 where: short stacking energy: -283.547 Base-Backbone interact. energy: 2.515 local terms energy: -274.585133 where: bonds (distance) C4'-P energy: -56.433 bonds (distance) P-C4' energy: -50.686 flat angles C4'-P-C4' energy: -71.574 flat angles P-C4'-P energy: -32.125 tors. eta vs tors. theta energy: -63.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -886.053479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.053479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.053479 (E_RNA) where: Base-Base interactions energy: -612.555 where: short stacking energy: -252.956 Base-Backbone interact. energy: -0.501 local terms energy: -272.997405 where: bonds (distance) C4'-P energy: -55.488 bonds (distance) P-C4' energy: -51.256 flat angles C4'-P-C4' energy: -55.455 flat angles P-C4'-P energy: -45.030 tors. eta vs tors. theta energy: -65.769 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: 5 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -852.980522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.980522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.980522 (E_RNA) where: Base-Base interactions energy: -577.480 where: short stacking energy: -234.746 Base-Backbone interact. energy: -0.069 local terms energy: -275.431007 where: bonds (distance) C4'-P energy: -59.817 bonds (distance) P-C4' energy: -50.491 flat angles C4'-P-C4' energy: -59.240 flat angles P-C4'-P energy: -44.427 tors. eta vs tors. theta energy: -61.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -634.755741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.755741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.755741 (E_RNA) where: Base-Base interactions energy: -408.199 where: short stacking energy: -185.357 Base-Backbone interact. energy: -0.946 local terms energy: -225.610154 where: bonds (distance) C4'-P energy: -49.856 bonds (distance) P-C4' energy: -54.311 flat angles C4'-P-C4' energy: -46.917 flat angles P-C4'-P energy: -38.790 tors. eta vs tors. theta energy: -35.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -379.255089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.255089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.255089 (E_RNA) where: Base-Base interactions energy: -203.570 where: short stacking energy: -108.095 Base-Backbone interact. energy: 0.993 local terms energy: -176.678409 where: bonds (distance) C4'-P energy: -48.318 bonds (distance) P-C4' energy: -54.029 flat angles C4'-P-C4' energy: -58.015 flat angles P-C4'-P energy: -17.370 tors. eta vs tors. theta energy: 1.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1191.362783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.362783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.362783 (E_RNA) where: Base-Base interactions energy: -840.902 where: short stacking energy: -359.367 Base-Backbone interact. energy: -1.811 local terms energy: -348.649062 where: bonds (distance) C4'-P energy: -65.301 bonds (distance) P-C4' energy: -67.209 flat angles C4'-P-C4' energy: -73.850 flat angles P-C4'-P energy: -49.505 tors. eta vs tors. theta energy: -92.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1156.279820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.279820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.279820 (E_RNA) where: Base-Base interactions energy: -825.578 where: short stacking energy: -315.229 Base-Backbone interact. energy: -2.519 local terms energy: -328.182307 where: bonds (distance) C4'-P energy: -58.334 bonds (distance) P-C4' energy: -61.985 flat angles C4'-P-C4' energy: -76.705 flat angles P-C4'-P energy: -47.086 tors. eta vs tors. theta energy: -84.073 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: 3, replica: 4 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1128.034790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.034790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.034790 (E_RNA) where: Base-Base interactions energy: -784.920 where: short stacking energy: -347.435 Base-Backbone interact. energy: -0.579 local terms energy: -342.535792 where: bonds (distance) C4'-P energy: -52.086 bonds (distance) P-C4' energy: -71.434 flat angles C4'-P-C4' energy: -78.772 flat angles P-C4'-P energy: -46.476 tors. eta vs tors. theta energy: -93.767 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: 306 Temperature: 1.050000 Total energy: -1052.556402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.556402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.556402 (E_RNA) where: Base-Base interactions energy: -752.817 where: short stacking energy: -328.055 Base-Backbone interact. energy: -0.570 local terms energy: -299.168865 where: bonds (distance) C4'-P energy: -47.407 bonds (distance) P-C4' energy: -58.888 flat angles C4'-P-C4' energy: -69.868 flat angles P-C4'-P energy: -42.759 tors. eta vs tors. theta energy: -80.247 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: 9 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -962.610118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.610118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.610118 (E_RNA) where: Base-Base interactions energy: -662.466 where: short stacking energy: -282.965 Base-Backbone interact. energy: -1.515 local terms energy: -298.629336 where: bonds (distance) C4'-P energy: -55.204 bonds (distance) P-C4' energy: -56.593 flat angles C4'-P-C4' energy: -72.946 flat angles P-C4'-P energy: -42.404 tors. eta vs tors. theta energy: -71.482 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: 7 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -930.867665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.867665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.867665 (E_RNA) where: Base-Base interactions energy: -652.913 where: short stacking energy: -273.743 Base-Backbone interact. energy: 2.221 local terms energy: -280.176272 where: bonds (distance) C4'-P energy: -39.656 bonds (distance) P-C4' energy: -53.686 flat angles C4'-P-C4' energy: -67.722 flat angles P-C4'-P energy: -46.249 tors. eta vs tors. theta energy: -72.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -887.064947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.064947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.064947 (E_RNA) where: Base-Base interactions energy: -603.167 where: short stacking energy: -256.837 Base-Backbone interact. energy: -0.344 local terms energy: -283.554136 where: bonds (distance) C4'-P energy: -59.180 bonds (distance) P-C4' energy: -60.558 flat angles C4'-P-C4' energy: -57.632 flat angles P-C4'-P energy: -48.040 tors. eta vs tors. theta energy: -58.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -854.543687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.543687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.543687 (E_RNA) where: Base-Base interactions energy: -576.336 where: short stacking energy: -256.417 Base-Backbone interact. energy: -2.184 local terms energy: -276.023073 where: bonds (distance) C4'-P energy: -48.958 bonds (distance) P-C4' energy: -65.369 flat angles C4'-P-C4' energy: -61.877 flat angles P-C4'-P energy: -34.413 tors. eta vs tors. theta energy: -65.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -615.165912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.165912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.165912 (E_RNA) where: Base-Base interactions energy: -393.514 where: short stacking energy: -180.017 Base-Backbone interact. energy: 0.016 local terms energy: -221.668580 where: bonds (distance) C4'-P energy: -51.672 bonds (distance) P-C4' energy: -62.155 flat angles C4'-P-C4' energy: -49.648 flat angles P-C4'-P energy: -22.576 tors. eta vs tors. theta energy: -35.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -383.853262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.853262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.853262 (E_RNA) where: Base-Base interactions energy: -201.132 where: short stacking energy: -127.714 Base-Backbone interact. energy: -0.541 local terms energy: -182.180650 where: bonds (distance) C4'-P energy: -45.006 bonds (distance) P-C4' energy: -45.070 flat angles C4'-P-C4' energy: -47.850 flat angles P-C4'-P energy: -31.432 tors. eta vs tors. theta energy: -12.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1177.874465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.874465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.874465 (E_RNA) where: Base-Base interactions energy: -837.984 where: short stacking energy: -348.770 Base-Backbone interact. energy: -0.416 local terms energy: -339.474688 where: bonds (distance) C4'-P energy: -60.186 bonds (distance) P-C4' energy: -62.352 flat angles C4'-P-C4' energy: -78.835 flat angles P-C4'-P energy: -45.328 tors. eta vs tors. theta energy: -92.773 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: 307 Temperature: 0.950000 Total energy: -1145.852931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.852931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.852931 (E_RNA) where: Base-Base interactions energy: -794.628 where: short stacking energy: -340.392 Base-Backbone interact. energy: -0.813 local terms energy: -350.412441 where: bonds (distance) C4'-P energy: -60.368 bonds (distance) P-C4' energy: -64.297 flat angles C4'-P-C4' energy: -74.656 flat angles P-C4'-P energy: -44.459 tors. eta vs tors. theta energy: -106.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1124.830058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.830058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.830058 (E_RNA) where: Base-Base interactions energy: -803.356 where: short stacking energy: -309.870 Base-Backbone interact. energy: 0.321 local terms energy: -321.794627 where: bonds (distance) C4'-P energy: -60.440 bonds (distance) P-C4' energy: -67.216 flat angles C4'-P-C4' energy: -66.618 flat angles P-C4'-P energy: -47.640 tors. eta vs tors. theta energy: -79.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -980.278720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.278720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.278720 (E_RNA) where: Base-Base interactions energy: -689.984 where: short stacking energy: -291.176 Base-Backbone interact. energy: 1.609 local terms energy: -291.904223 where: bonds (distance) C4'-P energy: -59.271 bonds (distance) P-C4' energy: -59.706 flat angles C4'-P-C4' energy: -62.925 flat angles P-C4'-P energy: -39.430 tors. eta vs tors. theta energy: -70.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -985.680415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.680415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.680415 (E_RNA) where: Base-Base interactions energy: -698.544 where: short stacking energy: -304.302 Base-Backbone interact. energy: -2.301 local terms energy: -284.835627 where: bonds (distance) C4'-P energy: -51.472 bonds (distance) P-C4' energy: -59.369 flat angles C4'-P-C4' energy: -61.974 flat angles P-C4'-P energy: -36.282 tors. eta vs tors. theta energy: -75.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -959.097455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.097455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.097455 (E_RNA) where: Base-Base interactions energy: -661.883 where: short stacking energy: -299.133 Base-Backbone interact. energy: -2.422 local terms energy: -294.792783 where: bonds (distance) C4'-P energy: -58.481 bonds (distance) P-C4' energy: -57.089 flat angles C4'-P-C4' energy: -59.589 flat angles P-C4'-P energy: -45.332 tors. eta vs tors. theta energy: -74.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -879.680382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.680382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.680382 (E_RNA) where: Base-Base interactions energy: -642.823 where: short stacking energy: -250.161 Base-Backbone interact. energy: -0.942 local terms energy: -235.915565 where: bonds (distance) C4'-P energy: -36.375 bonds (distance) P-C4' energy: -56.440 flat angles C4'-P-C4' energy: -50.864 flat angles P-C4'-P energy: -33.639 tors. eta vs tors. theta energy: -58.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -845.782629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.782629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.782629 (E_RNA) where: Base-Base interactions energy: -598.760 where: short stacking energy: -275.534 Base-Backbone interact. energy: 2.888 local terms energy: -249.910191 where: bonds (distance) C4'-P energy: -49.694 bonds (distance) P-C4' energy: -65.686 flat angles C4'-P-C4' energy: -43.602 flat angles P-C4'-P energy: -23.767 tors. eta vs tors. theta energy: -67.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -629.883581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.883581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.883581 (E_RNA) where: Base-Base interactions energy: -388.277 where: short stacking energy: -196.897 Base-Backbone interact. energy: 0.004 local terms energy: -241.611533 where: bonds (distance) C4'-P energy: -46.545 bonds (distance) P-C4' energy: -52.964 flat angles C4'-P-C4' energy: -57.087 flat angles P-C4'-P energy: -37.682 tors. eta vs tors. theta energy: -47.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -433.946192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.946192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.946192 (E_RNA) where: Base-Base interactions energy: -234.824 where: short stacking energy: -119.520 Base-Backbone interact. energy: -1.410 local terms energy: -197.711992 where: bonds (distance) C4'-P energy: -53.764 bonds (distance) P-C4' energy: -58.040 flat angles C4'-P-C4' energy: -48.689 flat angles P-C4'-P energy: -14.791 tors. eta vs tors. theta energy: -22.428 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: 10 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1191.531589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.531589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.531589 (E_RNA) where: Base-Base interactions energy: -837.822 where: short stacking energy: -364.579 Base-Backbone interact. energy: -1.851 local terms energy: -351.858566 where: bonds (distance) C4'-P energy: -68.897 bonds (distance) P-C4' energy: -62.760 flat angles C4'-P-C4' energy: -75.952 flat angles P-C4'-P energy: -49.498 tors. eta vs tors. theta energy: -94.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1153.705433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.705433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.705433 (E_RNA) where: Base-Base interactions energy: -809.545 where: short stacking energy: -355.700 Base-Backbone interact. energy: 0.086 local terms energy: -344.246726 where: bonds (distance) C4'-P energy: -56.218 bonds (distance) P-C4' energy: -64.157 flat angles C4'-P-C4' energy: -70.167 flat angles P-C4'-P energy: -53.335 tors. eta vs tors. theta energy: -100.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1128.931773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.931773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.931773 (E_RNA) where: Base-Base interactions energy: -796.377 where: short stacking energy: -320.292 Base-Backbone interact. energy: -3.027 local terms energy: -329.527993 where: bonds (distance) C4'-P energy: -55.434 bonds (distance) P-C4' energy: -66.773 flat angles C4'-P-C4' energy: -74.717 flat angles P-C4'-P energy: -45.560 tors. eta vs tors. theta energy: -87.044 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: 9 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1012.874512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.874512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.874512 (E_RNA) where: Base-Base interactions energy: -708.527 where: short stacking energy: -300.463 Base-Backbone interact. energy: 0.693 local terms energy: -305.040873 where: bonds (distance) C4'-P energy: -52.836 bonds (distance) P-C4' energy: -63.073 flat angles C4'-P-C4' energy: -63.109 flat angles P-C4'-P energy: -42.903 tors. eta vs tors. theta energy: -83.120 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: 8 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -969.158740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.158740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.158740 (E_RNA) where: Base-Base interactions energy: -673.741 where: short stacking energy: -288.136 Base-Backbone interact. energy: 0.066 local terms energy: -295.484319 where: bonds (distance) C4'-P energy: -59.742 bonds (distance) P-C4' energy: -64.389 flat angles C4'-P-C4' energy: -60.454 flat angles P-C4'-P energy: -42.047 tors. eta vs tors. theta energy: -68.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -925.200427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.200427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.200427 (E_RNA) where: Base-Base interactions energy: -633.820 where: short stacking energy: -263.589 Base-Backbone interact. energy: -0.739 local terms energy: -290.640980 where: bonds (distance) C4'-P energy: -49.247 bonds (distance) P-C4' energy: -58.341 flat angles C4'-P-C4' energy: -71.924 flat angles P-C4'-P energy: -37.825 tors. eta vs tors. theta energy: -73.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -880.291780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.291780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.291780 (E_RNA) where: Base-Base interactions energy: -619.388 where: short stacking energy: -245.090 Base-Backbone interact. energy: -0.403 local terms energy: -260.501095 where: bonds (distance) C4'-P energy: -56.858 bonds (distance) P-C4' energy: -55.276 flat angles C4'-P-C4' energy: -66.376 flat angles P-C4'-P energy: -27.209 tors. eta vs tors. theta energy: -54.783 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: 5 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -834.514648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.514648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.514648 (E_RNA) where: Base-Base interactions energy: -594.468 where: short stacking energy: -260.508 Base-Backbone interact. energy: -0.922 local terms energy: -239.124242 where: bonds (distance) C4'-P energy: -37.243 bonds (distance) P-C4' energy: -49.381 flat angles C4'-P-C4' energy: -47.286 flat angles P-C4'-P energy: -44.098 tors. eta vs tors. theta energy: -61.116 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: 2 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -638.465989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.465989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.465989 (E_RNA) where: Base-Base interactions energy: -397.809 where: short stacking energy: -197.254 Base-Backbone interact. energy: -0.920 local terms energy: -239.737063 where: bonds (distance) C4'-P energy: -47.532 bonds (distance) P-C4' energy: -60.652 flat angles C4'-P-C4' energy: -53.656 flat angles P-C4'-P energy: -37.395 tors. eta vs tors. theta energy: -40.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -373.325258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.325258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.325258 (E_RNA) where: Base-Base interactions energy: -207.363 where: short stacking energy: -106.108 Base-Backbone interact. energy: 0.865 local terms energy: -166.826848 where: bonds (distance) C4'-P energy: -48.460 bonds (distance) P-C4' energy: -45.204 flat angles C4'-P-C4' energy: -50.115 flat angles P-C4'-P energy: -25.073 tors. eta vs tors. theta energy: 2.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1192.023853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.023853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.023853 (E_RNA) where: Base-Base interactions energy: -836.619 where: short stacking energy: -348.004 Base-Backbone interact. energy: -4.286 local terms energy: -351.118441 where: bonds (distance) C4'-P energy: -63.928 bonds (distance) P-C4' energy: -65.198 flat angles C4'-P-C4' energy: -80.932 flat angles P-C4'-P energy: -44.140 tors. eta vs tors. theta energy: -96.921 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: 2, replica: 4 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1179.204561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.204561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.204561 (E_RNA) where: Base-Base interactions energy: -819.595 where: short stacking energy: -357.012 Base-Backbone interact. energy: -0.993 local terms energy: -358.616559 where: bonds (distance) C4'-P energy: -63.642 bonds (distance) P-C4' energy: -67.759 flat angles C4'-P-C4' energy: -72.494 flat angles P-C4'-P energy: -47.231 tors. eta vs tors. theta energy: -107.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1131.381526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.381526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.381526 (E_RNA) where: Base-Base interactions energy: -808.856 where: short stacking energy: -325.875 Base-Backbone interact. energy: -2.917 local terms energy: -319.608133 where: bonds (distance) C4'-P energy: -57.023 bonds (distance) P-C4' energy: -59.315 flat angles C4'-P-C4' energy: -72.237 flat angles P-C4'-P energy: -48.901 tors. eta vs tors. theta energy: -82.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1032.286440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.286440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.286440 (E_RNA) where: Base-Base interactions energy: -734.227 where: short stacking energy: -324.177 Base-Backbone interact. energy: -2.676 local terms energy: -295.382990 where: bonds (distance) C4'-P energy: -53.682 bonds (distance) P-C4' energy: -52.884 flat angles C4'-P-C4' energy: -62.640 flat angles P-C4'-P energy: -41.880 tors. eta vs tors. theta energy: -84.297 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: 8 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -942.845151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.845151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.845151 (E_RNA) where: Base-Base interactions energy: -659.988 where: short stacking energy: -277.702 Base-Backbone interact. energy: -0.417 local terms energy: -282.439460 where: bonds (distance) C4'-P energy: -55.382 bonds (distance) P-C4' energy: -62.173 flat angles C4'-P-C4' energy: -57.637 flat angles P-C4'-P energy: -35.507 tors. eta vs tors. theta energy: -71.740 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: 6 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -961.395358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.395358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.395358 (E_RNA) where: Base-Base interactions energy: -674.905 where: short stacking energy: -262.740 Base-Backbone interact. energy: -3.261 local terms energy: -283.228720 where: bonds (distance) C4'-P energy: -54.187 bonds (distance) P-C4' energy: -56.120 flat angles C4'-P-C4' energy: -61.539 flat angles P-C4'-P energy: -42.126 tors. eta vs tors. theta energy: -69.257 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: 7 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -939.590829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.590829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.590829 (E_RNA) where: Base-Base interactions energy: -646.229 where: short stacking energy: -275.858 Base-Backbone interact. energy: -0.185 local terms energy: -293.177179 where: bonds (distance) C4'-P energy: -55.080 bonds (distance) P-C4' energy: -64.748 flat angles C4'-P-C4' energy: -68.356 flat angles P-C4'-P energy: -33.779 tors. eta vs tors. theta energy: -71.214 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: 5 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -835.217244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.217244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.217244 (E_RNA) where: Base-Base interactions energy: -568.834 where: short stacking energy: -258.882 Base-Backbone interact. energy: -1.248 local terms energy: -265.135341 where: bonds (distance) C4'-P energy: -53.775 bonds (distance) P-C4' energy: -64.117 flat angles C4'-P-C4' energy: -57.447 flat angles P-C4'-P energy: -30.334 tors. eta vs tors. theta energy: -59.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -646.164047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.164047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.164047 (E_RNA) where: Base-Base interactions energy: -404.888 where: short stacking energy: -178.872 Base-Backbone interact. energy: -0.685 local terms energy: -240.590796 where: bonds (distance) C4'-P energy: -60.612 bonds (distance) P-C4' energy: -52.253 flat angles C4'-P-C4' energy: -54.892 flat angles P-C4'-P energy: -39.240 tors. eta vs tors. theta energy: -33.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -417.105703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.105703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.105703 (E_RNA) where: Base-Base interactions energy: -222.886 where: short stacking energy: -115.413 Base-Backbone interact. energy: 2.743 local terms energy: -196.963004 where: bonds (distance) C4'-P energy: -63.407 bonds (distance) P-C4' energy: -53.012 flat angles C4'-P-C4' energy: -46.446 flat angles P-C4'-P energy: -43.893 tors. eta vs tors. theta energy: 9.795 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: 1, replica: 10 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1191.614846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.614846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.614846 (E_RNA) where: Base-Base interactions energy: -835.509 where: short stacking energy: -357.487 Base-Backbone interact. energy: -1.672 local terms energy: -354.433867 where: bonds (distance) C4'-P energy: -73.938 bonds (distance) P-C4' energy: -62.061 flat angles C4'-P-C4' energy: -73.907 flat angles P-C4'-P energy: -50.696 tors. eta vs tors. theta energy: -93.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1163.798638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.798638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.798638 (E_RNA) where: Base-Base interactions energy: -802.671 where: short stacking energy: -358.264 Base-Backbone interact. energy: -1.212 local terms energy: -359.915787 where: bonds (distance) C4'-P energy: -61.544 bonds (distance) P-C4' energy: -66.123 flat angles C4'-P-C4' energy: -78.290 flat angles P-C4'-P energy: -46.553 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: 3, replica: 1 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1140.745129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.745129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.745129 (E_RNA) where: Base-Base interactions energy: -819.015 where: short stacking energy: -334.212 Base-Backbone interact. energy: -3.707 local terms energy: -318.023192 where: bonds (distance) C4'-P energy: -55.409 bonds (distance) P-C4' energy: -59.078 flat angles C4'-P-C4' energy: -72.028 flat angles P-C4'-P energy: -47.771 tors. eta vs tors. theta energy: -83.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1026.084557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.084557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.084557 (E_RNA) where: Base-Base interactions energy: -706.259 where: short stacking energy: -310.058 Base-Backbone interact. energy: 0.837 local terms energy: -320.662638 where: bonds (distance) C4'-P energy: -60.613 bonds (distance) P-C4' energy: -58.946 flat angles C4'-P-C4' energy: -67.438 flat angles P-C4'-P energy: -47.940 tors. eta vs tors. theta energy: -85.725 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: 8 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -968.373110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.373110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.373110 (E_RNA) where: Base-Base interactions energy: -660.101 where: short stacking energy: -291.687 Base-Backbone interact. energy: -1.657 local terms energy: -306.615369 where: bonds (distance) C4'-P energy: -58.079 bonds (distance) P-C4' energy: -63.824 flat angles C4'-P-C4' energy: -67.341 flat angles P-C4'-P energy: -38.194 tors. eta vs tors. theta energy: -79.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -980.526137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.526137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.526137 (E_RNA) where: Base-Base interactions energy: -676.400 where: short stacking energy: -278.637 Base-Backbone interact. energy: -1.439 local terms energy: -302.687903 where: bonds (distance) C4'-P energy: -57.115 bonds (distance) P-C4' energy: -52.268 flat angles C4'-P-C4' energy: -64.385 flat angles P-C4'-P energy: -51.585 tors. eta vs tors. theta energy: -77.334 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: 7 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -896.815319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.815319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.815319 (E_RNA) where: Base-Base interactions energy: -631.327 where: short stacking energy: -273.079 Base-Backbone interact. energy: -1.575 local terms energy: -263.913676 where: bonds (distance) C4'-P energy: -52.185 bonds (distance) P-C4' energy: -61.729 flat angles C4'-P-C4' energy: -63.427 flat angles P-C4'-P energy: -24.260 tors. eta vs tors. theta energy: -62.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -850.384767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.384767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.384767 (E_RNA) where: Base-Base interactions energy: -594.331 where: short stacking energy: -262.926 Base-Backbone interact. energy: 0.116 local terms energy: -256.170379 where: bonds (distance) C4'-P energy: -56.165 bonds (distance) P-C4' energy: -43.195 flat angles C4'-P-C4' energy: -58.907 flat angles P-C4'-P energy: -39.592 tors. eta vs tors. theta energy: -58.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -635.133409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.133409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.133409 (E_RNA) where: Base-Base interactions energy: -397.955 where: short stacking energy: -156.824 Base-Backbone interact. energy: -1.466 local terms energy: -235.712496 where: bonds (distance) C4'-P energy: -59.235 bonds (distance) P-C4' energy: -58.754 flat angles C4'-P-C4' energy: -53.793 flat angles P-C4'-P energy: -40.259 tors. eta vs tors. theta energy: -23.672 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: 310 Temperature: 1.350000 Total energy: -407.664583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.664583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.664583 (E_RNA) where: Base-Base interactions energy: -214.452 where: short stacking energy: -124.869 Base-Backbone interact. energy: -2.023 local terms energy: -191.189469 where: bonds (distance) C4'-P energy: -45.074 bonds (distance) P-C4' energy: -58.252 flat angles C4'-P-C4' energy: -46.835 flat angles P-C4'-P energy: -26.738 tors. eta vs tors. theta energy: -14.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1196.440560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.440560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.440560 (E_RNA) where: Base-Base interactions energy: -846.710 where: short stacking energy: -363.470 Base-Backbone interact. energy: -1.663 local terms energy: -348.068056 where: bonds (distance) C4'-P energy: -64.562 bonds (distance) P-C4' energy: -62.493 flat angles C4'-P-C4' energy: -75.866 flat angles P-C4'-P energy: -52.662 tors. eta vs tors. theta energy: -92.486 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: 4 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1170.157624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.157624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.157624 (E_RNA) where: Base-Base interactions energy: -806.015 where: short stacking energy: -353.173 Base-Backbone interact. energy: -1.580 local terms energy: -362.561757 where: bonds (distance) C4'-P energy: -69.082 bonds (distance) P-C4' energy: -67.934 flat angles C4'-P-C4' energy: -81.775 flat angles P-C4'-P energy: -44.751 tors. eta vs tors. theta energy: -99.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1127.245001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.245001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.245001 (E_RNA) where: Base-Base interactions energy: -812.693 where: short stacking energy: -309.426 Base-Backbone interact. energy: -3.533 local terms energy: -311.018524 where: bonds (distance) C4'-P energy: -52.816 bonds (distance) P-C4' energy: -72.200 flat angles C4'-P-C4' energy: -73.696 flat angles P-C4'-P energy: -35.068 tors. eta vs tors. theta energy: -77.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1037.237837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.237837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.237837 (E_RNA) where: Base-Base interactions energy: -711.788 where: short stacking energy: -319.376 Base-Backbone interact. energy: -0.285 local terms energy: -325.164360 where: bonds (distance) C4'-P energy: -64.258 bonds (distance) P-C4' energy: -58.628 flat angles C4'-P-C4' energy: -66.183 flat angles P-C4'-P energy: -48.076 tors. eta vs tors. theta energy: -88.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -979.367484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.367484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.367484 (E_RNA) where: Base-Base interactions energy: -680.632 where: short stacking energy: -300.984 Base-Backbone interact. energy: -1.255 local terms energy: -297.480749 where: bonds (distance) C4'-P energy: -47.499 bonds (distance) P-C4' energy: -54.542 flat angles C4'-P-C4' energy: -73.034 flat angles P-C4'-P energy: -39.557 tors. eta vs tors. theta energy: -82.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -944.072469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.072469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.072469 (E_RNA) where: Base-Base interactions energy: -678.200 where: short stacking energy: -269.083 Base-Backbone interact. energy: -2.085 local terms energy: -263.787567 where: bonds (distance) C4'-P energy: -44.778 bonds (distance) P-C4' energy: -57.750 flat angles C4'-P-C4' energy: -61.484 flat angles P-C4'-P energy: -31.839 tors. eta vs tors. theta energy: -67.937 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: 7 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -850.572753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.572753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.572753 (E_RNA) where: Base-Base interactions energy: -595.230 where: short stacking energy: -244.161 Base-Backbone interact. energy: -1.056 local terms energy: -254.287063 where: bonds (distance) C4'-P energy: -37.618 bonds (distance) P-C4' energy: -55.901 flat angles C4'-P-C4' energy: -65.131 flat angles P-C4'-P energy: -42.154 tors. eta vs tors. theta energy: -53.484 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: 8, replica: 5 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -832.795340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.795340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.795340 (E_RNA) where: Base-Base interactions energy: -567.450 where: short stacking energy: -239.634 Base-Backbone interact. energy: 1.972 local terms energy: -267.317474 where: bonds (distance) C4'-P energy: -43.273 bonds (distance) P-C4' energy: -56.673 flat angles C4'-P-C4' energy: -56.186 flat angles P-C4'-P energy: -49.721 tors. eta vs tors. theta energy: -61.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -663.275808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.275808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.275808 (E_RNA) where: Base-Base interactions energy: -424.031 where: short stacking energy: -201.470 Base-Backbone interact. energy: 1.263 local terms energy: -240.508301 where: bonds (distance) C4'-P energy: -52.201 bonds (distance) P-C4' energy: -60.574 flat angles C4'-P-C4' energy: -55.979 flat angles P-C4'-P energy: -32.500 tors. eta vs tors. theta energy: -39.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -429.603799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.603799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.603799 (E_RNA) where: Base-Base interactions energy: -250.572 where: short stacking energy: -138.079 Base-Backbone interact. energy: 4.114 local terms energy: -183.145888 where: bonds (distance) C4'-P energy: -55.204 bonds (distance) P-C4' energy: -48.140 flat angles C4'-P-C4' energy: -46.200 flat angles P-C4'-P energy: -16.992 tors. eta vs tors. theta energy: -16.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1184.671097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.671097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.671097 (E_RNA) where: Base-Base interactions energy: -828.250 where: short stacking energy: -365.523 Base-Backbone interact. energy: -1.588 local terms energy: -354.832884 where: bonds (distance) C4'-P energy: -65.868 bonds (distance) P-C4' energy: -63.257 flat angles C4'-P-C4' energy: -73.611 flat angles P-C4'-P energy: -51.389 tors. eta vs tors. theta energy: -100.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1172.654045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.654045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.654045 (E_RNA) where: Base-Base interactions energy: -827.082 where: short stacking energy: -359.624 Base-Backbone interact. energy: 1.114 local terms energy: -346.686193 where: bonds (distance) C4'-P energy: -59.046 bonds (distance) P-C4' energy: -64.884 flat angles C4'-P-C4' energy: -74.849 flat angles P-C4'-P energy: -46.514 tors. eta vs tors. theta energy: -101.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1116.174210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.174210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.174210 (E_RNA) where: Base-Base interactions energy: -804.771 where: short stacking energy: -307.387 Base-Backbone interact. energy: -2.341 local terms energy: -309.062165 where: bonds (distance) C4'-P energy: -55.601 bonds (distance) P-C4' energy: -64.644 flat angles C4'-P-C4' energy: -69.578 flat angles P-C4'-P energy: -41.231 tors. eta vs tors. theta energy: -78.008 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: 4, replica: 9 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1028.713562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.713562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.713562 (E_RNA) where: Base-Base interactions energy: -707.970 where: short stacking energy: -296.117 Base-Backbone interact. energy: -2.163 local terms energy: -318.580185 where: bonds (distance) C4'-P energy: -60.177 bonds (distance) P-C4' energy: -61.771 flat angles C4'-P-C4' energy: -70.213 flat angles P-C4'-P energy: -45.083 tors. eta vs tors. theta energy: -81.336 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: 8 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -985.852604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.852604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.852604 (E_RNA) where: Base-Base interactions energy: -690.532 where: short stacking energy: -303.270 Base-Backbone interact. energy: -1.114 local terms energy: -294.206767 where: bonds (distance) C4'-P energy: -53.542 bonds (distance) P-C4' energy: -70.376 flat angles C4'-P-C4' energy: -60.312 flat angles P-C4'-P energy: -35.451 tors. eta vs tors. theta energy: -74.526 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: 6 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -937.456593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.456593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.456593 (E_RNA) where: Base-Base interactions energy: -649.759 where: short stacking energy: -261.706 Base-Backbone interact. energy: -4.959 local terms energy: -282.738569 where: bonds (distance) C4'-P energy: -44.660 bonds (distance) P-C4' energy: -62.122 flat angles C4'-P-C4' energy: -65.135 flat angles P-C4'-P energy: -45.119 tors. eta vs tors. theta energy: -65.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -859.823545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.823545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.823545 (E_RNA) where: Base-Base interactions energy: -596.197 where: short stacking energy: -260.625 Base-Backbone interact. energy: -1.670 local terms energy: -261.956477 where: bonds (distance) C4'-P energy: -50.958 bonds (distance) P-C4' energy: -54.905 flat angles C4'-P-C4' energy: -66.936 flat angles P-C4'-P energy: -30.384 tors. eta vs tors. theta energy: -58.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -839.447799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.447799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.447799 (E_RNA) where: Base-Base interactions energy: -575.249 where: short stacking energy: -255.187 Base-Backbone interact. energy: 2.907 local terms energy: -267.105703 where: bonds (distance) C4'-P energy: -49.320 bonds (distance) P-C4' energy: -57.576 flat angles C4'-P-C4' energy: -61.183 flat angles P-C4'-P energy: -36.382 tors. eta vs tors. theta energy: -62.644 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: 2 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -674.617583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.617583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.617583 (E_RNA) where: Base-Base interactions energy: -437.407 where: short stacking energy: -206.761 Base-Backbone interact. energy: -0.700 local terms energy: -236.510403 where: bonds (distance) C4'-P energy: -45.623 bonds (distance) P-C4' energy: -62.447 flat angles C4'-P-C4' energy: -51.025 flat angles P-C4'-P energy: -33.818 tors. eta vs tors. theta energy: -43.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -388.370184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.370184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.370184 (E_RNA) where: Base-Base interactions energy: -189.919 where: short stacking energy: -115.569 Base-Backbone interact. energy: 2.687 local terms energy: -201.138345 where: bonds (distance) C4'-P energy: -50.715 bonds (distance) P-C4' energy: -52.494 flat angles C4'-P-C4' energy: -54.537 flat angles P-C4'-P energy: -32.431 tors. eta vs tors. theta energy: -10.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1178.759634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.759634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.759634 (E_RNA) where: Base-Base interactions energy: -821.568 where: short stacking energy: -364.900 Base-Backbone interact. energy: 0.433 local terms energy: -357.624552 where: bonds (distance) C4'-P energy: -60.662 bonds (distance) P-C4' energy: -65.640 flat angles C4'-P-C4' energy: -70.459 flat angles P-C4'-P energy: -54.872 tors. eta vs tors. theta energy: -105.991 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: 2, replica: 10 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1176.240447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.240447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.240447 (E_RNA) where: Base-Base interactions energy: -848.474 where: short stacking energy: -366.226 Base-Backbone interact. energy: -1.221 local terms energy: -326.545698 where: bonds (distance) C4'-P energy: -66.807 bonds (distance) P-C4' energy: -62.596 flat angles C4'-P-C4' energy: -58.652 flat angles P-C4'-P energy: -46.829 tors. eta vs tors. theta energy: -91.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1127.311716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.311716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.311716 (E_RNA) where: Base-Base interactions energy: -798.133 where: short stacking energy: -316.855 Base-Backbone interact. energy: -1.973 local terms energy: -327.205857 where: bonds (distance) C4'-P energy: -52.987 bonds (distance) P-C4' energy: -64.909 flat angles C4'-P-C4' energy: -73.179 flat angles P-C4'-P energy: -53.277 tors. eta vs tors. theta energy: -82.853 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: 313 Temperature: 1.050000 Total energy: -992.191783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.191783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.191783 (E_RNA) where: Base-Base interactions energy: -686.783 where: short stacking energy: -297.066 Base-Backbone interact. energy: -2.450 local terms energy: -302.958287 where: bonds (distance) C4'-P energy: -46.863 bonds (distance) P-C4' energy: -64.039 flat angles C4'-P-C4' energy: -72.917 flat angles P-C4'-P energy: -44.812 tors. eta vs tors. theta energy: -74.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -987.927891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.927891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.927891 (E_RNA) where: Base-Base interactions energy: -681.289 where: short stacking energy: -285.045 Base-Backbone interact. energy: -2.839 local terms energy: -303.800245 where: bonds (distance) C4'-P energy: -53.186 bonds (distance) P-C4' energy: -61.826 flat angles C4'-P-C4' energy: -65.840 flat angles P-C4'-P energy: -38.386 tors. eta vs tors. theta energy: -84.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -977.654568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.654568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.654568 (E_RNA) where: Base-Base interactions energy: -687.418 where: short stacking energy: -286.336 Base-Backbone interact. energy: -1.429 local terms energy: -288.808084 where: bonds (distance) C4'-P energy: -45.297 bonds (distance) P-C4' energy: -58.197 flat angles C4'-P-C4' energy: -63.510 flat angles P-C4'-P energy: -43.126 tors. eta vs tors. theta energy: -78.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -881.015648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.015648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.015648 (E_RNA) where: Base-Base interactions energy: -609.813 where: short stacking energy: -275.753 Base-Backbone interact. energy: 2.975 local terms energy: -274.177540 where: bonds (distance) C4'-P energy: -51.036 bonds (distance) P-C4' energy: -56.053 flat angles C4'-P-C4' energy: -58.594 flat angles P-C4'-P energy: -40.053 tors. eta vs tors. theta energy: -68.441 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: 8, replica: 7 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -870.596484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.596484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.596484 (E_RNA) where: Base-Base interactions energy: -599.608 where: short stacking energy: -262.827 Base-Backbone interact. energy: -0.952 local terms energy: -270.036256 where: bonds (distance) C4'-P energy: -55.086 bonds (distance) P-C4' energy: -49.980 flat angles C4'-P-C4' energy: -67.972 flat angles P-C4'-P energy: -34.990 tors. eta vs tors. theta energy: -62.009 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: 2 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -682.798134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.798134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.798134 (E_RNA) where: Base-Base interactions energy: -428.517 where: short stacking energy: -175.362 Base-Backbone interact. energy: -1.506 local terms energy: -252.774664 where: bonds (distance) C4'-P energy: -50.877 bonds (distance) P-C4' energy: -62.779 flat angles C4'-P-C4' energy: -63.435 flat angles P-C4'-P energy: -42.246 tors. eta vs tors. theta energy: -33.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -384.556777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.556777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.556777 (E_RNA) where: Base-Base interactions energy: -190.515 where: short stacking energy: -120.262 Base-Backbone interact. energy: -0.810 local terms energy: -193.232285 where: bonds (distance) C4'-P energy: -49.085 bonds (distance) P-C4' energy: -55.062 flat angles C4'-P-C4' energy: -45.473 flat angles P-C4'-P energy: -32.123 tors. eta vs tors. theta energy: -11.489 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: 1, replica: 10 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1175.882207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.882207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.882207 (E_RNA) where: Base-Base interactions energy: -832.738 where: short stacking energy: -344.640 Base-Backbone interact. energy: -2.006 local terms energy: -341.138559 where: bonds (distance) C4'-P energy: -66.359 bonds (distance) P-C4' energy: -63.616 flat angles C4'-P-C4' energy: -75.423 flat angles P-C4'-P energy: -48.321 tors. eta vs tors. theta energy: -87.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1158.230507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.230507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.230507 (E_RNA) where: Base-Base interactions energy: -803.283 where: short stacking energy: -352.683 Base-Backbone interact. energy: -2.178 local terms energy: -352.769599 where: bonds (distance) C4'-P energy: -68.520 bonds (distance) P-C4' energy: -60.241 flat angles C4'-P-C4' energy: -73.989 flat angles P-C4'-P energy: -51.734 tors. eta vs tors. theta energy: -98.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1102.648681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.648681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.648681 (E_RNA) where: Base-Base interactions energy: -786.142 where: short stacking energy: -322.082 Base-Backbone interact. energy: -2.101 local terms energy: -314.405443 where: bonds (distance) C4'-P energy: -60.582 bonds (distance) P-C4' energy: -62.873 flat angles C4'-P-C4' energy: -66.467 flat angles P-C4'-P energy: -45.488 tors. eta vs tors. theta energy: -78.996 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: 8 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -983.893326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.893326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.893326 (E_RNA) where: Base-Base interactions energy: -691.811 where: short stacking energy: -295.206 Base-Backbone interact. energy: -3.153 local terms energy: -288.929621 where: bonds (distance) C4'-P energy: -55.812 bonds (distance) P-C4' energy: -60.693 flat angles C4'-P-C4' energy: -62.289 flat angles P-C4'-P energy: -41.563 tors. eta vs tors. theta energy: -68.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1003.248318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.248318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.248318 (E_RNA) where: Base-Base interactions energy: -697.589 where: short stacking energy: -298.595 Base-Backbone interact. energy: 4.073 local terms energy: -309.732516 where: bonds (distance) C4'-P energy: -46.077 bonds (distance) P-C4' energy: -66.242 flat angles C4'-P-C4' energy: -70.879 flat angles P-C4'-P energy: -48.361 tors. eta vs tors. theta energy: -78.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1012.921797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.921797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.921797 (E_RNA) where: Base-Base interactions energy: -706.962 where: short stacking energy: -311.317 Base-Backbone interact. energy: -0.373 local terms energy: -305.587320 where: bonds (distance) C4'-P energy: -53.516 bonds (distance) P-C4' energy: -50.388 flat angles C4'-P-C4' energy: -66.786 flat angles P-C4'-P energy: -50.328 tors. eta vs tors. theta energy: -84.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -865.612367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.612367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.612367 (E_RNA) where: Base-Base interactions energy: -607.377 where: short stacking energy: -265.798 Base-Backbone interact. energy: 2.579 local terms energy: -260.814842 where: bonds (distance) C4'-P energy: -45.726 bonds (distance) P-C4' energy: -53.796 flat angles C4'-P-C4' energy: -54.521 flat angles P-C4'-P energy: -38.036 tors. eta vs tors. theta energy: -68.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -897.242268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.242268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.242268 (E_RNA) where: Base-Base interactions energy: -620.241 where: short stacking energy: -274.374 Base-Backbone interact. energy: -0.710 local terms energy: -276.291622 where: bonds (distance) C4'-P energy: -51.351 bonds (distance) P-C4' energy: -48.698 flat angles C4'-P-C4' energy: -64.111 flat angles P-C4'-P energy: -42.150 tors. eta vs tors. theta energy: -69.982 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: 2 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -687.044657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.044657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.044657 (E_RNA) where: Base-Base interactions energy: -439.732 where: short stacking energy: -200.008 Base-Backbone interact. energy: -2.142 local terms energy: -245.170083 where: bonds (distance) C4'-P energy: -58.553 bonds (distance) P-C4' energy: -52.976 flat angles C4'-P-C4' energy: -54.311 flat angles P-C4'-P energy: -38.024 tors. eta vs tors. theta energy: -41.307 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: 10, replica: 3 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -388.299188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.299188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.299188 (E_RNA) where: Base-Base interactions energy: -200.278 where: short stacking energy: -118.263 Base-Backbone interact. energy: 2.991 local terms energy: -191.013028 where: bonds (distance) C4'-P energy: -39.626 bonds (distance) P-C4' energy: -46.931 flat angles C4'-P-C4' energy: -63.557 flat angles P-C4'-P energy: -23.159 tors. eta vs tors. theta energy: -17.740 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: 10 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1184.498481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.498481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.498481 (E_RNA) where: Base-Base interactions energy: -839.680 where: short stacking energy: -368.579 Base-Backbone interact. energy: -0.916 local terms energy: -343.902337 where: bonds (distance) C4'-P energy: -62.169 bonds (distance) P-C4' energy: -64.162 flat angles C4'-P-C4' energy: -74.792 flat angles P-C4'-P energy: -44.066 tors. eta vs tors. theta energy: -98.713 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: 315 Temperature: 0.950000 Total energy: -1159.610856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.610856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.610856 (E_RNA) where: Base-Base interactions energy: -812.806 where: short stacking energy: -362.764 Base-Backbone interact. energy: -2.648 local terms energy: -344.156913 where: bonds (distance) C4'-P energy: -58.771 bonds (distance) P-C4' energy: -64.033 flat angles C4'-P-C4' energy: -70.896 flat angles P-C4'-P energy: -48.490 tors. eta vs tors. theta energy: -101.967 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: 1 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1083.570741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.570741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.570741 (E_RNA) where: Base-Base interactions energy: -778.928 where: short stacking energy: -308.603 Base-Backbone interact. energy: -2.332 local terms energy: -302.310566 where: bonds (distance) C4'-P energy: -54.583 bonds (distance) P-C4' energy: -56.294 flat angles C4'-P-C4' energy: -66.867 flat angles P-C4'-P energy: -52.098 tors. eta vs tors. theta energy: -72.468 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: 6 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1030.401153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.401153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.401153 (E_RNA) where: Base-Base interactions energy: -730.426 where: short stacking energy: -292.786 Base-Backbone interact. energy: -2.029 local terms energy: -297.946267 where: bonds (distance) C4'-P energy: -57.735 bonds (distance) P-C4' energy: -62.827 flat angles C4'-P-C4' energy: -61.954 flat angles P-C4'-P energy: -43.748 tors. eta vs tors. theta energy: -71.683 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: 8 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -976.784993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.784993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.784993 (E_RNA) where: Base-Base interactions energy: -699.174 where: short stacking energy: -296.807 Base-Backbone interact. energy: -0.746 local terms energy: -276.864804 where: bonds (distance) C4'-P energy: -59.318 bonds (distance) P-C4' energy: -57.967 flat angles C4'-P-C4' energy: -61.533 flat angles P-C4'-P energy: -27.305 tors. eta vs tors. theta energy: -70.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -964.903037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.903037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.903037 (E_RNA) where: Base-Base interactions energy: -672.101 where: short stacking energy: -282.150 Base-Backbone interact. energy: -1.288 local terms energy: -291.514494 where: bonds (distance) C4'-P energy: -53.938 bonds (distance) P-C4' energy: -64.284 flat angles C4'-P-C4' energy: -59.056 flat angles P-C4'-P energy: -43.703 tors. eta vs tors. theta energy: -70.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -906.136442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.136442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.136442 (E_RNA) where: Base-Base interactions energy: -617.477 where: short stacking energy: -272.875 Base-Backbone interact. energy: 0.943 local terms energy: -289.602892 where: bonds (distance) C4'-P energy: -60.812 bonds (distance) P-C4' energy: -48.550 flat angles C4'-P-C4' energy: -62.543 flat angles P-C4'-P energy: -42.129 tors. eta vs tors. theta energy: -75.570 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: 8, replica: 5 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -873.195642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.195642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.195642 (E_RNA) where: Base-Base interactions energy: -611.489 where: short stacking energy: -265.076 Base-Backbone interact. energy: 4.559 local terms energy: -266.265883 where: bonds (distance) C4'-P energy: -52.469 bonds (distance) P-C4' energy: -53.964 flat angles C4'-P-C4' energy: -56.448 flat angles P-C4'-P energy: -43.475 tors. eta vs tors. theta energy: -59.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -690.063621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.063621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.063621 (E_RNA) where: Base-Base interactions energy: -455.569 where: short stacking energy: -195.726 Base-Backbone interact. energy: -0.120 local terms energy: -234.374320 where: bonds (distance) C4'-P energy: -44.605 bonds (distance) P-C4' energy: -60.786 flat angles C4'-P-C4' energy: -49.109 flat angles P-C4'-P energy: -31.769 tors. eta vs tors. theta energy: -48.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -417.572728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.572728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.572728 (E_RNA) where: Base-Base interactions energy: -217.779 where: short stacking energy: -127.358 Base-Backbone interact. energy: 1.330 local terms energy: -201.123727 where: bonds (distance) C4'-P energy: -48.047 bonds (distance) P-C4' energy: -65.925 flat angles C4'-P-C4' energy: -45.516 flat angles P-C4'-P energy: -29.929 tors. eta vs tors. theta energy: -11.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1184.321334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.321334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.321334 (E_RNA) where: Base-Base interactions energy: -848.510 where: short stacking energy: -363.717 Base-Backbone interact. energy: 3.471 local terms energy: -339.282636 where: bonds (distance) C4'-P energy: -56.337 bonds (distance) P-C4' energy: -70.874 flat angles C4'-P-C4' energy: -70.151 flat angles P-C4'-P energy: -46.714 tors. eta vs tors. theta energy: -95.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1155.194416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.194416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.194416 (E_RNA) where: Base-Base interactions energy: -810.906 where: short stacking energy: -346.890 Base-Backbone interact. energy: 2.577 local terms energy: -346.865957 where: bonds (distance) C4'-P energy: -73.344 bonds (distance) P-C4' energy: -69.386 flat angles C4'-P-C4' energy: -63.591 flat angles P-C4'-P energy: -46.265 tors. eta vs tors. theta energy: -94.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1112.041498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.041498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.041498 (E_RNA) where: Base-Base interactions energy: -786.618 where: short stacking energy: -302.720 Base-Backbone interact. energy: -1.229 local terms energy: -324.195310 where: bonds (distance) C4'-P energy: -66.711 bonds (distance) P-C4' energy: -64.835 flat angles C4'-P-C4' energy: -72.983 flat angles P-C4'-P energy: -41.460 tors. eta vs tors. theta energy: -78.206 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: 6 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1055.657724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.657724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.657724 (E_RNA) where: Base-Base interactions energy: -744.886 where: short stacking energy: -329.727 Base-Backbone interact. energy: -0.793 local terms energy: -309.978531 where: bonds (distance) C4'-P energy: -46.925 bonds (distance) P-C4' energy: -65.990 flat angles C4'-P-C4' energy: -65.921 flat angles P-C4'-P energy: -46.693 tors. eta vs tors. theta energy: -84.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1001.831148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.831148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.831148 (E_RNA) where: Base-Base interactions energy: -695.772 where: short stacking energy: -290.973 Base-Backbone interact. energy: -1.282 local terms energy: -304.776338 where: bonds (distance) C4'-P energy: -69.814 bonds (distance) P-C4' energy: -54.647 flat angles C4'-P-C4' energy: -63.652 flat angles P-C4'-P energy: -49.933 tors. eta vs tors. theta energy: -66.730 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: 6, replica: 9 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -969.519529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.519529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.519529 (E_RNA) where: Base-Base interactions energy: -684.224 where: short stacking energy: -287.571 Base-Backbone interact. energy: -1.685 local terms energy: -283.611022 where: bonds (distance) C4'-P energy: -55.523 bonds (distance) P-C4' energy: -62.854 flat angles C4'-P-C4' energy: -61.156 flat angles P-C4'-P energy: -27.344 tors. eta vs tors. theta energy: -76.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -902.889833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.889833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.889833 (E_RNA) where: Base-Base interactions energy: -647.271 where: short stacking energy: -260.246 Base-Backbone interact. energy: 0.926 local terms energy: -256.544723 where: bonds (distance) C4'-P energy: -52.084 bonds (distance) P-C4' energy: -58.683 flat angles C4'-P-C4' energy: -50.207 flat angles P-C4'-P energy: -37.396 tors. eta vs tors. theta energy: -58.174 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: 8, replica: 7 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -883.266235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.266235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.266235 (E_RNA) where: Base-Base interactions energy: -601.851 where: short stacking energy: -258.713 Base-Backbone interact. energy: -0.457 local terms energy: -280.958102 where: bonds (distance) C4'-P energy: -66.061 bonds (distance) P-C4' energy: -58.913 flat angles C4'-P-C4' energy: -59.791 flat angles P-C4'-P energy: -31.335 tors. eta vs tors. theta energy: -64.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -688.607059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.607059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.607059 (E_RNA) where: Base-Base interactions energy: -456.913 where: short stacking energy: -207.766 Base-Backbone interact. energy: 2.361 local terms energy: -234.054655 where: bonds (distance) C4'-P energy: -46.430 bonds (distance) P-C4' energy: -57.569 flat angles C4'-P-C4' energy: -50.315 flat angles P-C4'-P energy: -36.488 tors. eta vs tors. theta energy: -43.252 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: 3 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -416.842955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.842955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.842955 (E_RNA) where: Base-Base interactions energy: -229.562 where: short stacking energy: -118.507 Base-Backbone interact. energy: -1.439 local terms energy: -185.842634 where: bonds (distance) C4'-P energy: -48.481 bonds (distance) P-C4' energy: -60.190 flat angles C4'-P-C4' energy: -45.345 flat angles P-C4'-P energy: -25.406 tors. eta vs tors. theta energy: -6.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1183.352305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.352305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.352305 (E_RNA) where: Base-Base interactions energy: -843.745 where: short stacking energy: -349.769 Base-Backbone interact. energy: -0.261 local terms energy: -339.346542 where: bonds (distance) C4'-P energy: -67.475 bonds (distance) P-C4' energy: -64.512 flat angles C4'-P-C4' energy: -67.884 flat angles P-C4'-P energy: -41.564 tors. eta vs tors. theta energy: -97.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1146.470570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.470570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.470570 (E_RNA) where: Base-Base interactions energy: -809.972 where: short stacking energy: -347.699 Base-Backbone interact. energy: -0.195 local terms energy: -336.303683 where: bonds (distance) C4'-P energy: -59.541 bonds (distance) P-C4' energy: -60.724 flat angles C4'-P-C4' energy: -72.891 flat angles P-C4'-P energy: -48.646 tors. eta vs tors. theta energy: -94.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1094.549337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.549337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.549337 (E_RNA) where: Base-Base interactions energy: -794.031 where: short stacking energy: -319.432 Base-Backbone interact. energy: 1.173 local terms energy: -301.691019 where: bonds (distance) C4'-P energy: -53.429 bonds (distance) P-C4' energy: -65.903 flat angles C4'-P-C4' energy: -67.047 flat angles P-C4'-P energy: -38.988 tors. eta vs tors. theta energy: -76.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1013.971237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.971237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.971237 (E_RNA) where: Base-Base interactions energy: -710.127 where: short stacking energy: -302.327 Base-Backbone interact. energy: -1.568 local terms energy: -302.276286 where: bonds (distance) C4'-P energy: -55.890 bonds (distance) P-C4' energy: -65.692 flat angles C4'-P-C4' energy: -54.565 flat angles P-C4'-P energy: -50.209 tors. eta vs tors. theta energy: -75.921 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: 6 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1020.414576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.414576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.414576 (E_RNA) where: Base-Base interactions energy: -698.743 where: short stacking energy: -303.071 Base-Backbone interact. energy: 3.955 local terms energy: -325.626311 where: bonds (distance) C4'-P energy: -60.403 bonds (distance) P-C4' energy: -61.549 flat angles C4'-P-C4' energy: -74.378 flat angles P-C4'-P energy: -42.107 tors. eta vs tors. theta energy: -87.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -990.603469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.603469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.603469 (E_RNA) where: Base-Base interactions energy: -684.578 where: short stacking energy: -302.391 Base-Backbone interact. energy: 0.644 local terms energy: -306.669397 where: bonds (distance) C4'-P energy: -50.879 bonds (distance) P-C4' energy: -54.269 flat angles C4'-P-C4' energy: -66.778 flat angles P-C4'-P energy: -48.631 tors. eta vs tors. theta energy: -86.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -873.013157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.013157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.013157 (E_RNA) where: Base-Base interactions energy: -608.155 where: short stacking energy: -277.636 Base-Backbone interact. energy: -1.518 local terms energy: -263.339633 where: bonds (distance) C4'-P energy: -43.230 bonds (distance) P-C4' energy: -61.646 flat angles C4'-P-C4' energy: -60.023 flat angles P-C4'-P energy: -32.906 tors. eta vs tors. theta energy: -65.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -797.880415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.880415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.880415 (E_RNA) where: Base-Base interactions energy: -534.674 where: short stacking energy: -232.412 Base-Backbone interact. energy: -1.003 local terms energy: -262.203641 where: bonds (distance) C4'-P energy: -57.063 bonds (distance) P-C4' energy: -50.582 flat angles C4'-P-C4' energy: -62.077 flat angles P-C4'-P energy: -37.519 tors. eta vs tors. theta energy: -54.962 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: 2 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -684.135144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.135144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.135144 (E_RNA) where: Base-Base interactions energy: -435.864 where: short stacking energy: -208.275 Base-Backbone interact. energy: -0.564 local terms energy: -247.707569 where: bonds (distance) C4'-P energy: -42.386 bonds (distance) P-C4' energy: -59.245 flat angles C4'-P-C4' energy: -62.071 flat angles P-C4'-P energy: -33.052 tors. eta vs tors. theta energy: -50.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -454.649686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.649686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.649686 (E_RNA) where: Base-Base interactions energy: -258.233 where: short stacking energy: -119.407 Base-Backbone interact. energy: -0.203 local terms energy: -196.213381 where: bonds (distance) C4'-P energy: -49.781 bonds (distance) P-C4' energy: -60.996 flat angles C4'-P-C4' energy: -51.384 flat angles P-C4'-P energy: -34.040 tors. eta vs tors. theta energy: -0.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1182.760892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.760892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.760892 (E_RNA) where: Base-Base interactions energy: -831.039 where: short stacking energy: -347.457 Base-Backbone interact. energy: 4.204 local terms energy: -355.925219 where: bonds (distance) C4'-P energy: -64.906 bonds (distance) P-C4' energy: -67.325 flat angles C4'-P-C4' energy: -72.218 flat angles P-C4'-P energy: -52.359 tors. eta vs tors. theta energy: -99.118 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: 318 Temperature: 0.950000 Total energy: -1116.420545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.420545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.420545 (E_RNA) where: Base-Base interactions energy: -769.826 where: short stacking energy: -315.668 Base-Backbone interact. energy: -0.889 local terms energy: -345.705065 where: bonds (distance) C4'-P energy: -67.666 bonds (distance) P-C4' energy: -63.516 flat angles C4'-P-C4' energy: -71.874 flat angles P-C4'-P energy: -45.463 tors. eta vs tors. theta energy: -97.186 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: 1 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1099.414183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.414183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.414183 (E_RNA) where: Base-Base interactions energy: -783.396 where: short stacking energy: -321.961 Base-Backbone interact. energy: -1.635 local terms energy: -314.382870 where: bonds (distance) C4'-P energy: -56.911 bonds (distance) P-C4' energy: -68.086 flat angles C4'-P-C4' energy: -70.273 flat angles P-C4'-P energy: -42.272 tors. eta vs tors. theta energy: -76.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -994.327925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.327925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.327925 (E_RNA) where: Base-Base interactions energy: -682.890 where: short stacking energy: -305.289 Base-Backbone interact. energy: -0.634 local terms energy: -310.803975 where: bonds (distance) C4'-P energy: -63.722 bonds (distance) P-C4' energy: -66.891 flat angles C4'-P-C4' energy: -63.363 flat angles P-C4'-P energy: -39.488 tors. eta vs tors. theta energy: -77.340 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: 9 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -958.304235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.304235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.304235 (E_RNA) where: Base-Base interactions energy: -664.411 where: short stacking energy: -301.477 Base-Backbone interact. energy: 1.345 local terms energy: -295.238378 where: bonds (distance) C4'-P energy: -47.145 bonds (distance) P-C4' energy: -51.725 flat angles C4'-P-C4' energy: -69.384 flat angles P-C4'-P energy: -46.273 tors. eta vs tors. theta energy: -80.710 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: 6 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -965.103088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.103088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.103088 (E_RNA) where: Base-Base interactions energy: -677.332 where: short stacking energy: -293.849 Base-Backbone interact. energy: 0.128 local terms energy: -287.899484 where: bonds (distance) C4'-P energy: -53.123 bonds (distance) P-C4' energy: -52.671 flat angles C4'-P-C4' energy: -61.838 flat angles P-C4'-P energy: -43.311 tors. eta vs tors. theta energy: -76.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -894.143330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.143330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.143330 (E_RNA) where: Base-Base interactions energy: -620.920 where: short stacking energy: -255.025 Base-Backbone interact. energy: -0.265 local terms energy: -272.958222 where: bonds (distance) C4'-P energy: -48.006 bonds (distance) P-C4' energy: -51.468 flat angles C4'-P-C4' energy: -61.683 flat angles P-C4'-P energy: -51.598 tors. eta vs tors. theta energy: -60.203 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: 318 Temperature: 1.250000 Total energy: -867.663216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.663216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.663216 (E_RNA) where: Base-Base interactions energy: -593.461 where: short stacking energy: -260.904 Base-Backbone interact. energy: -0.498 local terms energy: -273.703631 where: bonds (distance) C4'-P energy: -57.880 bonds (distance) P-C4' energy: -51.515 flat angles C4'-P-C4' energy: -58.523 flat angles P-C4'-P energy: -36.975 tors. eta vs tors. theta energy: -68.810 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: 2 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -693.142437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.142437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.142437 (E_RNA) where: Base-Base interactions energy: -459.961 where: short stacking energy: -221.906 Base-Backbone interact. energy: -0.777 local terms energy: -232.403616 where: bonds (distance) C4'-P energy: -44.982 bonds (distance) P-C4' energy: -46.537 flat angles C4'-P-C4' energy: -54.016 flat angles P-C4'-P energy: -25.631 tors. eta vs tors. theta energy: -61.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -482.139970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.139970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.139970 (E_RNA) where: Base-Base interactions energy: -273.990 where: short stacking energy: -132.414 Base-Backbone interact. energy: -0.938 local terms energy: -207.211993 where: bonds (distance) C4'-P energy: -59.431 bonds (distance) P-C4' energy: -51.076 flat angles C4'-P-C4' energy: -51.125 flat angles P-C4'-P energy: -34.548 tors. eta vs tors. theta energy: -11.032 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: 10 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1187.279058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.279058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.279058 (E_RNA) where: Base-Base interactions energy: -843.070 where: short stacking energy: -352.372 Base-Backbone interact. energy: 5.879 local terms energy: -350.087810 where: bonds (distance) C4'-P energy: -64.287 bonds (distance) P-C4' energy: -63.395 flat angles C4'-P-C4' energy: -70.509 flat angles P-C4'-P energy: -53.745 tors. eta vs tors. theta energy: -98.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1124.482987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.482987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.482987 (E_RNA) where: Base-Base interactions energy: -812.868 where: short stacking energy: -325.967 Base-Backbone interact. energy: 2.231 local terms energy: -313.846186 where: bonds (distance) C4'-P energy: -60.175 bonds (distance) P-C4' energy: -60.746 flat angles C4'-P-C4' energy: -65.415 flat angles P-C4'-P energy: -46.773 tors. eta vs tors. theta energy: -80.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1112.734339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.734339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.734339 (E_RNA) where: Base-Base interactions energy: -780.215 where: short stacking energy: -348.356 Base-Backbone interact. energy: -0.778 local terms energy: -331.741180 where: bonds (distance) C4'-P energy: -56.115 bonds (distance) P-C4' energy: -66.038 flat angles C4'-P-C4' energy: -69.859 flat angles P-C4'-P energy: -35.804 tors. eta vs tors. theta energy: -103.925 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: 9 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -974.208179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.208179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.208179 (E_RNA) where: Base-Base interactions energy: -662.665 where: short stacking energy: -303.184 Base-Backbone interact. energy: 0.833 local terms energy: -312.377052 where: bonds (distance) C4'-P energy: -56.418 bonds (distance) P-C4' energy: -59.747 flat angles C4'-P-C4' energy: -72.308 flat angles P-C4'-P energy: -44.479 tors. eta vs tors. theta energy: -79.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -970.413934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.413934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.413934 (E_RNA) where: Base-Base interactions energy: -660.972 where: short stacking energy: -297.863 Base-Backbone interact. energy: -0.883 local terms energy: -308.559402 where: bonds (distance) C4'-P energy: -61.329 bonds (distance) P-C4' energy: -55.345 flat angles C4'-P-C4' energy: -71.003 flat angles P-C4'-P energy: -48.467 tors. eta vs tors. theta energy: -72.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -888.167879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.167879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.167879 (E_RNA) where: Base-Base interactions energy: -617.783 where: short stacking energy: -266.585 Base-Backbone interact. energy: -1.670 local terms energy: -268.715109 where: bonds (distance) C4'-P energy: -56.340 bonds (distance) P-C4' energy: -60.885 flat angles C4'-P-C4' energy: -61.312 flat angles P-C4'-P energy: -31.226 tors. eta vs tors. theta energy: -58.952 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: 7, replica: 6 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -940.765722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.765722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.765722 (E_RNA) where: Base-Base interactions energy: -675.898 where: short stacking energy: -270.442 Base-Backbone interact. energy: 4.777 local terms energy: -269.645022 where: bonds (distance) C4'-P energy: -44.464 bonds (distance) P-C4' energy: -54.050 flat angles C4'-P-C4' energy: -63.424 flat angles P-C4'-P energy: -37.669 tors. eta vs tors. theta energy: -70.038 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: 7 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -864.314006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.314006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.314006 (E_RNA) where: Base-Base interactions energy: -591.873 where: short stacking energy: -271.548 Base-Backbone interact. energy: -1.649 local terms energy: -270.792204 where: bonds (distance) C4'-P energy: -62.272 bonds (distance) P-C4' energy: -46.483 flat angles C4'-P-C4' energy: -61.751 flat angles P-C4'-P energy: -20.422 tors. eta vs tors. theta energy: -79.864 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: 2 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -641.388433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.388433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.388433 (E_RNA) where: Base-Base interactions energy: -430.669 where: short stacking energy: -193.619 Base-Backbone interact. energy: -0.119 local terms energy: -210.601263 where: bonds (distance) C4'-P energy: -44.636 bonds (distance) P-C4' energy: -52.715 flat angles C4'-P-C4' energy: -37.320 flat angles P-C4'-P energy: -39.707 tors. eta vs tors. theta energy: -36.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -507.853068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.853068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.853068 (E_RNA) where: Base-Base interactions energy: -306.575 where: short stacking energy: -161.885 Base-Backbone interact. energy: 0.019 local terms energy: -201.297734 where: bonds (distance) C4'-P energy: -46.776 bonds (distance) P-C4' energy: -61.511 flat angles C4'-P-C4' energy: -52.469 flat angles P-C4'-P energy: -20.376 tors. eta vs tors. theta energy: -20.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1185.451350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.451350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.451350 (E_RNA) where: Base-Base interactions energy: -847.085 where: short stacking energy: -354.474 Base-Backbone interact. energy: -2.696 local terms energy: -335.670376 where: bonds (distance) C4'-P energy: -59.844 bonds (distance) P-C4' energy: -58.562 flat angles C4'-P-C4' energy: -76.202 flat angles P-C4'-P energy: -42.514 tors. eta vs tors. theta energy: -98.548 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: 1 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1141.613675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.613675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.613675 (E_RNA) where: Base-Base interactions energy: -820.682 where: short stacking energy: -338.978 Base-Backbone interact. energy: -3.243 local terms energy: -317.687716 where: bonds (distance) C4'-P energy: -59.068 bonds (distance) P-C4' energy: -64.015 flat angles C4'-P-C4' energy: -72.006 flat angles P-C4'-P energy: -46.300 tors. eta vs tors. theta energy: -76.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1143.524340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.524340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.524340 (E_RNA) where: Base-Base interactions energy: -785.308 where: short stacking energy: -353.800 Base-Backbone interact. energy: -1.502 local terms energy: -356.714846 where: bonds (distance) C4'-P energy: -63.315 bonds (distance) P-C4' energy: -60.253 flat angles C4'-P-C4' energy: -75.483 flat angles P-C4'-P energy: -48.359 tors. eta vs tors. theta energy: -109.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -991.455446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.455446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.455446 (E_RNA) where: Base-Base interactions energy: -694.434 where: short stacking energy: -297.475 Base-Backbone interact. energy: -2.103 local terms energy: -294.918657 where: bonds (distance) C4'-P energy: -49.294 bonds (distance) P-C4' energy: -58.139 flat angles C4'-P-C4' energy: -70.053 flat angles P-C4'-P energy: -43.683 tors. eta vs tors. theta energy: -73.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -965.911669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.911669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.911669 (E_RNA) where: Base-Base interactions energy: -670.293 where: short stacking energy: -299.000 Base-Backbone interact. energy: -0.816 local terms energy: -294.802622 where: bonds (distance) C4'-P energy: -50.103 bonds (distance) P-C4' energy: -57.451 flat angles C4'-P-C4' energy: -61.018 flat angles P-C4'-P energy: -47.534 tors. eta vs tors. theta energy: -78.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -904.067534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.067534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.067534 (E_RNA) where: Base-Base interactions energy: -622.280 where: short stacking energy: -270.279 Base-Backbone interact. energy: -2.601 local terms energy: -279.185812 where: bonds (distance) C4'-P energy: -49.813 bonds (distance) P-C4' energy: -63.647 flat angles C4'-P-C4' energy: -53.998 flat angles P-C4'-P energy: -42.292 tors. eta vs tors. theta energy: -69.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -933.577155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.577155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.577155 (E_RNA) where: Base-Base interactions energy: -642.624 where: short stacking energy: -267.480 Base-Backbone interact. energy: -1.688 local terms energy: -289.265168 where: bonds (distance) C4'-P energy: -53.243 bonds (distance) P-C4' energy: -58.612 flat angles C4'-P-C4' energy: -61.176 flat angles P-C4'-P energy: -39.245 tors. eta vs tors. theta energy: -76.991 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: 8, replica: 7 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -854.226470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.226470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.226470 (E_RNA) where: Base-Base interactions energy: -582.859 where: short stacking energy: -266.528 Base-Backbone interact. energy: 2.477 local terms energy: -273.844516 where: bonds (distance) C4'-P energy: -51.457 bonds (distance) P-C4' energy: -58.720 flat angles C4'-P-C4' energy: -63.099 flat angles P-C4'-P energy: -34.276 tors. eta vs tors. theta energy: -66.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -666.643265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.643265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.643265 (E_RNA) where: Base-Base interactions energy: -439.266 where: short stacking energy: -188.832 Base-Backbone interact. energy: 0.002 local terms energy: -227.379343 where: bonds (distance) C4'-P energy: -42.680 bonds (distance) P-C4' energy: -61.547 flat angles C4'-P-C4' energy: -60.348 flat angles P-C4'-P energy: -29.130 tors. eta vs tors. theta energy: -33.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -526.769121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.769121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.769121 (E_RNA) where: Base-Base interactions energy: -309.860 where: short stacking energy: -167.873 Base-Backbone interact. energy: 0.863 local terms energy: -217.772729 where: bonds (distance) C4'-P energy: -38.331 bonds (distance) P-C4' energy: -53.971 flat angles C4'-P-C4' energy: -60.626 flat angles P-C4'-P energy: -36.466 tors. eta vs tors. theta energy: -28.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1193.851332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.851332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.851332 (E_RNA) where: Base-Base interactions energy: -833.250 where: short stacking energy: -343.901 Base-Backbone interact. energy: -2.736 local terms energy: -357.865055 where: bonds (distance) C4'-P energy: -64.929 bonds (distance) P-C4' energy: -66.752 flat angles C4'-P-C4' energy: -75.164 flat angles P-C4'-P energy: -50.561 tors. eta vs tors. theta energy: -100.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1167.512937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.512937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.512937 (E_RNA) where: Base-Base interactions energy: -807.943 where: short stacking energy: -359.742 Base-Backbone interact. energy: -0.937 local terms energy: -358.633096 where: bonds (distance) C4'-P energy: -60.064 bonds (distance) P-C4' energy: -68.951 flat angles C4'-P-C4' energy: -74.518 flat angles P-C4'-P energy: -46.884 tors. eta vs tors. theta energy: -108.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1085.549094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.549094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.549094 (E_RNA) where: Base-Base interactions energy: -770.319 where: short stacking energy: -323.126 Base-Backbone interact. energy: -0.543 local terms energy: -314.686637 where: bonds (distance) C4'-P energy: -56.493 bonds (distance) P-C4' energy: -63.163 flat angles C4'-P-C4' energy: -66.326 flat angles P-C4'-P energy: -45.882 tors. eta vs tors. theta energy: -82.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -994.818823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.818823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.818823 (E_RNA) where: Base-Base interactions energy: -697.602 where: short stacking energy: -304.025 Base-Backbone interact. energy: 1.523 local terms energy: -298.739885 where: bonds (distance) C4'-P energy: -54.985 bonds (distance) P-C4' energy: -62.670 flat angles C4'-P-C4' energy: -68.848 flat angles P-C4'-P energy: -37.147 tors. eta vs tors. theta energy: -75.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -938.861341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.861341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.861341 (E_RNA) where: Base-Base interactions energy: -667.772 where: short stacking energy: -289.384 Base-Backbone interact. energy: -1.036 local terms energy: -270.052819 where: bonds (distance) C4'-P energy: -54.713 bonds (distance) P-C4' energy: -50.995 flat angles C4'-P-C4' energy: -71.614 flat angles P-C4'-P energy: -28.845 tors. eta vs tors. theta energy: -63.886 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: 6 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -962.997915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.997915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.997915 (E_RNA) where: Base-Base interactions energy: -665.798 where: short stacking energy: -290.319 Base-Backbone interact. energy: -3.942 local terms energy: -293.257341 where: bonds (distance) C4'-P energy: -52.348 bonds (distance) P-C4' energy: -65.824 flat angles C4'-P-C4' energy: -57.276 flat angles P-C4'-P energy: -39.739 tors. eta vs tors. theta energy: -78.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -862.654030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.654030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.654030 (E_RNA) where: Base-Base interactions energy: -580.248 where: short stacking energy: -255.247 Base-Backbone interact. energy: -0.363 local terms energy: -282.043130 where: bonds (distance) C4'-P energy: -59.643 bonds (distance) P-C4' energy: -53.379 flat angles C4'-P-C4' energy: -54.588 flat angles P-C4'-P energy: -47.358 tors. eta vs tors. theta energy: -67.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -871.067559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.067559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.067559 (E_RNA) where: Base-Base interactions energy: -598.613 where: short stacking energy: -276.448 Base-Backbone interact. energy: 1.144 local terms energy: -273.598720 where: bonds (distance) C4'-P energy: -50.651 bonds (distance) P-C4' energy: -50.668 flat angles C4'-P-C4' energy: -62.558 flat angles P-C4'-P energy: -38.257 tors. eta vs tors. theta energy: -71.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -661.795485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.795485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.795485 (E_RNA) where: Base-Base interactions energy: -421.222 where: short stacking energy: -175.493 Base-Backbone interact. energy: -2.456 local terms energy: -238.117264 where: bonds (distance) C4'-P energy: -53.408 bonds (distance) P-C4' energy: -50.099 flat angles C4'-P-C4' energy: -56.231 flat angles P-C4'-P energy: -38.531 tors. eta vs tors. theta energy: -39.848 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: 3 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -481.290829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.290829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.290829 (E_RNA) where: Base-Base interactions energy: -278.486 where: short stacking energy: -110.597 Base-Backbone interact. energy: -3.352 local terms energy: -199.452751 where: bonds (distance) C4'-P energy: -49.554 bonds (distance) P-C4' energy: -64.142 flat angles C4'-P-C4' energy: -45.389 flat angles P-C4'-P energy: -34.038 tors. eta vs tors. theta energy: -6.329 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: 4 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1201.240511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.240511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.240511 (E_RNA) where: Base-Base interactions energy: -840.390 where: short stacking energy: -364.337 Base-Backbone interact. energy: -0.488 local terms energy: -360.361973 where: bonds (distance) C4'-P energy: -63.529 bonds (distance) P-C4' energy: -60.599 flat angles C4'-P-C4' energy: -72.762 flat angles P-C4'-P energy: -51.857 tors. eta vs tors. theta energy: -111.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1178.649958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.649958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.649958 (E_RNA) where: Base-Base interactions energy: -823.387 where: short stacking energy: -348.883 Base-Backbone interact. energy: 1.484 local terms energy: -356.746924 where: bonds (distance) C4'-P energy: -71.833 bonds (distance) P-C4' energy: -63.448 flat angles C4'-P-C4' energy: -74.469 flat angles P-C4'-P energy: -56.981 tors. eta vs tors. theta energy: -90.016 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: 3, replica: 1 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1081.829591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.829591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.829591 (E_RNA) where: Base-Base interactions energy: -770.923 where: short stacking energy: -310.371 Base-Backbone interact. energy: -3.566 local terms energy: -307.341112 where: bonds (distance) C4'-P energy: -44.820 bonds (distance) P-C4' energy: -62.516 flat angles C4'-P-C4' energy: -70.758 flat angles P-C4'-P energy: -50.321 tors. eta vs tors. theta energy: -78.926 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: 8 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -982.906096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.906096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.906096 (E_RNA) where: Base-Base interactions energy: -680.794 where: short stacking energy: -299.575 Base-Backbone interact. energy: 1.130 local terms energy: -303.241316 where: bonds (distance) C4'-P energy: -56.661 bonds (distance) P-C4' energy: -50.819 flat angles C4'-P-C4' energy: -69.228 flat angles P-C4'-P energy: -56.297 tors. eta vs tors. theta energy: -70.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1005.760255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.760255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.760255 (E_RNA) where: Base-Base interactions energy: -711.982 where: short stacking energy: -300.059 Base-Backbone interact. energy: -2.236 local terms energy: -291.542617 where: bonds (distance) C4'-P energy: -54.767 bonds (distance) P-C4' energy: -57.727 flat angles C4'-P-C4' energy: -63.483 flat angles P-C4'-P energy: -39.834 tors. eta vs tors. theta energy: -75.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -905.775803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.775803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.775803 (E_RNA) where: Base-Base interactions energy: -638.927 where: short stacking energy: -275.370 Base-Backbone interact. energy: 0.304 local terms energy: -267.152959 where: bonds (distance) C4'-P energy: -53.149 bonds (distance) P-C4' energy: -59.668 flat angles C4'-P-C4' energy: -60.833 flat angles P-C4'-P energy: -36.757 tors. eta vs tors. theta energy: -56.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -839.888666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.888666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.888666 (E_RNA) where: Base-Base interactions energy: -568.399 where: short stacking energy: -246.131 Base-Backbone interact. energy: 2.195 local terms energy: -273.685166 where: bonds (distance) C4'-P energy: -57.489 bonds (distance) P-C4' energy: -58.117 flat angles C4'-P-C4' energy: -53.708 flat angles P-C4'-P energy: -43.177 tors. eta vs tors. theta energy: -61.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -812.187570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.187570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.187570 (E_RNA) where: Base-Base interactions energy: -569.130 where: short stacking energy: -233.360 Base-Backbone interact. energy: 0.466 local terms energy: -243.523093 where: bonds (distance) C4'-P energy: -56.045 bonds (distance) P-C4' energy: -57.501 flat angles C4'-P-C4' energy: -49.749 flat angles P-C4'-P energy: -36.285 tors. eta vs tors. theta energy: -43.942 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: 9, replica: 2 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -671.753401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.753401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.753401 (E_RNA) where: Base-Base interactions energy: -455.591 where: short stacking energy: -206.629 Base-Backbone interact. energy: 3.295 local terms energy: -219.457553 where: bonds (distance) C4'-P energy: -41.047 bonds (distance) P-C4' energy: -49.007 flat angles C4'-P-C4' energy: -51.610 flat angles P-C4'-P energy: -32.758 tors. eta vs tors. theta energy: -45.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -491.707075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.707075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.707075 (E_RNA) where: Base-Base interactions energy: -287.494 where: short stacking energy: -146.632 Base-Backbone interact. energy: -0.573 local terms energy: -203.640747 where: bonds (distance) C4'-P energy: -43.340 bonds (distance) P-C4' energy: -57.252 flat angles C4'-P-C4' energy: -59.428 flat angles P-C4'-P energy: -35.419 tors. eta vs tors. theta energy: -8.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1178.876255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.876255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.876255 (E_RNA) where: Base-Base interactions energy: -803.003 where: short stacking energy: -360.201 Base-Backbone interact. energy: -1.971 local terms energy: -373.901632 where: bonds (distance) C4'-P energy: -69.880 bonds (distance) P-C4' energy: -67.347 flat angles C4'-P-C4' energy: -76.670 flat angles P-C4'-P energy: -54.242 tors. eta vs tors. theta energy: -105.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1166.702485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.702485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.702485 (E_RNA) where: Base-Base interactions energy: -821.423 where: short stacking energy: -354.465 Base-Backbone interact. energy: 0.849 local terms energy: -346.128537 where: bonds (distance) C4'-P energy: -65.223 bonds (distance) P-C4' energy: -64.100 flat angles C4'-P-C4' energy: -67.175 flat angles P-C4'-P energy: -51.712 tors. eta vs tors. theta energy: -97.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1108.936426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.936426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.936426 (E_RNA) where: Base-Base interactions energy: -796.903 where: short stacking energy: -304.252 Base-Backbone interact. energy: -2.467 local terms energy: -309.567105 where: bonds (distance) C4'-P energy: -60.987 bonds (distance) P-C4' energy: -53.310 flat angles C4'-P-C4' energy: -69.218 flat angles P-C4'-P energy: -48.773 tors. eta vs tors. theta energy: -77.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1050.395559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.395559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.395559 (E_RNA) where: Base-Base interactions energy: -745.812 where: short stacking energy: -307.971 Base-Backbone interact. energy: -2.777 local terms energy: -301.807269 where: bonds (distance) C4'-P energy: -59.170 bonds (distance) P-C4' energy: -59.712 flat angles C4'-P-C4' energy: -60.910 flat angles P-C4'-P energy: -38.790 tors. eta vs tors. theta energy: -83.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -977.563101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.563101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.563101 (E_RNA) where: Base-Base interactions energy: -676.468 where: short stacking energy: -285.689 Base-Backbone interact. energy: -1.216 local terms energy: -299.879273 where: bonds (distance) C4'-P energy: -60.872 bonds (distance) P-C4' energy: -55.630 flat angles C4'-P-C4' energy: -62.734 flat angles P-C4'-P energy: -44.312 tors. eta vs tors. theta energy: -76.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -933.986286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.986286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.986286 (E_RNA) where: Base-Base interactions energy: -655.958 where: short stacking energy: -282.998 Base-Backbone interact. energy: -0.085 local terms energy: -277.943339 where: bonds (distance) C4'-P energy: -43.071 bonds (distance) P-C4' energy: -59.743 flat angles C4'-P-C4' energy: -66.262 flat angles P-C4'-P energy: -43.104 tors. eta vs tors. theta energy: -65.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -836.691130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.691130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.691130 (E_RNA) where: Base-Base interactions energy: -566.597 where: short stacking energy: -255.970 Base-Backbone interact. energy: -0.902 local terms energy: -269.192360 where: bonds (distance) C4'-P energy: -51.984 bonds (distance) P-C4' energy: -48.844 flat angles C4'-P-C4' energy: -68.137 flat angles P-C4'-P energy: -39.766 tors. eta vs tors. theta energy: -60.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -796.923119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.923119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.923119 (E_RNA) where: Base-Base interactions energy: -555.691 where: short stacking energy: -253.539 Base-Backbone interact. energy: 2.166 local terms energy: -243.397951 where: bonds (distance) C4'-P energy: -42.872 bonds (distance) P-C4' energy: -51.730 flat angles C4'-P-C4' energy: -60.396 flat angles P-C4'-P energy: -34.711 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: 9, replica: 2 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -656.816849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.816849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.816849 (E_RNA) where: Base-Base interactions energy: -443.771 where: short stacking energy: -196.088 Base-Backbone interact. energy: 2.760 local terms energy: -215.805505 where: bonds (distance) C4'-P energy: -44.293 bonds (distance) P-C4' energy: -50.136 flat angles C4'-P-C4' energy: -58.739 flat angles P-C4'-P energy: -34.717 tors. eta vs tors. theta energy: -27.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -510.007154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.007154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.007154 (E_RNA) where: Base-Base interactions energy: -299.239 where: short stacking energy: -136.650 Base-Backbone interact. energy: -0.605 local terms energy: -210.163390 where: bonds (distance) C4'-P energy: -49.654 bonds (distance) P-C4' energy: -58.559 flat angles C4'-P-C4' energy: -47.722 flat angles P-C4'-P energy: -39.288 tors. eta vs tors. theta energy: -14.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1165.365076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.365076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.365076 (E_RNA) where: Base-Base interactions energy: -801.431 where: short stacking energy: -344.402 Base-Backbone interact. energy: -1.942 local terms energy: -361.992384 where: bonds (distance) C4'-P energy: -69.949 bonds (distance) P-C4' energy: -70.680 flat angles C4'-P-C4' energy: -74.156 flat angles P-C4'-P energy: -45.995 tors. eta vs tors. theta energy: -101.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1153.093316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.093316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.093316 (E_RNA) where: Base-Base interactions energy: -806.220 where: short stacking energy: -329.599 Base-Backbone interact. energy: -3.536 local terms energy: -343.337246 where: bonds (distance) C4'-P energy: -69.633 bonds (distance) P-C4' energy: -69.674 flat angles C4'-P-C4' energy: -74.114 flat angles P-C4'-P energy: -41.753 tors. eta vs tors. theta energy: -88.163 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: 1 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1110.084585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.084585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.084585 (E_RNA) where: Base-Base interactions energy: -801.604 where: short stacking energy: -319.649 Base-Backbone interact. energy: -3.257 local terms energy: -305.224028 where: bonds (distance) C4'-P energy: -55.123 bonds (distance) P-C4' energy: -67.616 flat angles C4'-P-C4' energy: -63.636 flat angles P-C4'-P energy: -43.167 tors. eta vs tors. theta energy: -75.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1034.477280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.477280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.477280 (E_RNA) where: Base-Base interactions energy: -703.057 where: short stacking energy: -309.395 Base-Backbone interact. energy: -1.544 local terms energy: -329.876137 where: bonds (distance) C4'-P energy: -57.482 bonds (distance) P-C4' energy: -61.660 flat angles C4'-P-C4' energy: -73.567 flat angles P-C4'-P energy: -51.946 tors. eta vs tors. theta energy: -85.220 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: 5, replica: 8 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -988.079079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.079079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.079079 (E_RNA) where: Base-Base interactions energy: -683.049 where: short stacking energy: -274.405 Base-Backbone interact. energy: -0.814 local terms energy: -304.216598 where: bonds (distance) C4'-P energy: -64.971 bonds (distance) P-C4' energy: -46.713 flat angles C4'-P-C4' energy: -72.911 flat angles P-C4'-P energy: -43.251 tors. eta vs tors. theta energy: -76.371 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: 9 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -959.711238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.711238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.711238 (E_RNA) where: Base-Base interactions energy: -691.188 where: short stacking energy: -304.815 Base-Backbone interact. energy: 1.477 local terms energy: -270.000399 where: bonds (distance) C4'-P energy: -55.053 bonds (distance) P-C4' energy: -50.331 flat angles C4'-P-C4' energy: -64.925 flat angles P-C4'-P energy: -32.287 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: 7, replica: 5 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -849.756747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.756747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.756747 (E_RNA) where: Base-Base interactions energy: -565.359 where: short stacking energy: -268.016 Base-Backbone interact. energy: 0.878 local terms energy: -285.275983 where: bonds (distance) C4'-P energy: -52.178 bonds (distance) P-C4' energy: -64.224 flat angles C4'-P-C4' energy: -62.166 flat angles P-C4'-P energy: -39.120 tors. eta vs tors. theta energy: -67.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -834.654399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.654399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.654399 (E_RNA) where: Base-Base interactions energy: -571.572 where: short stacking energy: -257.316 Base-Backbone interact. energy: -0.231 local terms energy: -262.851858 where: bonds (distance) C4'-P energy: -49.962 bonds (distance) P-C4' energy: -53.955 flat angles C4'-P-C4' energy: -61.941 flat angles P-C4'-P energy: -33.265 tors. eta vs tors. theta energy: -63.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -640.964673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.964673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.964673 (E_RNA) where: Base-Base interactions energy: -408.357 where: short stacking energy: -189.540 Base-Backbone interact. energy: -1.717 local terms energy: -230.890838 where: bonds (distance) C4'-P energy: -43.624 bonds (distance) P-C4' energy: -51.496 flat angles C4'-P-C4' energy: -68.778 flat angles P-C4'-P energy: -31.337 tors. eta vs tors. theta energy: -35.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -551.710399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.710399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.710399 (E_RNA) where: Base-Base interactions energy: -366.540 where: short stacking energy: -144.538 Base-Backbone interact. energy: -1.195 local terms energy: -183.974969 where: bonds (distance) C4'-P energy: -50.986 bonds (distance) P-C4' energy: -48.452 flat angles C4'-P-C4' energy: -47.721 flat angles P-C4'-P energy: -22.970 tors. eta vs tors. theta energy: -13.846 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: 4 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1171.777985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.777985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.777985 (E_RNA) where: Base-Base interactions energy: -827.867 where: short stacking energy: -367.988 Base-Backbone interact. energy: -0.867 local terms energy: -343.043387 where: bonds (distance) C4'-P energy: -61.873 bonds (distance) P-C4' energy: -65.503 flat angles C4'-P-C4' energy: -75.237 flat angles P-C4'-P energy: -42.886 tors. eta vs tors. theta energy: -97.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1146.216201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.216201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.216201 (E_RNA) where: Base-Base interactions energy: -818.579 where: short stacking energy: -311.944 Base-Backbone interact. energy: -2.657 local terms energy: -324.979953 where: bonds (distance) C4'-P energy: -74.710 bonds (distance) P-C4' energy: -64.253 flat angles C4'-P-C4' energy: -69.587 flat angles P-C4'-P energy: -42.843 tors. eta vs tors. theta energy: -73.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1133.608959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.608959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.608959 (E_RNA) where: Base-Base interactions energy: -803.576 where: short stacking energy: -329.974 Base-Backbone interact. energy: -0.202 local terms energy: -329.831019 where: bonds (distance) C4'-P energy: -62.287 bonds (distance) P-C4' energy: -73.877 flat angles C4'-P-C4' energy: -67.938 flat angles P-C4'-P energy: -32.108 tors. eta vs tors. theta energy: -93.622 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: 6 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1030.963657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.963657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.963657 (E_RNA) where: Base-Base interactions energy: -714.437 where: short stacking energy: -302.611 Base-Backbone interact. energy: -3.277 local terms energy: -313.250119 where: bonds (distance) C4'-P energy: -51.475 bonds (distance) P-C4' energy: -67.456 flat angles C4'-P-C4' energy: -67.160 flat angles P-C4'-P energy: -43.073 tors. eta vs tors. theta energy: -84.086 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: 8 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -995.205403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.205403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.205403 (E_RNA) where: Base-Base interactions energy: -700.328 where: short stacking energy: -295.019 Base-Backbone interact. energy: -0.262 local terms energy: -294.615670 where: bonds (distance) C4'-P energy: -61.293 bonds (distance) P-C4' energy: -52.921 flat angles C4'-P-C4' energy: -65.630 flat angles P-C4'-P energy: -40.132 tors. eta vs tors. theta energy: -74.639 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: 9 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -943.917081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.917081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.917081 (E_RNA) where: Base-Base interactions energy: -686.501 where: short stacking energy: -282.359 Base-Backbone interact. energy: 2.333 local terms energy: -259.748915 where: bonds (distance) C4'-P energy: -39.960 bonds (distance) P-C4' energy: -57.769 flat angles C4'-P-C4' energy: -58.343 flat angles P-C4'-P energy: -33.084 tors. eta vs tors. theta energy: -70.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -820.527253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.527253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.527253 (E_RNA) where: Base-Base interactions energy: -546.341 where: short stacking energy: -249.831 Base-Backbone interact. energy: -0.585 local terms energy: -273.602079 where: bonds (distance) C4'-P energy: -55.087 bonds (distance) P-C4' energy: -51.745 flat angles C4'-P-C4' energy: -58.554 flat angles P-C4'-P energy: -45.176 tors. eta vs tors. theta energy: -63.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -835.610243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.610243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.610243 (E_RNA) where: Base-Base interactions energy: -587.328 where: short stacking energy: -249.494 Base-Backbone interact. energy: -0.824 local terms energy: -247.457876 where: bonds (distance) C4'-P energy: -56.726 bonds (distance) P-C4' energy: -37.436 flat angles C4'-P-C4' energy: -57.818 flat angles P-C4'-P energy: -38.064 tors. eta vs tors. theta energy: -57.415 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: 2 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -602.830609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.830609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.830609 (E_RNA) where: Base-Base interactions energy: -383.003 where: short stacking energy: -167.553 Base-Backbone interact. energy: 3.652 local terms energy: -223.479624 where: bonds (distance) C4'-P energy: -49.126 bonds (distance) P-C4' energy: -60.855 flat angles C4'-P-C4' energy: -47.587 flat angles P-C4'-P energy: -44.493 tors. eta vs tors. theta energy: -21.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -593.033961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.033961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.033961 (E_RNA) where: Base-Base interactions energy: -377.248 where: short stacking energy: -162.942 Base-Backbone interact. energy: -0.874 local terms energy: -214.912007 where: bonds (distance) C4'-P energy: -61.222 bonds (distance) P-C4' energy: -50.357 flat angles C4'-P-C4' energy: -39.654 flat angles P-C4'-P energy: -27.926 tors. eta vs tors. theta energy: -35.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1207.485608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.485608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.485608 (E_RNA) where: Base-Base interactions energy: -837.158 where: short stacking energy: -366.934 Base-Backbone interact. energy: -2.309 local terms energy: -368.018472 where: bonds (distance) C4'-P energy: -63.789 bonds (distance) P-C4' energy: -67.139 flat angles C4'-P-C4' energy: -71.768 flat angles P-C4'-P energy: -54.823 tors. eta vs tors. theta energy: -110.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1159.902932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.902932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.902932 (E_RNA) where: Base-Base interactions energy: -835.318 where: short stacking energy: -323.585 Base-Backbone interact. energy: -3.379 local terms energy: -321.205998 where: bonds (distance) C4'-P energy: -70.294 bonds (distance) P-C4' energy: -63.462 flat angles C4'-P-C4' energy: -74.744 flat angles P-C4'-P energy: -33.434 tors. eta vs tors. theta energy: -79.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1157.313353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.313353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.313353 (E_RNA) where: Base-Base interactions energy: -828.660 where: short stacking energy: -363.806 Base-Backbone interact. energy: 2.442 local terms energy: -331.095670 where: bonds (distance) C4'-P energy: -54.916 bonds (distance) P-C4' energy: -65.696 flat angles C4'-P-C4' energy: -60.825 flat angles P-C4'-P energy: -49.771 tors. eta vs tors. theta energy: -99.888 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: 326 Temperature: 1.050000 Total energy: -996.574998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.574998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.574998 (E_RNA) where: Base-Base interactions energy: -716.172 where: short stacking energy: -289.208 Base-Backbone interact. energy: 5.159 local terms energy: -285.561673 where: bonds (distance) C4'-P energy: -55.196 bonds (distance) P-C4' energy: -55.266 flat angles C4'-P-C4' energy: -72.522 flat angles P-C4'-P energy: -35.753 tors. eta vs tors. theta energy: -66.826 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: 9 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -981.910762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.910762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.910762 (E_RNA) where: Base-Base interactions energy: -690.120 where: short stacking energy: -272.933 Base-Backbone interact. energy: -2.948 local terms energy: -288.843265 where: bonds (distance) C4'-P energy: -54.515 bonds (distance) P-C4' energy: -59.060 flat angles C4'-P-C4' energy: -62.904 flat angles P-C4'-P energy: -44.247 tors. eta vs tors. theta energy: -68.117 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: 8 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -923.947147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.947147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.947147 (E_RNA) where: Base-Base interactions energy: -644.951 where: short stacking energy: -261.867 Base-Backbone interact. energy: 1.273 local terms energy: -280.270029 where: bonds (distance) C4'-P energy: -61.730 bonds (distance) P-C4' energy: -49.375 flat angles C4'-P-C4' energy: -68.092 flat angles P-C4'-P energy: -41.900 tors. eta vs tors. theta energy: -59.172 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: 7 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -843.183462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.183462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.183462 (E_RNA) where: Base-Base interactions energy: -574.753 where: short stacking energy: -252.668 Base-Backbone interact. energy: -2.177 local terms energy: -266.253719 where: bonds (distance) C4'-P energy: -61.029 bonds (distance) P-C4' energy: -46.781 flat angles C4'-P-C4' energy: -68.886 flat angles P-C4'-P energy: -30.704 tors. eta vs tors. theta energy: -58.854 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: 5 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -817.899539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.899539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.899539 (E_RNA) where: Base-Base interactions energy: -538.598 where: short stacking energy: -229.927 Base-Backbone interact. energy: -1.901 local terms energy: -277.400086 where: bonds (distance) C4'-P energy: -53.232 bonds (distance) P-C4' energy: -67.177 flat angles C4'-P-C4' energy: -54.500 flat angles P-C4'-P energy: -44.290 tors. eta vs tors. theta energy: -58.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -633.544911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.544911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.544911 (E_RNA) where: Base-Base interactions energy: -424.725 where: short stacking energy: -211.963 Base-Backbone interact. energy: -1.414 local terms energy: -207.406126 where: bonds (distance) C4'-P energy: -40.583 bonds (distance) P-C4' energy: -51.823 flat angles C4'-P-C4' energy: -40.861 flat angles P-C4'-P energy: -24.104 tors. eta vs tors. theta energy: -50.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -626.432313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.432313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.432313 (E_RNA) where: Base-Base interactions energy: -408.085 where: short stacking energy: -207.394 Base-Backbone interact. energy: -0.205 local terms energy: -218.142172 where: bonds (distance) C4'-P energy: -51.455 bonds (distance) P-C4' energy: -52.803 flat angles C4'-P-C4' energy: -52.064 flat angles P-C4'-P energy: -18.619 tors. eta vs tors. theta energy: -43.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1178.164577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.164577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.164577 (E_RNA) where: Base-Base interactions energy: -822.647 where: short stacking energy: -353.582 Base-Backbone interact. energy: -0.468 local terms energy: -355.049738 where: bonds (distance) C4'-P energy: -64.134 bonds (distance) P-C4' energy: -66.279 flat angles C4'-P-C4' energy: -72.170 flat angles P-C4'-P energy: -47.359 tors. eta vs tors. theta energy: -105.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1136.780781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.780781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.780781 (E_RNA) where: Base-Base interactions energy: -828.638 where: short stacking energy: -328.831 Base-Backbone interact. energy: 2.537 local terms energy: -310.679650 where: bonds (distance) C4'-P energy: -57.279 bonds (distance) P-C4' energy: -65.996 flat angles C4'-P-C4' energy: -69.521 flat angles P-C4'-P energy: -37.577 tors. eta vs tors. theta energy: -80.305 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: 10 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1137.008647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.008647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.008647 (E_RNA) where: Base-Base interactions energy: -803.781 where: short stacking energy: -341.342 Base-Backbone interact. energy: 0.025 local terms energy: -333.252205 where: bonds (distance) C4'-P energy: -67.484 bonds (distance) P-C4' energy: -62.289 flat angles C4'-P-C4' energy: -61.785 flat angles P-C4'-P energy: -49.986 tors. eta vs tors. theta energy: -91.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1025.870518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.870518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.870518 (E_RNA) where: Base-Base interactions energy: -730.489 where: short stacking energy: -309.163 Base-Backbone interact. energy: -1.967 local terms energy: -293.414663 where: bonds (distance) C4'-P energy: -42.225 bonds (distance) P-C4' energy: -67.707 flat angles C4'-P-C4' energy: -63.018 flat angles P-C4'-P energy: -48.871 tors. eta vs tors. theta energy: -71.594 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: 327 Temperature: 1.100000 Total energy: -976.442952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.442952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.442952 (E_RNA) where: Base-Base interactions energy: -681.468 where: short stacking energy: -286.954 Base-Backbone interact. energy: -0.476 local terms energy: -294.498635 where: bonds (distance) C4'-P energy: -60.013 bonds (distance) P-C4' energy: -55.433 flat angles C4'-P-C4' energy: -68.163 flat angles P-C4'-P energy: -33.719 tors. eta vs tors. theta energy: -77.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -889.112265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.112265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.112265 (E_RNA) where: Base-Base interactions energy: -636.489 where: short stacking energy: -266.097 Base-Backbone interact. energy: -0.263 local terms energy: -252.360590 where: bonds (distance) C4'-P energy: -54.697 bonds (distance) P-C4' energy: -59.717 flat angles C4'-P-C4' energy: -53.197 flat angles P-C4'-P energy: -33.394 tors. eta vs tors. theta energy: -51.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -866.977814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.977814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.977814 (E_RNA) where: Base-Base interactions energy: -592.145 where: short stacking energy: -267.682 Base-Backbone interact. energy: -0.835 local terms energy: -273.997961 where: bonds (distance) C4'-P energy: -51.252 bonds (distance) P-C4' energy: -62.354 flat angles C4'-P-C4' energy: -61.770 flat angles P-C4'-P energy: -33.526 tors. eta vs tors. theta energy: -65.096 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: 5 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -792.218801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.218801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.218801 (E_RNA) where: Base-Base interactions energy: -535.690 where: short stacking energy: -223.624 Base-Backbone interact. energy: -2.318 local terms energy: -254.210842 where: bonds (distance) C4'-P energy: -50.435 bonds (distance) P-C4' energy: -59.426 flat angles C4'-P-C4' energy: -58.160 flat angles P-C4'-P energy: -42.089 tors. eta vs tors. theta energy: -44.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -634.010329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.010329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.010329 (E_RNA) where: Base-Base interactions energy: -392.772 where: short stacking energy: -179.285 Base-Backbone interact. energy: 0.500 local terms energy: -241.738094 where: bonds (distance) C4'-P energy: -52.185 bonds (distance) P-C4' energy: -61.427 flat angles C4'-P-C4' energy: -49.591 flat angles P-C4'-P energy: -40.878 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: 10, replica: 2 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -605.098830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.098830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.098830 (E_RNA) where: Base-Base interactions energy: -388.329 where: short stacking energy: -177.288 Base-Backbone interact. energy: 1.113 local terms energy: -217.882936 where: bonds (distance) C4'-P energy: -47.623 bonds (distance) P-C4' energy: -61.057 flat angles C4'-P-C4' energy: -42.808 flat angles P-C4'-P energy: -31.726 tors. eta vs tors. theta energy: -34.669 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: 4 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1180.956822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.956822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.956822 (E_RNA) where: Base-Base interactions energy: -818.061 where: short stacking energy: -371.573 Base-Backbone interact. energy: -1.842 local terms energy: -361.053633 where: bonds (distance) C4'-P energy: -69.674 bonds (distance) P-C4' energy: -58.117 flat angles C4'-P-C4' energy: -69.377 flat angles P-C4'-P energy: -53.547 tors. eta vs tors. theta energy: -110.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1139.479210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.479210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.479210 (E_RNA) where: Base-Base interactions energy: -830.909 where: short stacking energy: -304.853 Base-Backbone interact. energy: -0.634 local terms energy: -307.936199 where: bonds (distance) C4'-P energy: -62.696 bonds (distance) P-C4' energy: -60.617 flat angles C4'-P-C4' energy: -69.555 flat angles P-C4'-P energy: -43.581 tors. eta vs tors. theta energy: -71.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1175.266756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.266756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.266756 (E_RNA) where: Base-Base interactions energy: -818.853 where: short stacking energy: -353.723 Base-Backbone interact. energy: -0.768 local terms energy: -355.645239 where: bonds (distance) C4'-P energy: -63.320 bonds (distance) P-C4' energy: -62.846 flat angles C4'-P-C4' energy: -69.863 flat angles P-C4'-P energy: -57.574 tors. eta vs tors. theta energy: -102.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1053.315182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.315182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.315182 (E_RNA) where: Base-Base interactions energy: -736.866 where: short stacking energy: -318.420 Base-Backbone interact. energy: 0.958 local terms energy: -317.407144 where: bonds (distance) C4'-P energy: -57.284 bonds (distance) P-C4' energy: -57.187 flat angles C4'-P-C4' energy: -64.968 flat angles P-C4'-P energy: -45.223 tors. eta vs tors. theta energy: -92.746 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: 8 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -949.513727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.513727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.513727 (E_RNA) where: Base-Base interactions energy: -673.491 where: short stacking energy: -284.811 Base-Backbone interact. energy: -1.031 local terms energy: -274.991916 where: bonds (distance) C4'-P energy: -55.385 bonds (distance) P-C4' energy: -51.669 flat angles C4'-P-C4' energy: -69.605 flat angles P-C4'-P energy: -47.698 tors. eta vs tors. theta energy: -50.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -967.337967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.337967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.337967 (E_RNA) where: Base-Base interactions energy: -673.266 where: short stacking energy: -271.701 Base-Backbone interact. energy: -3.445 local terms energy: -290.627487 where: bonds (distance) C4'-P energy: -52.073 bonds (distance) P-C4' energy: -50.389 flat angles C4'-P-C4' energy: -64.075 flat angles P-C4'-P energy: -49.369 tors. eta vs tors. theta energy: -74.722 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: 7 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -854.382803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.382803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.382803 (E_RNA) where: Base-Base interactions energy: -593.934 where: short stacking energy: -255.489 Base-Backbone interact. energy: -1.069 local terms energy: -259.380678 where: bonds (distance) C4'-P energy: -48.739 bonds (distance) P-C4' energy: -57.063 flat angles C4'-P-C4' energy: -67.520 flat angles P-C4'-P energy: -26.753 tors. eta vs tors. theta energy: -59.305 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: 5 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -792.673359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.673359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.673359 (E_RNA) where: Base-Base interactions energy: -533.871 where: short stacking energy: -247.214 Base-Backbone interact. energy: 2.056 local terms energy: -260.858009 where: bonds (distance) C4'-P energy: -58.668 bonds (distance) P-C4' energy: -55.078 flat angles C4'-P-C4' energy: -54.290 flat angles P-C4'-P energy: -40.240 tors. eta vs tors. theta energy: -52.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -653.183040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.183040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.183040 (E_RNA) where: Base-Base interactions energy: -427.430 where: short stacking energy: -186.663 Base-Backbone interact. energy: -1.276 local terms energy: -224.476335 where: bonds (distance) C4'-P energy: -44.452 bonds (distance) P-C4' energy: -62.546 flat angles C4'-P-C4' energy: -45.766 flat angles P-C4'-P energy: -41.933 tors. eta vs tors. theta energy: -29.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -638.593015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.593015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.593015 (E_RNA) where: Base-Base interactions energy: -413.065 where: short stacking energy: -169.263 Base-Backbone interact. energy: 1.941 local terms energy: -227.469208 where: bonds (distance) C4'-P energy: -47.483 bonds (distance) P-C4' energy: -68.809 flat angles C4'-P-C4' energy: -53.015 flat angles P-C4'-P energy: -31.675 tors. eta vs tors. theta energy: -26.487 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: 4 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1192.464200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.464200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.464200 (E_RNA) where: Base-Base interactions energy: -831.426 where: short stacking energy: -382.111 Base-Backbone interact. energy: 0.669 local terms energy: -361.707146 where: bonds (distance) C4'-P energy: -65.711 bonds (distance) P-C4' energy: -64.911 flat angles C4'-P-C4' energy: -73.646 flat angles P-C4'-P energy: -47.716 tors. eta vs tors. theta energy: -109.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1153.520839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.520839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.520839 (E_RNA) where: Base-Base interactions energy: -817.125 where: short stacking energy: -344.207 Base-Backbone interact. energy: -1.013 local terms energy: -335.382547 where: bonds (distance) C4'-P energy: -63.763 bonds (distance) P-C4' energy: -60.885 flat angles C4'-P-C4' energy: -69.262 flat angles P-C4'-P energy: -44.197 tors. eta vs tors. theta energy: -97.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1127.134490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.134490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.134490 (E_RNA) where: Base-Base interactions energy: -816.308 where: short stacking energy: -305.253 Base-Backbone interact. energy: -3.248 local terms energy: -307.579276 where: bonds (distance) C4'-P energy: -60.681 bonds (distance) P-C4' energy: -60.320 flat angles C4'-P-C4' energy: -67.483 flat angles P-C4'-P energy: -41.404 tors. eta vs tors. theta energy: -77.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1056.725614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.725614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.725614 (E_RNA) where: Base-Base interactions energy: -735.588 where: short stacking energy: -318.812 Base-Backbone interact. energy: -1.820 local terms energy: -319.317097 where: bonds (distance) C4'-P energy: -64.156 bonds (distance) P-C4' energy: -58.106 flat angles C4'-P-C4' energy: -71.463 flat angles P-C4'-P energy: -32.922 tors. eta vs tors. theta energy: -92.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -968.099843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.099843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.099843 (E_RNA) where: Base-Base interactions energy: -690.357 where: short stacking energy: -306.304 Base-Backbone interact. energy: 0.923 local terms energy: -278.666387 where: bonds (distance) C4'-P energy: -40.016 bonds (distance) P-C4' energy: -55.946 flat angles C4'-P-C4' energy: -71.147 flat angles P-C4'-P energy: -41.544 tors. eta vs tors. theta energy: -70.013 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: 6, replica: 6 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -971.176807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.176807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.176807 (E_RNA) where: Base-Base interactions energy: -665.863 where: short stacking energy: -283.149 Base-Backbone interact. energy: -2.010 local terms energy: -303.303316 where: bonds (distance) C4'-P energy: -54.813 bonds (distance) P-C4' energy: -60.469 flat angles C4'-P-C4' energy: -62.472 flat angles P-C4'-P energy: -53.373 tors. eta vs tors. theta energy: -72.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -886.969020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.969020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.969020 (E_RNA) where: Base-Base interactions energy: -598.172 where: short stacking energy: -260.875 Base-Backbone interact. energy: -1.682 local terms energy: -287.114838 where: bonds (distance) C4'-P energy: -59.389 bonds (distance) P-C4' energy: -56.188 flat angles C4'-P-C4' energy: -66.755 flat angles P-C4'-P energy: -36.330 tors. eta vs tors. theta energy: -68.453 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: 5 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -782.879785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.879785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.879785 (E_RNA) where: Base-Base interactions energy: -529.572 where: short stacking energy: -232.410 Base-Backbone interact. energy: -1.546 local terms energy: -251.762243 where: bonds (distance) C4'-P energy: -48.215 bonds (distance) P-C4' energy: -49.155 flat angles C4'-P-C4' energy: -63.395 flat angles P-C4'-P energy: -33.815 tors. eta vs tors. theta energy: -57.183 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: 329 Temperature: 1.300000 Total energy: -657.390729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.390729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.390729 (E_RNA) where: Base-Base interactions energy: -436.601 where: short stacking energy: -199.955 Base-Backbone interact. energy: -0.188 local terms energy: -220.601572 where: bonds (distance) C4'-P energy: -59.535 bonds (distance) P-C4' energy: -48.996 flat angles C4'-P-C4' energy: -53.081 flat angles P-C4'-P energy: -28.458 tors. eta vs tors. theta energy: -30.531 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: 2 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -597.501975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.501975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.501975 (E_RNA) where: Base-Base interactions energy: -385.969 where: short stacking energy: -169.856 Base-Backbone interact. energy: -1.750 local terms energy: -209.782829 where: bonds (distance) C4'-P energy: -34.529 bonds (distance) P-C4' energy: -50.442 flat angles C4'-P-C4' energy: -54.706 flat angles P-C4'-P energy: -42.138 tors. eta vs tors. theta energy: -27.967 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: 4 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1195.709719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.709719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.709719 (E_RNA) where: Base-Base interactions energy: -815.552 where: short stacking energy: -367.556 Base-Backbone interact. energy: -1.604 local terms energy: -378.553046 where: bonds (distance) C4'-P energy: -66.911 bonds (distance) P-C4' energy: -72.007 flat angles C4'-P-C4' energy: -75.499 flat angles P-C4'-P energy: -55.664 tors. eta vs tors. theta energy: -108.473 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: 2, replica: 10 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1169.016066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.016066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.016066 (E_RNA) where: Base-Base interactions energy: -830.550 where: short stacking energy: -353.531 Base-Backbone interact. energy: -0.653 local terms energy: -337.813043 where: bonds (distance) C4'-P energy: -60.558 bonds (distance) P-C4' energy: -70.599 flat angles C4'-P-C4' energy: -63.124 flat angles P-C4'-P energy: -45.807 tors. eta vs tors. theta energy: -97.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1118.619210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.619210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.619210 (E_RNA) where: Base-Base interactions energy: -813.450 where: short stacking energy: -319.749 Base-Backbone interact. energy: 0.426 local terms energy: -305.595899 where: bonds (distance) C4'-P energy: -57.001 bonds (distance) P-C4' energy: -60.288 flat angles C4'-P-C4' energy: -65.510 flat angles P-C4'-P energy: -43.484 tors. eta vs tors. theta energy: -79.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1051.586149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.586149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.586149 (E_RNA) where: Base-Base interactions energy: -736.274 where: short stacking energy: -343.366 Base-Backbone interact. energy: -1.163 local terms energy: -314.149179 where: bonds (distance) C4'-P energy: -55.159 bonds (distance) P-C4' energy: -60.544 flat angles C4'-P-C4' energy: -64.413 flat angles P-C4'-P energy: -48.524 tors. eta vs tors. theta energy: -85.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -992.190223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.190223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.190223 (E_RNA) where: Base-Base interactions energy: -691.647 where: short stacking energy: -298.671 Base-Backbone interact. energy: 2.386 local terms energy: -302.929564 where: bonds (distance) C4'-P energy: -53.229 bonds (distance) P-C4' energy: -58.114 flat angles C4'-P-C4' energy: -66.819 flat angles P-C4'-P energy: -46.319 tors. eta vs tors. theta energy: -78.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -933.119665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.119665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.119665 (E_RNA) where: Base-Base interactions energy: -652.907 where: short stacking energy: -295.301 Base-Backbone interact. energy: 1.150 local terms energy: -281.362625 where: bonds (distance) C4'-P energy: -46.250 bonds (distance) P-C4' energy: -60.424 flat angles C4'-P-C4' energy: -60.802 flat angles P-C4'-P energy: -35.561 tors. eta vs tors. theta energy: -78.326 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: 330 Temperature: 1.200000 Total energy: -875.754117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.754117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.754117 (E_RNA) where: Base-Base interactions energy: -588.961 where: short stacking energy: -246.425 Base-Backbone interact. energy: -1.130 local terms energy: -285.663488 where: bonds (distance) C4'-P energy: -58.132 bonds (distance) P-C4' energy: -64.469 flat angles C4'-P-C4' energy: -64.863 flat angles P-C4'-P energy: -35.838 tors. eta vs tors. theta energy: -62.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -807.937654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.937654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.937654 (E_RNA) where: Base-Base interactions energy: -560.661 where: short stacking energy: -234.208 Base-Backbone interact. energy: -0.863 local terms energy: -246.413962 where: bonds (distance) C4'-P energy: -49.311 bonds (distance) P-C4' energy: -40.770 flat angles C4'-P-C4' energy: -63.668 flat angles P-C4'-P energy: -35.551 tors. eta vs tors. theta energy: -57.113 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: 9, replica: 3 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -655.355837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.355837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.355837 (E_RNA) where: Base-Base interactions energy: -436.431 where: short stacking energy: -222.641 Base-Backbone interact. energy: 7.446 local terms energy: -226.370806 where: bonds (distance) C4'-P energy: -41.786 bonds (distance) P-C4' energy: -53.999 flat angles C4'-P-C4' energy: -49.570 flat angles P-C4'-P energy: -35.735 tors. eta vs tors. theta energy: -45.281 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: 2 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -570.194158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.194158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.194158 (E_RNA) where: Base-Base interactions energy: -363.964 where: short stacking energy: -166.904 Base-Backbone interact. energy: -1.123 local terms energy: -205.106856 where: bonds (distance) C4'-P energy: -37.769 bonds (distance) P-C4' energy: -55.520 flat angles C4'-P-C4' energy: -47.132 flat angles P-C4'-P energy: -34.535 tors. eta vs tors. theta energy: -30.152 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: 4 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1199.032587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.032587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.032587 (E_RNA) where: Base-Base interactions energy: -825.268 where: short stacking energy: -363.519 Base-Backbone interact. energy: -0.257 local terms energy: -373.506941 where: bonds (distance) C4'-P energy: -73.671 bonds (distance) P-C4' energy: -61.830 flat angles C4'-P-C4' energy: -73.825 flat angles P-C4'-P energy: -55.544 tors. eta vs tors. theta energy: -108.637 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: 2, replica: 10 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1154.082557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.082557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.082557 (E_RNA) where: Base-Base interactions energy: -811.656 where: short stacking energy: -343.009 Base-Backbone interact. energy: -0.890 local terms energy: -341.535979 where: bonds (distance) C4'-P energy: -68.157 bonds (distance) P-C4' energy: -63.908 flat angles C4'-P-C4' energy: -71.230 flat angles P-C4'-P energy: -44.341 tors. eta vs tors. theta energy: -93.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1135.055454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.055454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.055454 (E_RNA) where: Base-Base interactions energy: -813.503 where: short stacking energy: -309.005 Base-Backbone interact. energy: -1.628 local terms energy: -319.924156 where: bonds (distance) C4'-P energy: -65.631 bonds (distance) P-C4' energy: -62.295 flat angles C4'-P-C4' energy: -67.496 flat angles P-C4'-P energy: -47.749 tors. eta vs tors. theta energy: -76.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1053.890453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.890453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.890453 (E_RNA) where: Base-Base interactions energy: -740.024 where: short stacking energy: -320.343 Base-Backbone interact. energy: -1.696 local terms energy: -312.170381 where: bonds (distance) C4'-P energy: -56.105 bonds (distance) P-C4' energy: -53.609 flat angles C4'-P-C4' energy: -66.887 flat angles P-C4'-P energy: -45.512 tors. eta vs tors. theta energy: -90.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1002.195278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.195278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.195278 (E_RNA) where: Base-Base interactions energy: -696.055 where: short stacking energy: -290.364 Base-Backbone interact. energy: 3.994 local terms energy: -310.134347 where: bonds (distance) C4'-P energy: -53.028 bonds (distance) P-C4' energy: -62.575 flat angles C4'-P-C4' energy: -70.256 flat angles P-C4'-P energy: -45.195 tors. eta vs tors. theta energy: -79.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -955.321576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.321576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.321576 (E_RNA) where: Base-Base interactions energy: -660.615 where: short stacking energy: -273.188 Base-Backbone interact. energy: -0.904 local terms energy: -293.802113 where: bonds (distance) C4'-P energy: -64.158 bonds (distance) P-C4' energy: -68.357 flat angles C4'-P-C4' energy: -66.335 flat angles P-C4'-P energy: -36.059 tors. eta vs tors. theta energy: -58.893 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: 331 Temperature: 1.200000 Total energy: -880.525487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.525487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.525487 (E_RNA) where: Base-Base interactions energy: -582.840 where: short stacking energy: -249.821 Base-Backbone interact. energy: 1.612 local terms energy: -299.297845 where: bonds (distance) C4'-P energy: -65.282 bonds (distance) P-C4' energy: -57.912 flat angles C4'-P-C4' energy: -69.135 flat angles P-C4'-P energy: -41.312 tors. eta vs tors. theta energy: -65.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -834.548743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.548743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.548743 (E_RNA) where: Base-Base interactions energy: -561.788 where: short stacking energy: -237.435 Base-Backbone interact. energy: 0.354 local terms energy: -273.114903 where: bonds (distance) C4'-P energy: -53.383 bonds (distance) P-C4' energy: -62.844 flat angles C4'-P-C4' energy: -62.967 flat angles P-C4'-P energy: -32.023 tors. eta vs tors. theta energy: -61.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -628.032237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.032237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.032237 (E_RNA) where: Base-Base interactions energy: -398.798 where: short stacking energy: -191.903 Base-Backbone interact. energy: -1.082 local terms energy: -228.151518 where: bonds (distance) C4'-P energy: -42.710 bonds (distance) P-C4' energy: -54.987 flat angles C4'-P-C4' energy: -63.005 flat angles P-C4'-P energy: -32.034 tors. eta vs tors. theta energy: -35.415 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: 2 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -563.513734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.513734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.513734 (E_RNA) where: Base-Base interactions energy: -371.158 where: short stacking energy: -180.150 Base-Backbone interact. energy: -0.124 local terms energy: -192.230979 where: bonds (distance) C4'-P energy: -41.932 bonds (distance) P-C4' energy: -44.331 flat angles C4'-P-C4' energy: -47.989 flat angles P-C4'-P energy: -26.797 tors. eta vs tors. theta energy: -31.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1185.259590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.259590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.259590 (E_RNA) where: Base-Base interactions energy: -823.877 where: short stacking energy: -343.593 Base-Backbone interact. energy: -2.822 local terms energy: -358.560370 where: bonds (distance) C4'-P energy: -70.456 bonds (distance) P-C4' energy: -65.276 flat angles C4'-P-C4' energy: -76.651 flat angles P-C4'-P energy: -55.648 tors. eta vs tors. theta energy: -90.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1174.091818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.091818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.091818 (E_RNA) where: Base-Base interactions energy: -812.365 where: short stacking energy: -359.461 Base-Backbone interact. energy: -0.696 local terms energy: -361.030931 where: bonds (distance) C4'-P energy: -54.999 bonds (distance) P-C4' energy: -74.277 flat angles C4'-P-C4' energy: -77.387 flat angles P-C4'-P energy: -47.531 tors. eta vs tors. theta energy: -106.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1144.918704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.918704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.918704 (E_RNA) where: Base-Base interactions energy: -838.137 where: short stacking energy: -324.457 Base-Backbone interact. energy: 0.147 local terms energy: -306.928663 where: bonds (distance) C4'-P energy: -60.217 bonds (distance) P-C4' energy: -57.527 flat angles C4'-P-C4' energy: -63.096 flat angles P-C4'-P energy: -53.292 tors. eta vs tors. theta energy: -72.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1050.516075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.516075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.516075 (E_RNA) where: Base-Base interactions energy: -727.261 where: short stacking energy: -313.855 Base-Backbone interact. energy: -2.829 local terms energy: -320.426082 where: bonds (distance) C4'-P energy: -53.378 bonds (distance) P-C4' energy: -66.267 flat angles C4'-P-C4' energy: -67.671 flat angles P-C4'-P energy: -48.847 tors. eta vs tors. theta energy: -84.263 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: 8 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -955.095281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.095281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.095281 (E_RNA) where: Base-Base interactions energy: -677.886 where: short stacking energy: -286.465 Base-Backbone interact. energy: -1.758 local terms energy: -275.450834 where: bonds (distance) C4'-P energy: -51.268 bonds (distance) P-C4' energy: -52.749 flat angles C4'-P-C4' energy: -58.417 flat angles P-C4'-P energy: -42.468 tors. eta vs tors. theta energy: -70.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -964.387800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.387800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.387800 (E_RNA) where: Base-Base interactions energy: -682.992 where: short stacking energy: -276.401 Base-Backbone interact. energy: 3.860 local terms energy: -285.255924 where: bonds (distance) C4'-P energy: -57.259 bonds (distance) P-C4' energy: -50.116 flat angles C4'-P-C4' energy: -63.790 flat angles P-C4'-P energy: -42.847 tors. eta vs tors. theta energy: -71.243 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: 5 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -897.458308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.458308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.458308 (E_RNA) where: Base-Base interactions energy: -616.020 where: short stacking energy: -289.762 Base-Backbone interact. energy: -1.598 local terms energy: -279.839472 where: bonds (distance) C4'-P energy: -46.778 bonds (distance) P-C4' energy: -60.032 flat angles C4'-P-C4' energy: -51.842 flat angles P-C4'-P energy: -47.620 tors. eta vs tors. theta energy: -73.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -875.111114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.111114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.111114 (E_RNA) where: Base-Base interactions energy: -592.981 where: short stacking energy: -249.821 Base-Backbone interact. energy: -2.338 local terms energy: -279.792748 where: bonds (distance) C4'-P energy: -51.681 bonds (distance) P-C4' energy: -54.879 flat angles C4'-P-C4' energy: -65.673 flat angles P-C4'-P energy: -40.449 tors. eta vs tors. theta energy: -67.111 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: 2 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -649.852142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.852142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.852142 (E_RNA) where: Base-Base interactions energy: -423.332 where: short stacking energy: -200.041 Base-Backbone interact. energy: 0.780 local terms energy: -227.300718 where: bonds (distance) C4'-P energy: -57.717 bonds (distance) P-C4' energy: -60.984 flat angles C4'-P-C4' energy: -47.342 flat angles P-C4'-P energy: -26.829 tors. eta vs tors. theta energy: -34.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -642.914783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.914783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.914783 (E_RNA) where: Base-Base interactions energy: -417.332 where: short stacking energy: -192.779 Base-Backbone interact. energy: 1.152 local terms energy: -226.734931 where: bonds (distance) C4'-P energy: -59.468 bonds (distance) P-C4' energy: -52.302 flat angles C4'-P-C4' energy: -49.314 flat angles P-C4'-P energy: -25.744 tors. eta vs tors. theta energy: -39.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1209.775235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.775235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.775235 (E_RNA) where: Base-Base interactions energy: -850.751 where: short stacking energy: -368.153 Base-Backbone interact. energy: -4.623 local terms energy: -354.401933 where: bonds (distance) C4'-P energy: -66.996 bonds (distance) P-C4' energy: -60.996 flat angles C4'-P-C4' energy: -78.155 flat angles P-C4'-P energy: -49.444 tors. eta vs tors. theta energy: -98.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1159.176719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.176719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.176719 (E_RNA) where: Base-Base interactions energy: -808.389 where: short stacking energy: -362.923 Base-Backbone interact. energy: 1.280 local terms energy: -352.067468 where: bonds (distance) C4'-P energy: -58.034 bonds (distance) P-C4' energy: -67.837 flat angles C4'-P-C4' energy: -73.058 flat angles P-C4'-P energy: -48.473 tors. eta vs tors. theta energy: -104.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1137.155429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.155429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.155429 (E_RNA) where: Base-Base interactions energy: -838.829 where: short stacking energy: -330.448 Base-Backbone interact. energy: -2.594 local terms energy: -295.732226 where: bonds (distance) C4'-P energy: -56.856 bonds (distance) P-C4' energy: -54.114 flat angles C4'-P-C4' energy: -66.417 flat angles P-C4'-P energy: -38.721 tors. eta vs tors. theta energy: -79.624 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: 333 Temperature: 1.050000 Total energy: -1036.899496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.899496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.899496 (E_RNA) where: Base-Base interactions energy: -723.838 where: short stacking energy: -302.631 Base-Backbone interact. energy: -0.232 local terms energy: -312.828949 where: bonds (distance) C4'-P energy: -62.667 bonds (distance) P-C4' energy: -72.041 flat angles C4'-P-C4' energy: -65.024 flat angles P-C4'-P energy: -34.519 tors. eta vs tors. theta energy: -78.578 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: 8 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -953.169856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.169856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.169856 (E_RNA) where: Base-Base interactions energy: -670.452 where: short stacking energy: -291.339 Base-Backbone interact. energy: 2.655 local terms energy: -285.372857 where: bonds (distance) C4'-P energy: -55.163 bonds (distance) P-C4' energy: -55.991 flat angles C4'-P-C4' energy: -61.313 flat angles P-C4'-P energy: -43.366 tors. eta vs tors. theta energy: -69.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -976.281148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.281148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.281148 (E_RNA) where: Base-Base interactions energy: -692.972 where: short stacking energy: -308.743 Base-Backbone interact. energy: 0.305 local terms energy: -283.613735 where: bonds (distance) C4'-P energy: -54.279 bonds (distance) P-C4' energy: -47.461 flat angles C4'-P-C4' energy: -67.022 flat angles P-C4'-P energy: -34.371 tors. eta vs tors. theta energy: -80.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -915.795605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.795605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.795605 (E_RNA) where: Base-Base interactions energy: -613.711 where: short stacking energy: -273.228 Base-Backbone interact. energy: -2.350 local terms energy: -299.734674 where: bonds (distance) C4'-P energy: -57.694 bonds (distance) P-C4' energy: -57.801 flat angles C4'-P-C4' energy: -70.556 flat angles P-C4'-P energy: -39.230 tors. eta vs tors. theta energy: -74.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -845.557875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.557875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.557875 (E_RNA) where: Base-Base interactions energy: -562.771 where: short stacking energy: -236.584 Base-Backbone interact. energy: -0.301 local terms energy: -282.486648 where: bonds (distance) C4'-P energy: -62.573 bonds (distance) P-C4' energy: -56.259 flat angles C4'-P-C4' energy: -61.828 flat angles P-C4'-P energy: -37.421 tors. eta vs tors. theta energy: -64.405 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: 2 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -624.763606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.763606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.763606 (E_RNA) where: Base-Base interactions energy: -395.325 where: short stacking energy: -179.040 Base-Backbone interact. energy: -2.779 local terms energy: -226.659031 where: bonds (distance) C4'-P energy: -49.766 bonds (distance) P-C4' energy: -45.428 flat angles C4'-P-C4' energy: -56.521 flat angles P-C4'-P energy: -42.733 tors. eta vs tors. theta energy: -32.210 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: 10, replica: 3 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -625.243140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.243140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.243140 (E_RNA) where: Base-Base interactions energy: -398.308 where: short stacking energy: -178.963 Base-Backbone interact. energy: -2.504 local terms energy: -224.431200 where: bonds (distance) C4'-P energy: -58.578 bonds (distance) P-C4' energy: -57.377 flat angles C4'-P-C4' energy: -50.885 flat angles P-C4'-P energy: -31.779 tors. eta vs tors. theta energy: -25.813 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: 4 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1196.971338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.971338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.971338 (E_RNA) where: Base-Base interactions energy: -847.461 where: short stacking energy: -352.264 Base-Backbone interact. energy: 0.296 local terms energy: -349.805461 where: bonds (distance) C4'-P energy: -58.554 bonds (distance) P-C4' energy: -64.109 flat angles C4'-P-C4' energy: -75.308 flat angles P-C4'-P energy: -46.680 tors. eta vs tors. theta energy: -105.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1176.393697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.393697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.393697 (E_RNA) where: Base-Base interactions energy: -833.649 where: short stacking energy: -346.309 Base-Backbone interact. energy: -2.213 local terms energy: -340.531842 where: bonds (distance) C4'-P energy: -51.974 bonds (distance) P-C4' energy: -65.090 flat angles C4'-P-C4' energy: -81.033 flat angles P-C4'-P energy: -48.818 tors. eta vs tors. theta energy: -93.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1135.474092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.474092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.474092 (E_RNA) where: Base-Base interactions energy: -821.818 where: short stacking energy: -328.112 Base-Backbone interact. energy: -0.617 local terms energy: -313.039203 where: bonds (distance) C4'-P energy: -60.563 bonds (distance) P-C4' energy: -64.894 flat angles C4'-P-C4' energy: -67.760 flat angles P-C4'-P energy: -44.130 tors. eta vs tors. theta energy: -75.692 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: 4, replica: 9 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1059.309972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.309972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.309972 (E_RNA) where: Base-Base interactions energy: -749.935 where: short stacking energy: -329.312 Base-Backbone interact. energy: 0.784 local terms energy: -310.158715 where: bonds (distance) C4'-P energy: -51.278 bonds (distance) P-C4' energy: -63.671 flat angles C4'-P-C4' energy: -67.772 flat angles P-C4'-P energy: -48.785 tors. eta vs tors. theta energy: -78.653 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: 6 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1009.414967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.414967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.414967 (E_RNA) where: Base-Base interactions energy: -710.028 where: short stacking energy: -300.994 Base-Backbone interact. energy: -0.281 local terms energy: -299.106096 where: bonds (distance) C4'-P energy: -57.939 bonds (distance) P-C4' energy: -54.336 flat angles C4'-P-C4' energy: -70.171 flat angles P-C4'-P energy: -39.034 tors. eta vs tors. theta energy: -77.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -942.628451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.628451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.628451 (E_RNA) where: Base-Base interactions energy: -675.072 where: short stacking energy: -290.622 Base-Backbone interact. energy: -1.207 local terms energy: -266.349335 where: bonds (distance) C4'-P energy: -44.867 bonds (distance) P-C4' energy: -50.701 flat angles C4'-P-C4' energy: -57.204 flat angles P-C4'-P energy: -35.657 tors. eta vs tors. theta energy: -77.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -846.042927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.042927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.042927 (E_RNA) where: Base-Base interactions energy: -602.185 where: short stacking energy: -252.136 Base-Backbone interact. energy: 4.444 local terms energy: -248.302785 where: bonds (distance) C4'-P energy: -50.085 bonds (distance) P-C4' energy: -38.466 flat angles C4'-P-C4' energy: -58.372 flat angles P-C4'-P energy: -42.567 tors. eta vs tors. theta energy: -58.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -779.753955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.753955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.753955 (E_RNA) where: Base-Base interactions energy: -505.624 where: short stacking energy: -225.672 Base-Backbone interact. energy: -1.260 local terms energy: -272.870488 where: bonds (distance) C4'-P energy: -57.433 bonds (distance) P-C4' energy: -60.016 flat angles C4'-P-C4' energy: -58.455 flat angles P-C4'-P energy: -36.868 tors. eta vs tors. theta energy: -60.097 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: 2 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -670.984807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.984807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.984807 (E_RNA) where: Base-Base interactions energy: -447.540 where: short stacking energy: -227.789 Base-Backbone interact. energy: 1.499 local terms energy: -224.944005 where: bonds (distance) C4'-P energy: -38.550 bonds (distance) P-C4' energy: -64.502 flat angles C4'-P-C4' energy: -42.764 flat angles P-C4'-P energy: -29.014 tors. eta vs tors. theta energy: -50.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -550.491483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.491483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.491483 (E_RNA) where: Base-Base interactions energy: -327.290 where: short stacking energy: -144.239 Base-Backbone interact. energy: 1.136 local terms energy: -224.337183 where: bonds (distance) C4'-P energy: -55.354 bonds (distance) P-C4' energy: -58.147 flat angles C4'-P-C4' energy: -56.888 flat angles P-C4'-P energy: -31.144 tors. eta vs tors. theta energy: -22.804 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: 4 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1202.878719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.878719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.878719 (E_RNA) where: Base-Base interactions energy: -823.342 where: short stacking energy: -357.283 Base-Backbone interact. energy: -1.712 local terms energy: -377.824727 where: bonds (distance) C4'-P energy: -67.961 bonds (distance) P-C4' energy: -65.117 flat angles C4'-P-C4' energy: -81.117 flat angles P-C4'-P energy: -52.808 tors. eta vs tors. theta energy: -110.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1167.989824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.989824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.989824 (E_RNA) where: Base-Base interactions energy: -834.788 where: short stacking energy: -349.187 Base-Backbone interact. energy: -0.987 local terms energy: -332.214573 where: bonds (distance) C4'-P energy: -60.848 bonds (distance) P-C4' energy: -60.421 flat angles C4'-P-C4' energy: -74.819 flat angles P-C4'-P energy: -46.859 tors. eta vs tors. theta energy: -89.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1110.563412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.563412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.563412 (E_RNA) where: Base-Base interactions energy: -810.288 where: short stacking energy: -308.455 Base-Backbone interact. energy: -1.703 local terms energy: -298.572422 where: bonds (distance) C4'-P energy: -49.130 bonds (distance) P-C4' energy: -61.746 flat angles C4'-P-C4' energy: -60.936 flat angles P-C4'-P energy: -59.738 tors. eta vs tors. theta energy: -67.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1034.070348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.070348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.070348 (E_RNA) where: Base-Base interactions energy: -718.086 where: short stacking energy: -315.222 Base-Backbone interact. energy: 4.815 local terms energy: -320.799500 where: bonds (distance) C4'-P energy: -65.170 bonds (distance) P-C4' energy: -57.835 flat angles C4'-P-C4' energy: -69.741 flat angles P-C4'-P energy: -42.518 tors. eta vs tors. theta energy: -85.536 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: 6 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -978.622951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.622951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.622951 (E_RNA) where: Base-Base interactions energy: -689.408 where: short stacking energy: -279.192 Base-Backbone interact. energy: -0.519 local terms energy: -288.696339 where: bonds (distance) C4'-P energy: -51.783 bonds (distance) P-C4' energy: -61.916 flat angles C4'-P-C4' energy: -59.665 flat angles P-C4'-P energy: -40.242 tors. eta vs tors. theta energy: -75.089 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: 8 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -970.888549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.888549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.888549 (E_RNA) where: Base-Base interactions energy: -666.758 where: short stacking energy: -271.231 Base-Backbone interact. energy: -1.096 local terms energy: -303.034884 where: bonds (distance) C4'-P energy: -57.821 bonds (distance) P-C4' energy: -65.447 flat angles C4'-P-C4' energy: -67.865 flat angles P-C4'-P energy: -36.727 tors. eta vs tors. theta energy: -75.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -838.973783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.973783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.973783 (E_RNA) where: Base-Base interactions energy: -573.675 where: short stacking energy: -266.295 Base-Backbone interact. energy: -0.387 local terms energy: -264.912083 where: bonds (distance) C4'-P energy: -50.791 bonds (distance) P-C4' energy: -53.342 flat angles C4'-P-C4' energy: -57.127 flat angles P-C4'-P energy: -37.654 tors. eta vs tors. theta energy: -65.998 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: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -780.511880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.511880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.511880 (E_RNA) where: Base-Base interactions energy: -523.185 where: short stacking energy: -226.500 Base-Backbone interact. energy: -1.628 local terms energy: -255.699490 where: bonds (distance) C4'-P energy: -51.482 bonds (distance) P-C4' energy: -57.196 flat angles C4'-P-C4' energy: -58.606 flat angles P-C4'-P energy: -30.940 tors. eta vs tors. theta energy: -57.475 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: 2 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -668.301617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.301617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.301617 (E_RNA) where: Base-Base interactions energy: -442.904 where: short stacking energy: -186.630 Base-Backbone interact. energy: -1.288 local terms energy: -224.109875 where: bonds (distance) C4'-P energy: -43.074 bonds (distance) P-C4' energy: -57.720 flat angles C4'-P-C4' energy: -53.256 flat angles P-C4'-P energy: -37.807 tors. eta vs tors. theta energy: -32.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -560.603547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.603547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.603547 (E_RNA) where: Base-Base interactions energy: -349.095 where: short stacking energy: -168.471 Base-Backbone interact. energy: -3.384 local terms energy: -208.124417 where: bonds (distance) C4'-P energy: -43.175 bonds (distance) P-C4' energy: -44.719 flat angles C4'-P-C4' energy: -61.008 flat angles P-C4'-P energy: -34.865 tors. eta vs tors. theta energy: -24.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1188.733114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.733114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.733114 (E_RNA) where: Base-Base interactions energy: -829.765 where: short stacking energy: -349.989 Base-Backbone interact. energy: -0.058 local terms energy: -358.909691 where: bonds (distance) C4'-P energy: -69.944 bonds (distance) P-C4' energy: -65.302 flat angles C4'-P-C4' energy: -65.093 flat angles P-C4'-P energy: -56.743 tors. eta vs tors. theta energy: -101.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1169.609814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.609814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.609814 (E_RNA) where: Base-Base interactions energy: -811.592 where: short stacking energy: -369.769 Base-Backbone interact. energy: -0.250 local terms energy: -357.767787 where: bonds (distance) C4'-P energy: -58.658 bonds (distance) P-C4' energy: -61.040 flat angles C4'-P-C4' energy: -74.421 flat angles P-C4'-P energy: -58.083 tors. eta vs tors. theta energy: -105.566 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: 1 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1123.373954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.373954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.373954 (E_RNA) where: Base-Base interactions energy: -798.248 where: short stacking energy: -328.062 Base-Backbone interact. energy: -2.458 local terms energy: -322.667682 where: bonds (distance) C4'-P energy: -54.935 bonds (distance) P-C4' energy: -65.206 flat angles C4'-P-C4' energy: -69.185 flat angles P-C4'-P energy: -47.794 tors. eta vs tors. theta energy: -85.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1027.616807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.616807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.616807 (E_RNA) where: Base-Base interactions energy: -729.155 where: short stacking energy: -321.660 Base-Backbone interact. energy: -0.460 local terms energy: -298.001443 where: bonds (distance) C4'-P energy: -43.233 bonds (distance) P-C4' energy: -62.686 flat angles C4'-P-C4' energy: -66.993 flat angles P-C4'-P energy: -49.785 tors. eta vs tors. theta energy: -75.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -953.338528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.338528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.338528 (E_RNA) where: Base-Base interactions energy: -662.674 where: short stacking energy: -282.195 Base-Backbone interact. energy: -1.230 local terms energy: -289.434379 where: bonds (distance) C4'-P energy: -49.315 bonds (distance) P-C4' energy: -59.172 flat angles C4'-P-C4' energy: -67.124 flat angles P-C4'-P energy: -46.082 tors. eta vs tors. theta energy: -67.742 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: 6 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -933.116585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.116585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.116585 (E_RNA) where: Base-Base interactions energy: -664.167 where: short stacking energy: -262.415 Base-Backbone interact. energy: -1.924 local terms energy: -267.025626 where: bonds (distance) C4'-P energy: -47.869 bonds (distance) P-C4' energy: -52.846 flat angles C4'-P-C4' energy: -60.715 flat angles P-C4'-P energy: -41.188 tors. eta vs tors. theta energy: -64.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -816.673625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.673625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.673625 (E_RNA) where: Base-Base interactions energy: -542.014 where: short stacking energy: -227.022 Base-Backbone interact. energy: -0.933 local terms energy: -273.726784 where: bonds (distance) C4'-P energy: -54.291 bonds (distance) P-C4' energy: -59.283 flat angles C4'-P-C4' energy: -57.062 flat angles P-C4'-P energy: -41.779 tors. eta vs tors. theta energy: -61.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -780.579339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.579339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.579339 (E_RNA) where: Base-Base interactions energy: -529.647 where: short stacking energy: -248.193 Base-Backbone interact. energy: -1.870 local terms energy: -249.062251 where: bonds (distance) C4'-P energy: -38.789 bonds (distance) P-C4' energy: -63.955 flat angles C4'-P-C4' energy: -62.369 flat angles P-C4'-P energy: -31.732 tors. eta vs tors. theta energy: -52.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -714.681185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.681185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.681185 (E_RNA) where: Base-Base interactions energy: -482.685 where: short stacking energy: -209.771 Base-Backbone interact. energy: 1.912 local terms energy: -233.907601 where: bonds (distance) C4'-P energy: -47.826 bonds (distance) P-C4' energy: -64.404 flat angles C4'-P-C4' energy: -57.176 flat angles P-C4'-P energy: -34.668 tors. eta vs tors. theta energy: -29.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -562.057477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.057477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.057477 (E_RNA) where: Base-Base interactions energy: -364.903 where: short stacking energy: -165.181 Base-Backbone interact. energy: -2.789 local terms energy: -194.365429 where: bonds (distance) C4'-P energy: -36.544 bonds (distance) P-C4' energy: -59.955 flat angles C4'-P-C4' energy: -46.915 flat angles P-C4'-P energy: -30.479 tors. eta vs tors. theta energy: -20.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1204.508431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.508431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.508431 (E_RNA) where: Base-Base interactions energy: -866.214 where: short stacking energy: -365.218 Base-Backbone interact. energy: -3.099 local terms energy: -335.195871 where: bonds (distance) C4'-P energy: -63.357 bonds (distance) P-C4' energy: -51.784 flat angles C4'-P-C4' energy: -73.736 flat angles P-C4'-P energy: -52.202 tors. eta vs tors. theta energy: -94.117 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: 1 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1161.173707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.173707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.173707 (E_RNA) where: Base-Base interactions energy: -826.242 where: short stacking energy: -324.837 Base-Backbone interact. energy: -1.075 local terms energy: -333.856958 where: bonds (distance) C4'-P energy: -63.790 bonds (distance) P-C4' energy: -72.169 flat angles C4'-P-C4' energy: -74.389 flat angles P-C4'-P energy: -45.640 tors. eta vs tors. theta energy: -77.869 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: 3, replica: 4 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1143.450266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.450266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.450266 (E_RNA) where: Base-Base interactions energy: -786.150 where: short stacking energy: -360.025 Base-Backbone interact. energy: -2.125 local terms energy: -355.175578 where: bonds (distance) C4'-P energy: -64.260 bonds (distance) P-C4' energy: -63.137 flat angles C4'-P-C4' energy: -77.119 flat angles P-C4'-P energy: -48.351 tors. eta vs tors. theta energy: -102.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1000.726808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.726808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.726808 (E_RNA) where: Base-Base interactions energy: -682.141 where: short stacking energy: -307.924 Base-Backbone interact. energy: -1.381 local terms energy: -317.204823 where: bonds (distance) C4'-P energy: -57.747 bonds (distance) P-C4' energy: -64.657 flat angles C4'-P-C4' energy: -73.675 flat angles P-C4'-P energy: -41.428 tors. eta vs tors. theta energy: -79.698 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: 5, replica: 9 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -981.559152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.559152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.559152 (E_RNA) where: Base-Base interactions energy: -686.132 where: short stacking energy: -295.037 Base-Backbone interact. energy: -0.957 local terms energy: -294.470182 where: bonds (distance) C4'-P energy: -41.914 bonds (distance) P-C4' energy: -65.950 flat angles C4'-P-C4' energy: -72.788 flat angles P-C4'-P energy: -42.617 tors. eta vs tors. theta energy: -71.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -966.249759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.249759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.249759 (E_RNA) where: Base-Base interactions energy: -675.243 where: short stacking energy: -283.421 Base-Backbone interact. energy: 3.743 local terms energy: -294.750135 where: bonds (distance) C4'-P energy: -53.405 bonds (distance) P-C4' energy: -64.110 flat angles C4'-P-C4' energy: -60.648 flat angles P-C4'-P energy: -45.347 tors. eta vs tors. theta energy: -71.240 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: 5 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -846.559235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.559235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.559235 (E_RNA) where: Base-Base interactions energy: -566.967 where: short stacking energy: -260.823 Base-Backbone interact. energy: -2.181 local terms energy: -277.411199 where: bonds (distance) C4'-P energy: -59.531 bonds (distance) P-C4' energy: -56.572 flat angles C4'-P-C4' energy: -64.378 flat angles P-C4'-P energy: -31.151 tors. eta vs tors. theta energy: -65.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -730.722987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.722987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.722987 (E_RNA) where: Base-Base interactions energy: -514.060 where: short stacking energy: -225.008 Base-Backbone interact. energy: -1.751 local terms energy: -214.911807 where: bonds (distance) C4'-P energy: -49.930 bonds (distance) P-C4' energy: -33.235 flat angles C4'-P-C4' energy: -47.371 flat angles P-C4'-P energy: -35.395 tors. eta vs tors. theta energy: -48.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -732.080644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.080644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.080644 (E_RNA) where: Base-Base interactions energy: -490.449 where: short stacking energy: -237.908 Base-Backbone interact. energy: -0.804 local terms energy: -240.828026 where: bonds (distance) C4'-P energy: -47.444 bonds (distance) P-C4' energy: -59.652 flat angles C4'-P-C4' energy: -47.297 flat angles P-C4'-P energy: -31.224 tors. eta vs tors. theta energy: -55.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -586.087004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.087004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.087004 (E_RNA) where: Base-Base interactions energy: -382.748 where: short stacking energy: -184.062 Base-Backbone interact. energy: -0.054 local terms energy: -203.284952 where: bonds (distance) C4'-P energy: -26.774 bonds (distance) P-C4' energy: -53.321 flat angles C4'-P-C4' energy: -62.994 flat angles P-C4'-P energy: -38.735 tors. eta vs tors. theta energy: -21.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1222.062380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.062380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.062380 (E_RNA) where: Base-Base interactions energy: -861.418 where: short stacking energy: -353.633 Base-Backbone interact. energy: -1.029 local terms energy: -359.614864 where: bonds (distance) C4'-P energy: -68.992 bonds (distance) P-C4' energy: -64.037 flat angles C4'-P-C4' energy: -71.796 flat angles P-C4'-P energy: -53.453 tors. eta vs tors. theta energy: -101.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1122.048135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.048135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.048135 (E_RNA) where: Base-Base interactions energy: -798.033 where: short stacking energy: -304.300 Base-Backbone interact. energy: -1.122 local terms energy: -322.893060 where: bonds (distance) C4'-P energy: -64.379 bonds (distance) P-C4' energy: -67.565 flat angles C4'-P-C4' energy: -71.793 flat angles P-C4'-P energy: -45.233 tors. eta vs tors. theta energy: -73.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1134.044443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.044443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.044443 (E_RNA) where: Base-Base interactions energy: -790.432 where: short stacking energy: -348.949 Base-Backbone interact. energy: 0.474 local terms energy: -344.086441 where: bonds (distance) C4'-P energy: -62.836 bonds (distance) P-C4' energy: -63.507 flat angles C4'-P-C4' energy: -67.499 flat angles P-C4'-P energy: -47.222 tors. eta vs tors. theta energy: -103.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1003.317568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.317568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.317568 (E_RNA) where: Base-Base interactions energy: -704.577 where: short stacking energy: -294.266 Base-Backbone interact. energy: -0.904 local terms energy: -297.837079 where: bonds (distance) C4'-P energy: -64.102 bonds (distance) P-C4' energy: -51.468 flat angles C4'-P-C4' energy: -64.522 flat angles P-C4'-P energy: -47.698 tors. eta vs tors. theta energy: -70.048 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: 6 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -898.474655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.474655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.474655 (E_RNA) where: Base-Base interactions energy: -614.523 where: short stacking energy: -264.717 Base-Backbone interact. energy: -0.127 local terms energy: -283.824486 where: bonds (distance) C4'-P energy: -46.588 bonds (distance) P-C4' energy: -62.816 flat angles C4'-P-C4' energy: -68.620 flat angles P-C4'-P energy: -49.524 tors. eta vs tors. theta energy: -56.277 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: 9 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -960.989518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.989518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.989518 (E_RNA) where: Base-Base interactions energy: -648.091 where: short stacking energy: -290.737 Base-Backbone interact. energy: -1.687 local terms energy: -311.211573 where: bonds (distance) C4'-P energy: -57.617 bonds (distance) P-C4' energy: -63.469 flat angles C4'-P-C4' energy: -73.752 flat angles P-C4'-P energy: -36.841 tors. eta vs tors. theta energy: -79.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -771.620430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.620430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.620430 (E_RNA) where: Base-Base interactions energy: -524.762 where: short stacking energy: -233.578 Base-Backbone interact. energy: -0.816 local terms energy: -246.042146 where: bonds (distance) C4'-P energy: -40.375 bonds (distance) P-C4' energy: -48.272 flat angles C4'-P-C4' energy: -67.205 flat angles P-C4'-P energy: -45.158 tors. eta vs tors. theta energy: -45.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -785.473384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.473384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.473384 (E_RNA) where: Base-Base interactions energy: -524.343 where: short stacking energy: -223.762 Base-Backbone interact. energy: -0.109 local terms energy: -261.022031 where: bonds (distance) C4'-P energy: -56.377 bonds (distance) P-C4' energy: -48.602 flat angles C4'-P-C4' energy: -65.462 flat angles P-C4'-P energy: -38.046 tors. eta vs tors. theta energy: -52.535 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: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -704.940486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.940486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.940486 (E_RNA) where: Base-Base interactions energy: -450.997 where: short stacking energy: -204.281 Base-Backbone interact. energy: 3.193 local terms energy: -257.135884 where: bonds (distance) C4'-P energy: -54.687 bonds (distance) P-C4' energy: -45.120 flat angles C4'-P-C4' energy: -66.245 flat angles P-C4'-P energy: -41.862 tors. eta vs tors. theta energy: -49.221 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: 3 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -570.554498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.554498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.554498 (E_RNA) where: Base-Base interactions energy: -358.414 where: short stacking energy: -164.428 Base-Backbone interact. energy: -1.037 local terms energy: -211.103637 where: bonds (distance) C4'-P energy: -39.665 bonds (distance) P-C4' energy: -59.336 flat angles C4'-P-C4' energy: -57.219 flat angles P-C4'-P energy: -29.795 tors. eta vs tors. theta energy: -25.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1218.677955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.677955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.677955 (E_RNA) where: Base-Base interactions energy: -848.666 where: short stacking energy: -357.415 Base-Backbone interact. energy: -4.543 local terms energy: -365.468959 where: bonds (distance) C4'-P energy: -63.406 bonds (distance) P-C4' energy: -67.407 flat angles C4'-P-C4' energy: -72.437 flat angles P-C4'-P energy: -59.591 tors. eta vs tors. theta energy: -102.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1143.511093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.511093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.511093 (E_RNA) where: Base-Base interactions energy: -791.979 where: short stacking energy: -340.122 Base-Backbone interact. energy: -1.082 local terms energy: -350.449809 where: bonds (distance) C4'-P energy: -62.790 bonds (distance) P-C4' energy: -67.143 flat angles C4'-P-C4' energy: -74.046 flat angles P-C4'-P energy: -51.677 tors. eta vs tors. theta energy: -94.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1116.938491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.938491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.938491 (E_RNA) where: Base-Base interactions energy: -798.390 where: short stacking energy: -327.883 Base-Backbone interact. energy: -2.563 local terms energy: -315.985371 where: bonds (distance) C4'-P energy: -60.047 bonds (distance) P-C4' energy: -51.166 flat angles C4'-P-C4' energy: -70.916 flat angles P-C4'-P energy: -49.867 tors. eta vs tors. theta energy: -83.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1038.003299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.003299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.003299 (E_RNA) where: Base-Base interactions energy: -743.088 where: short stacking energy: -313.750 Base-Backbone interact. energy: -1.343 local terms energy: -293.572451 where: bonds (distance) C4'-P energy: -52.603 bonds (distance) P-C4' energy: -56.854 flat angles C4'-P-C4' energy: -69.386 flat angles P-C4'-P energy: -38.049 tors. eta vs tors. theta energy: -76.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -955.185668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.185668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.185668 (E_RNA) where: Base-Base interactions energy: -641.652 where: short stacking energy: -269.551 Base-Backbone interact. energy: -1.318 local terms energy: -312.216363 where: bonds (distance) C4'-P energy: -59.556 bonds (distance) P-C4' energy: -65.868 flat angles C4'-P-C4' energy: -67.925 flat angles P-C4'-P energy: -47.815 tors. eta vs tors. theta energy: -71.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -975.613496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.613496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.613496 (E_RNA) where: Base-Base interactions energy: -673.138 where: short stacking energy: -283.100 Base-Backbone interact. energy: -0.638 local terms energy: -301.837846 where: bonds (distance) C4'-P energy: -55.915 bonds (distance) P-C4' energy: -61.455 flat angles C4'-P-C4' energy: -66.380 flat angles P-C4'-P energy: -44.599 tors. eta vs tors. theta energy: -73.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -749.973075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.973075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.973075 (E_RNA) where: Base-Base interactions energy: -507.406 where: short stacking energy: -203.229 Base-Backbone interact. energy: -1.813 local terms energy: -240.754494 where: bonds (distance) C4'-P energy: -51.089 bonds (distance) P-C4' energy: -66.800 flat angles C4'-P-C4' energy: -56.718 flat angles P-C4'-P energy: -25.091 tors. eta vs tors. theta energy: -41.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -776.885695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.885695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.885695 (E_RNA) where: Base-Base interactions energy: -527.463 where: short stacking energy: -227.109 Base-Backbone interact. energy: 1.174 local terms energy: -250.597211 where: bonds (distance) C4'-P energy: -45.484 bonds (distance) P-C4' energy: -55.996 flat angles C4'-P-C4' energy: -54.851 flat angles P-C4'-P energy: -39.726 tors. eta vs tors. theta energy: -54.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -724.350094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.350094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.350094 (E_RNA) where: Base-Base interactions energy: -491.663 where: short stacking energy: -212.219 Base-Backbone interact. energy: 1.392 local terms energy: -234.079618 where: bonds (distance) C4'-P energy: -46.798 bonds (distance) P-C4' energy: -50.257 flat angles C4'-P-C4' energy: -51.229 flat angles P-C4'-P energy: -33.151 tors. eta vs tors. theta energy: -52.644 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: 339 Temperature: 1.350000 Total energy: -558.942653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.942653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.942653 (E_RNA) where: Base-Base interactions energy: -364.677 where: short stacking energy: -154.109 Base-Backbone interact. energy: -0.304 local terms energy: -193.961588 where: bonds (distance) C4'-P energy: -48.802 bonds (distance) P-C4' energy: -59.789 flat angles C4'-P-C4' energy: -50.564 flat angles P-C4'-P energy: -23.350 tors. eta vs tors. theta energy: -11.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1229.628042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.628042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.628042 (E_RNA) where: Base-Base interactions energy: -867.780 where: short stacking energy: -372.313 Base-Backbone interact. energy: -2.824 local terms energy: -359.024489 where: bonds (distance) C4'-P energy: -66.175 bonds (distance) P-C4' energy: -64.755 flat angles C4'-P-C4' energy: -74.862 flat angles P-C4'-P energy: -49.648 tors. eta vs tors. theta energy: -103.585 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: 4 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1152.380011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.380011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.380011 (E_RNA) where: Base-Base interactions energy: -791.969 where: short stacking energy: -351.090 Base-Backbone interact. energy: -1.177 local terms energy: -359.233356 where: bonds (distance) C4'-P energy: -70.914 bonds (distance) P-C4' energy: -60.396 flat angles C4'-P-C4' energy: -74.518 flat angles P-C4'-P energy: -50.559 tors. eta vs tors. theta energy: -102.847 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: 1 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1116.211406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.211406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.211406 (E_RNA) where: Base-Base interactions energy: -811.463 where: short stacking energy: -311.038 Base-Backbone interact. energy: -0.855 local terms energy: -303.893022 where: bonds (distance) C4'-P energy: -61.289 bonds (distance) P-C4' energy: -59.718 flat angles C4'-P-C4' energy: -69.244 flat angles P-C4'-P energy: -47.591 tors. eta vs tors. theta energy: -66.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -972.687896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.687896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.687896 (E_RNA) where: Base-Base interactions energy: -673.084 where: short stacking energy: -296.803 Base-Backbone interact. energy: -1.254 local terms energy: -298.349880 where: bonds (distance) C4'-P energy: -57.344 bonds (distance) P-C4' energy: -59.826 flat angles C4'-P-C4' energy: -64.974 flat angles P-C4'-P energy: -38.746 tors. eta vs tors. theta energy: -77.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1026.980555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.980555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.980555 (E_RNA) where: Base-Base interactions energy: -737.325 where: short stacking energy: -298.057 Base-Backbone interact. energy: 1.745 local terms energy: -291.399747 where: bonds (distance) C4'-P energy: -59.727 bonds (distance) P-C4' energy: -50.080 flat angles C4'-P-C4' energy: -63.153 flat angles P-C4'-P energy: -43.655 tors. eta vs tors. theta energy: -74.784 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: 6 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -912.192932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.192932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.192932 (E_RNA) where: Base-Base interactions energy: -627.820 where: short stacking energy: -262.218 Base-Backbone interact. energy: -3.047 local terms energy: -281.326013 where: bonds (distance) C4'-P energy: -54.241 bonds (distance) P-C4' energy: -59.234 flat angles C4'-P-C4' energy: -62.245 flat angles P-C4'-P energy: -48.049 tors. eta vs tors. theta energy: -57.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -796.509704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.509704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.509704 (E_RNA) where: Base-Base interactions energy: -546.162 where: short stacking energy: -248.303 Base-Backbone interact. energy: -0.701 local terms energy: -249.647006 where: bonds (distance) C4'-P energy: -46.721 bonds (distance) P-C4' energy: -51.795 flat angles C4'-P-C4' energy: -54.915 flat angles P-C4'-P energy: -48.367 tors. eta vs tors. theta energy: -47.849 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: 5 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -741.633171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.633171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.633171 (E_RNA) where: Base-Base interactions energy: -504.570 where: short stacking energy: -241.808 Base-Backbone interact. energy: 0.538 local terms energy: -237.601778 where: bonds (distance) C4'-P energy: -42.791 bonds (distance) P-C4' energy: -58.718 flat angles C4'-P-C4' energy: -49.225 flat angles P-C4'-P energy: -34.612 tors. eta vs tors. theta energy: -52.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -739.509835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.509835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.509835 (E_RNA) where: Base-Base interactions energy: -506.811 where: short stacking energy: -203.929 Base-Backbone interact. energy: 0.503 local terms energy: -233.201375 where: bonds (distance) C4'-P energy: -38.384 bonds (distance) P-C4' energy: -53.974 flat angles C4'-P-C4' energy: -55.398 flat angles P-C4'-P energy: -33.781 tors. eta vs tors. theta energy: -51.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -514.572023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.572023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.572023 (E_RNA) where: Base-Base interactions energy: -337.081 where: short stacking energy: -151.728 Base-Backbone interact. energy: -1.114 local terms energy: -176.376609 where: bonds (distance) C4'-P energy: -57.445 bonds (distance) P-C4' energy: -45.115 flat angles C4'-P-C4' energy: -44.985 flat angles P-C4'-P energy: -23.944 tors. eta vs tors. theta energy: -4.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1215.664186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.664186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.664186 (E_RNA) where: Base-Base interactions energy: -858.470 where: short stacking energy: -363.766 Base-Backbone interact. energy: -1.352 local terms energy: -355.842594 where: bonds (distance) C4'-P energy: -63.656 bonds (distance) P-C4' energy: -66.381 flat angles C4'-P-C4' energy: -77.092 flat angles P-C4'-P energy: -49.015 tors. eta vs tors. theta energy: -99.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1156.307536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.307536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.307536 (E_RNA) where: Base-Base interactions energy: -807.396 where: short stacking energy: -347.776 Base-Backbone interact. energy: -0.221 local terms energy: -348.690542 where: bonds (distance) C4'-P energy: -52.725 bonds (distance) P-C4' energy: -68.850 flat angles C4'-P-C4' energy: -72.486 flat angles P-C4'-P energy: -49.328 tors. eta vs tors. theta energy: -105.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1093.651985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.651985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.651985 (E_RNA) where: Base-Base interactions energy: -785.465 where: short stacking energy: -297.423 Base-Backbone interact. energy: -2.841 local terms energy: -305.345636 where: bonds (distance) C4'-P energy: -57.992 bonds (distance) P-C4' energy: -57.709 flat angles C4'-P-C4' energy: -69.489 flat angles P-C4'-P energy: -51.160 tors. eta vs tors. theta energy: -68.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1048.410663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.410663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.410663 (E_RNA) where: Base-Base interactions energy: -745.150 where: short stacking energy: -316.168 Base-Backbone interact. energy: -1.698 local terms energy: -301.562638 where: bonds (distance) C4'-P energy: -54.854 bonds (distance) P-C4' energy: -67.405 flat angles C4'-P-C4' energy: -55.020 flat angles P-C4'-P energy: -47.177 tors. eta vs tors. theta energy: -77.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -974.032305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.032305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.032305 (E_RNA) where: Base-Base interactions energy: -677.552 where: short stacking energy: -260.565 Base-Backbone interact. energy: -0.260 local terms energy: -296.219713 where: bonds (distance) C4'-P energy: -61.456 bonds (distance) P-C4' energy: -58.919 flat angles C4'-P-C4' energy: -59.270 flat angles P-C4'-P energy: -44.077 tors. eta vs tors. theta energy: -72.498 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: 6 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -918.729340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.729340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.729340 (E_RNA) where: Base-Base interactions energy: -646.106 where: short stacking energy: -256.814 Base-Backbone interact. energy: -5.455 local terms energy: -267.168157 where: bonds (distance) C4'-P energy: -51.900 bonds (distance) P-C4' energy: -67.519 flat angles C4'-P-C4' energy: -49.738 flat angles P-C4'-P energy: -33.125 tors. eta vs tors. theta energy: -64.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -800.840628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.840628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.840628 (E_RNA) where: Base-Base interactions energy: -552.996 where: short stacking energy: -251.576 Base-Backbone interact. energy: -0.331 local terms energy: -247.513310 where: bonds (distance) C4'-P energy: -49.762 bonds (distance) P-C4' energy: -49.585 flat angles C4'-P-C4' energy: -62.934 flat angles P-C4'-P energy: -29.122 tors. eta vs tors. theta energy: -56.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -745.825928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.825928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.825928 (E_RNA) where: Base-Base interactions energy: -520.244 where: short stacking energy: -232.755 Base-Backbone interact. energy: -0.113 local terms energy: -225.468609 where: bonds (distance) C4'-P energy: -42.021 bonds (distance) P-C4' energy: -54.147 flat angles C4'-P-C4' energy: -59.816 flat angles P-C4'-P energy: -33.551 tors. eta vs tors. theta energy: -35.934 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: 5 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -740.067596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.067596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.067596 (E_RNA) where: Base-Base interactions energy: -497.216 where: short stacking energy: -225.341 Base-Backbone interact. energy: -1.029 local terms energy: -241.821932 where: bonds (distance) C4'-P energy: -44.276 bonds (distance) P-C4' energy: -47.443 flat angles C4'-P-C4' energy: -58.272 flat angles P-C4'-P energy: -43.718 tors. eta vs tors. theta energy: -48.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -573.058068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.058068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.058068 (E_RNA) where: Base-Base interactions energy: -375.675 where: short stacking energy: -187.116 Base-Backbone interact. energy: -1.415 local terms energy: -195.968360 where: bonds (distance) C4'-P energy: -36.484 bonds (distance) P-C4' energy: -42.128 flat angles C4'-P-C4' energy: -54.555 flat angles P-C4'-P energy: -28.566 tors. eta vs tors. theta energy: -34.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1205.306580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.306580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.306580 (E_RNA) where: Base-Base interactions energy: -841.942 where: short stacking energy: -341.466 Base-Backbone interact. energy: -1.895 local terms energy: -361.468773 where: bonds (distance) C4'-P energy: -68.664 bonds (distance) P-C4' energy: -62.726 flat angles C4'-P-C4' energy: -78.004 flat angles P-C4'-P energy: -58.000 tors. eta vs tors. theta energy: -94.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1162.986528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.986528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.986528 (E_RNA) where: Base-Base interactions energy: -793.069 where: short stacking energy: -330.979 Base-Backbone interact. energy: -0.544 local terms energy: -369.373561 where: bonds (distance) C4'-P energy: -63.601 bonds (distance) P-C4' energy: -72.549 flat angles C4'-P-C4' energy: -75.818 flat angles P-C4'-P energy: -47.941 tors. eta vs tors. theta energy: -109.465 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: 1 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1104.962091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.962091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.962091 (E_RNA) where: Base-Base interactions energy: -784.281 where: short stacking energy: -306.188 Base-Backbone interact. energy: -2.935 local terms energy: -317.746343 where: bonds (distance) C4'-P energy: -63.002 bonds (distance) P-C4' energy: -63.831 flat angles C4'-P-C4' energy: -65.941 flat angles P-C4'-P energy: -46.083 tors. eta vs tors. theta energy: -78.890 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: 9 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1046.537197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.537197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.537197 (E_RNA) where: Base-Base interactions energy: -745.505 where: short stacking energy: -308.178 Base-Backbone interact. energy: 0.267 local terms energy: -301.300007 where: bonds (distance) C4'-P energy: -59.904 bonds (distance) P-C4' energy: -58.341 flat angles C4'-P-C4' energy: -64.086 flat angles P-C4'-P energy: -39.872 tors. eta vs tors. theta energy: -79.098 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: 8 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -986.392896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.392896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.392896 (E_RNA) where: Base-Base interactions energy: -687.444 where: short stacking energy: -289.060 Base-Backbone interact. energy: -1.190 local terms energy: -297.758639 where: bonds (distance) C4'-P energy: -59.330 bonds (distance) P-C4' energy: -61.669 flat angles C4'-P-C4' energy: -63.519 flat angles P-C4'-P energy: -37.080 tors. eta vs tors. theta energy: -76.161 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: 6 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -931.237774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.237774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.237774 (E_RNA) where: Base-Base interactions energy: -648.480 where: short stacking energy: -270.443 Base-Backbone interact. energy: -0.426 local terms energy: -282.332125 where: bonds (distance) C4'-P energy: -47.664 bonds (distance) P-C4' energy: -58.309 flat angles C4'-P-C4' energy: -60.333 flat angles P-C4'-P energy: -44.796 tors. eta vs tors. theta energy: -71.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -803.325616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.325616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.325616 (E_RNA) where: Base-Base interactions energy: -561.210 where: short stacking energy: -249.712 Base-Backbone interact. energy: -1.059 local terms energy: -241.057174 where: bonds (distance) C4'-P energy: -55.284 bonds (distance) P-C4' energy: -39.246 flat angles C4'-P-C4' energy: -56.966 flat angles P-C4'-P energy: -42.501 tors. eta vs tors. theta energy: -47.061 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: 8, replica: 7 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -760.131947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.131947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.131947 (E_RNA) where: Base-Base interactions energy: -529.314 where: short stacking energy: -234.567 Base-Backbone interact. energy: 3.288 local terms energy: -234.106599 where: bonds (distance) C4'-P energy: -53.970 bonds (distance) P-C4' energy: -49.431 flat angles C4'-P-C4' energy: -51.877 flat angles P-C4'-P energy: -32.044 tors. eta vs tors. theta energy: -46.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -772.515251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.515251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.515251 (E_RNA) where: Base-Base interactions energy: -521.255 where: short stacking energy: -239.432 Base-Backbone interact. energy: -1.704 local terms energy: -249.556623 where: bonds (distance) C4'-P energy: -52.831 bonds (distance) P-C4' energy: -59.674 flat angles C4'-P-C4' energy: -64.503 flat angles P-C4'-P energy: -16.898 tors. eta vs tors. theta energy: -55.651 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: 342 Temperature: 1.350000 Total energy: -529.340990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.340990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.340990 (E_RNA) where: Base-Base interactions energy: -317.146 where: short stacking energy: -152.533 Base-Backbone interact. energy: -1.187 local terms energy: -211.008317 where: bonds (distance) C4'-P energy: -52.399 bonds (distance) P-C4' energy: -50.244 flat angles C4'-P-C4' energy: -41.491 flat angles P-C4'-P energy: -40.036 tors. eta vs tors. theta energy: -26.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1211.806210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.806210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.806210 (E_RNA) where: Base-Base interactions energy: -857.545 where: short stacking energy: -354.184 Base-Backbone interact. energy: -2.364 local terms energy: -351.897150 where: bonds (distance) C4'-P energy: -63.814 bonds (distance) P-C4' energy: -61.851 flat angles C4'-P-C4' energy: -73.259 flat angles P-C4'-P energy: -52.964 tors. eta vs tors. theta energy: -100.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1140.967759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.967759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.967759 (E_RNA) where: Base-Base interactions energy: -797.191 where: short stacking energy: -351.443 Base-Backbone interact. energy: -2.001 local terms energy: -341.775632 where: bonds (distance) C4'-P energy: -56.065 bonds (distance) P-C4' energy: -68.034 flat angles C4'-P-C4' energy: -67.791 flat angles P-C4'-P energy: -50.500 tors. eta vs tors. theta energy: -99.385 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: 1 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1108.950799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.950799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.950799 (E_RNA) where: Base-Base interactions energy: -788.305 where: short stacking energy: -299.455 Base-Backbone interact. energy: 0.538 local terms energy: -321.183681 where: bonds (distance) C4'-P energy: -61.667 bonds (distance) P-C4' energy: -65.070 flat angles C4'-P-C4' energy: -66.404 flat angles P-C4'-P energy: -49.384 tors. eta vs tors. theta energy: -78.658 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: 9 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1021.582639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.582639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.582639 (E_RNA) where: Base-Base interactions energy: -725.558 where: short stacking energy: -305.729 Base-Backbone interact. energy: 2.715 local terms energy: -298.739577 where: bonds (distance) C4'-P energy: -57.890 bonds (distance) P-C4' energy: -57.248 flat angles C4'-P-C4' energy: -63.460 flat angles P-C4'-P energy: -41.219 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: 5, replica: 8 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -966.636690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.636690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.636690 (E_RNA) where: Base-Base interactions energy: -661.254 where: short stacking energy: -284.517 Base-Backbone interact. energy: -0.325 local terms energy: -305.057523 where: bonds (distance) C4'-P energy: -56.451 bonds (distance) P-C4' energy: -54.812 flat angles C4'-P-C4' energy: -66.220 flat angles P-C4'-P energy: -51.651 tors. eta vs tors. theta energy: -75.923 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: 6 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -935.717389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.717389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.717389 (E_RNA) where: Base-Base interactions energy: -656.546 where: short stacking energy: -268.247 Base-Backbone interact. energy: -2.308 local terms energy: -276.863019 where: bonds (distance) C4'-P energy: -44.826 bonds (distance) P-C4' energy: -51.852 flat angles C4'-P-C4' energy: -69.565 flat angles P-C4'-P energy: -39.526 tors. eta vs tors. theta energy: -71.093 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: 2 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -772.475536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.475536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.475536 (E_RNA) where: Base-Base interactions energy: -519.923 where: short stacking energy: -229.214 Base-Backbone interact. energy: 3.918 local terms energy: -256.470705 where: bonds (distance) C4'-P energy: -56.847 bonds (distance) P-C4' energy: -54.257 flat angles C4'-P-C4' energy: -60.815 flat angles P-C4'-P energy: -46.071 tors. eta vs tors. theta energy: -38.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -782.886780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.886780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.886780 (E_RNA) where: Base-Base interactions energy: -513.085 where: short stacking energy: -233.919 Base-Backbone interact. energy: -1.513 local terms energy: -268.288458 where: bonds (distance) C4'-P energy: -50.473 bonds (distance) P-C4' energy: -62.702 flat angles C4'-P-C4' energy: -60.225 flat angles P-C4'-P energy: -41.261 tors. eta vs tors. theta energy: -53.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -705.659143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.659143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.659143 (E_RNA) where: Base-Base interactions energy: -468.545 where: short stacking energy: -210.018 Base-Backbone interact. energy: -0.756 local terms energy: -236.358621 where: bonds (distance) C4'-P energy: -37.923 bonds (distance) P-C4' energy: -48.718 flat angles C4'-P-C4' energy: -59.996 flat angles P-C4'-P energy: -46.543 tors. eta vs tors. theta energy: -43.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -509.500662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.500662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.500662 (E_RNA) where: Base-Base interactions energy: -309.000 where: short stacking energy: -149.813 Base-Backbone interact. energy: -0.124 local terms energy: -200.376284 where: bonds (distance) C4'-P energy: -57.990 bonds (distance) P-C4' energy: -47.985 flat angles C4'-P-C4' energy: -45.434 flat angles P-C4'-P energy: -22.698 tors. eta vs tors. theta energy: -26.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1211.028922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.028922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.028922 (E_RNA) where: Base-Base interactions energy: -865.776 where: short stacking energy: -364.888 Base-Backbone interact. energy: -2.237 local terms energy: -343.016118 where: bonds (distance) C4'-P energy: -56.458 bonds (distance) P-C4' energy: -63.012 flat angles C4'-P-C4' energy: -80.024 flat angles P-C4'-P energy: -50.418 tors. eta vs tors. theta energy: -93.105 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: 4 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1180.499786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.499786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.499786 (E_RNA) where: Base-Base interactions energy: -825.658 where: short stacking energy: -362.656 Base-Backbone interact. energy: -0.351 local terms energy: -354.490448 where: bonds (distance) C4'-P energy: -62.079 bonds (distance) P-C4' energy: -57.733 flat angles C4'-P-C4' energy: -73.115 flat angles P-C4'-P energy: -53.333 tors. eta vs tors. theta energy: -108.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1109.534602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.534602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.534602 (E_RNA) where: Base-Base interactions energy: -795.748 where: short stacking energy: -312.461 Base-Backbone interact. energy: -0.893 local terms energy: -312.893654 where: bonds (distance) C4'-P energy: -59.850 bonds (distance) P-C4' energy: -59.122 flat angles C4'-P-C4' energy: -66.700 flat angles P-C4'-P energy: -46.253 tors. eta vs tors. theta energy: -80.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1009.473562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.473562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.473562 (E_RNA) where: Base-Base interactions energy: -690.704 where: short stacking energy: -312.697 Base-Backbone interact. energy: -1.381 local terms energy: -317.389109 where: bonds (distance) C4'-P energy: -57.635 bonds (distance) P-C4' energy: -61.000 flat angles C4'-P-C4' energy: -69.267 flat angles P-C4'-P energy: -50.131 tors. eta vs tors. theta energy: -79.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -971.634726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.634726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.634726 (E_RNA) where: Base-Base interactions energy: -677.229 where: short stacking energy: -278.352 Base-Backbone interact. energy: -3.466 local terms energy: -290.939552 where: bonds (distance) C4'-P energy: -50.784 bonds (distance) P-C4' energy: -64.423 flat angles C4'-P-C4' energy: -68.951 flat angles P-C4'-P energy: -40.319 tors. eta vs tors. theta energy: -66.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -925.830731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.830731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.830731 (E_RNA) where: Base-Base interactions energy: -649.542 where: short stacking energy: -268.958 Base-Backbone interact. energy: 0.619 local terms energy: -276.907360 where: bonds (distance) C4'-P energy: -47.474 bonds (distance) P-C4' energy: -55.022 flat angles C4'-P-C4' energy: -70.544 flat angles P-C4'-P energy: -39.298 tors. eta vs tors. theta energy: -64.569 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: 344 Temperature: 1.200000 Total energy: -829.070741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.070741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.070741 (E_RNA) where: Base-Base interactions energy: -550.513 where: short stacking energy: -262.448 Base-Backbone interact. energy: -1.288 local terms energy: -277.269629 where: bonds (distance) C4'-P energy: -44.182 bonds (distance) P-C4' energy: -59.570 flat angles C4'-P-C4' energy: -65.332 flat angles P-C4'-P energy: -48.284 tors. eta vs tors. theta energy: -59.902 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: 2 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -772.591609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.591609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.591609 (E_RNA) where: Base-Base interactions energy: -519.252 where: short stacking energy: -217.332 Base-Backbone interact. energy: -0.291 local terms energy: -253.049147 where: bonds (distance) C4'-P energy: -58.543 bonds (distance) P-C4' energy: -56.014 flat angles C4'-P-C4' energy: -57.050 flat angles P-C4'-P energy: -34.510 tors. eta vs tors. theta energy: -46.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -726.118679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.118679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.118679 (E_RNA) where: Base-Base interactions energy: -480.133 where: short stacking energy: -223.589 Base-Backbone interact. energy: -2.289 local terms energy: -243.696839 where: bonds (distance) C4'-P energy: -62.238 bonds (distance) P-C4' energy: -49.328 flat angles C4'-P-C4' energy: -53.633 flat angles P-C4'-P energy: -25.982 tors. eta vs tors. theta energy: -52.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -494.869842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.869842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.869842 (E_RNA) where: Base-Base interactions energy: -286.268 where: short stacking energy: -154.872 Base-Backbone interact. energy: 1.761 local terms energy: -210.362943 where: bonds (distance) C4'-P energy: -48.378 bonds (distance) P-C4' energy: -54.614 flat angles C4'-P-C4' energy: -54.114 flat angles P-C4'-P energy: -36.469 tors. eta vs tors. theta energy: -16.788 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: 10 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1218.420016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.420016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.420016 (E_RNA) where: Base-Base interactions energy: -862.819 where: short stacking energy: -347.557 Base-Backbone interact. energy: -3.577 local terms energy: -352.024036 where: bonds (distance) C4'-P energy: -67.028 bonds (distance) P-C4' energy: -65.509 flat angles C4'-P-C4' energy: -71.987 flat angles P-C4'-P energy: -56.991 tors. eta vs tors. theta energy: -90.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1151.390490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.390490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.390490 (E_RNA) where: Base-Base interactions energy: -790.237 where: short stacking energy: -367.759 Base-Backbone interact. energy: -0.828 local terms energy: -360.325358 where: bonds (distance) C4'-P energy: -65.805 bonds (distance) P-C4' energy: -70.985 flat angles C4'-P-C4' energy: -71.428 flat angles P-C4'-P energy: -50.056 tors. eta vs tors. theta energy: -102.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1108.113295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.113295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.113295 (E_RNA) where: Base-Base interactions energy: -785.488 where: short stacking energy: -294.890 Base-Backbone interact. energy: 2.599 local terms energy: -325.224625 where: bonds (distance) C4'-P energy: -62.176 bonds (distance) P-C4' energy: -62.558 flat angles C4'-P-C4' energy: -70.934 flat angles P-C4'-P energy: -48.203 tors. eta vs tors. theta energy: -81.354 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: 345 Temperature: 1.050000 Total energy: -1007.696425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.696425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.696425 (E_RNA) where: Base-Base interactions energy: -682.166 where: short stacking energy: -292.866 Base-Backbone interact. energy: -2.166 local terms energy: -323.364671 where: bonds (distance) C4'-P energy: -58.077 bonds (distance) P-C4' energy: -63.514 flat angles C4'-P-C4' energy: -69.503 flat angles P-C4'-P energy: -51.966 tors. eta vs tors. theta energy: -80.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -994.378466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.378466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.378466 (E_RNA) where: Base-Base interactions energy: -693.783 where: short stacking energy: -312.288 Base-Backbone interact. energy: -1.151 local terms energy: -299.444188 where: bonds (distance) C4'-P energy: -42.306 bonds (distance) P-C4' energy: -64.465 flat angles C4'-P-C4' energy: -64.247 flat angles P-C4'-P energy: -43.931 tors. eta vs tors. theta energy: -84.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -939.942294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.942294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.942294 (E_RNA) where: Base-Base interactions energy: -659.132 where: short stacking energy: -257.894 Base-Backbone interact. energy: 1.760 local terms energy: -282.570877 where: bonds (distance) C4'-P energy: -50.328 bonds (distance) P-C4' energy: -60.607 flat angles C4'-P-C4' energy: -73.928 flat angles P-C4'-P energy: -33.580 tors. eta vs tors. theta energy: -64.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -818.518951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.518951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.518951 (E_RNA) where: Base-Base interactions energy: -550.210 where: short stacking energy: -227.578 Base-Backbone interact. energy: -1.146 local terms energy: -267.163692 where: bonds (distance) C4'-P energy: -54.886 bonds (distance) P-C4' energy: -53.666 flat angles C4'-P-C4' energy: -68.760 flat angles P-C4'-P energy: -38.376 tors. eta vs tors. theta energy: -51.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -771.519988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.519988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.519988 (E_RNA) where: Base-Base interactions energy: -510.330 where: short stacking energy: -214.194 Base-Backbone interact. energy: -2.011 local terms energy: -259.179172 where: bonds (distance) C4'-P energy: -49.982 bonds (distance) P-C4' energy: -58.290 flat angles C4'-P-C4' energy: -61.011 flat angles P-C4'-P energy: -43.920 tors. eta vs tors. theta energy: -45.976 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: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -720.185222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.185222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.185222 (E_RNA) where: Base-Base interactions energy: -467.631 where: short stacking energy: -216.380 Base-Backbone interact. energy: -0.366 local terms energy: -252.188280 where: bonds (distance) C4'-P energy: -47.965 bonds (distance) P-C4' energy: -66.817 flat angles C4'-P-C4' energy: -49.168 flat angles P-C4'-P energy: -34.194 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: 3 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -535.092121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.092121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.092121 (E_RNA) where: Base-Base interactions energy: -334.170 where: short stacking energy: -148.021 Base-Backbone interact. energy: 1.076 local terms energy: -201.998771 where: bonds (distance) C4'-P energy: -49.300 bonds (distance) P-C4' energy: -50.473 flat angles C4'-P-C4' energy: -53.470 flat angles P-C4'-P energy: -20.975 tors. eta vs tors. theta energy: -27.782 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: 10 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1227.747609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.747609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.747609 (E_RNA) where: Base-Base interactions energy: -868.862 where: short stacking energy: -359.096 Base-Backbone interact. energy: -3.345 local terms energy: -355.540432 where: bonds (distance) C4'-P energy: -60.081 bonds (distance) P-C4' energy: -65.669 flat angles C4'-P-C4' energy: -76.131 flat angles P-C4'-P energy: -58.267 tors. eta vs tors. theta energy: -95.392 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: 2, replica: 4 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1133.405961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.405961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.405961 (E_RNA) where: Base-Base interactions energy: -785.400 where: short stacking energy: -352.995 Base-Backbone interact. energy: 0.238 local terms energy: -348.243518 where: bonds (distance) C4'-P energy: -65.392 bonds (distance) P-C4' energy: -56.777 flat angles C4'-P-C4' energy: -73.577 flat angles P-C4'-P energy: -47.634 tors. eta vs tors. theta energy: -104.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1120.077510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.077510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.077510 (E_RNA) where: Base-Base interactions energy: -797.472 where: short stacking energy: -319.424 Base-Backbone interact. energy: -1.826 local terms energy: -320.780068 where: bonds (distance) C4'-P energy: -57.055 bonds (distance) P-C4' energy: -57.137 flat angles C4'-P-C4' energy: -73.461 flat angles P-C4'-P energy: -48.144 tors. eta vs tors. theta energy: -84.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -981.714605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.714605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.714605 (E_RNA) where: Base-Base interactions energy: -683.457 where: short stacking energy: -288.238 Base-Backbone interact. energy: -2.589 local terms energy: -295.668704 where: bonds (distance) C4'-P energy: -59.349 bonds (distance) P-C4' energy: -52.156 flat angles C4'-P-C4' energy: -63.997 flat angles P-C4'-P energy: -48.443 tors. eta vs tors. theta energy: -71.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1015.774368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.774368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.774368 (E_RNA) where: Base-Base interactions energy: -724.716 where: short stacking energy: -316.906 Base-Backbone interact. energy: -1.411 local terms energy: -289.646621 where: bonds (distance) C4'-P energy: -46.902 bonds (distance) P-C4' energy: -57.706 flat angles C4'-P-C4' energy: -74.412 flat angles P-C4'-P energy: -34.338 tors. eta vs tors. theta energy: -76.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -943.482508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.482508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.482508 (E_RNA) where: Base-Base interactions energy: -666.259 where: short stacking energy: -287.762 Base-Backbone interact. energy: -1.867 local terms energy: -275.356145 where: bonds (distance) C4'-P energy: -54.277 bonds (distance) P-C4' energy: -54.373 flat angles C4'-P-C4' energy: -62.838 flat angles P-C4'-P energy: -38.749 tors. eta vs tors. theta energy: -65.119 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: 5 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -804.643061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.643061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.643061 (E_RNA) where: Base-Base interactions energy: -522.977 where: short stacking energy: -239.475 Base-Backbone interact. energy: -0.616 local terms energy: -281.049974 where: bonds (distance) C4'-P energy: -50.664 bonds (distance) P-C4' energy: -64.231 flat angles C4'-P-C4' energy: -65.022 flat angles P-C4'-P energy: -38.650 tors. eta vs tors. theta energy: -62.484 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: 8, replica: 2 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -788.236735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.236735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.236735 (E_RNA) where: Base-Base interactions energy: -548.630 where: short stacking energy: -244.656 Base-Backbone interact. energy: 4.920 local terms energy: -244.526309 where: bonds (distance) C4'-P energy: -39.054 bonds (distance) P-C4' energy: -66.506 flat angles C4'-P-C4' energy: -51.861 flat angles P-C4'-P energy: -30.994 tors. eta vs tors. theta energy: -56.112 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: 9, replica: 7 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -693.351921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.351921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.351921 (E_RNA) where: Base-Base interactions energy: -442.504 where: short stacking energy: -193.578 Base-Backbone interact. energy: -1.609 local terms energy: -249.239130 where: bonds (distance) C4'-P energy: -57.535 bonds (distance) P-C4' energy: -56.241 flat angles C4'-P-C4' energy: -58.724 flat angles P-C4'-P energy: -36.447 tors. eta vs tors. theta energy: -40.291 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: 10, replica: 3 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -526.557700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.557700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.557700 (E_RNA) where: Base-Base interactions energy: -339.675 where: short stacking energy: -146.748 Base-Backbone interact. energy: -0.630 local terms energy: -186.252730 where: bonds (distance) C4'-P energy: -49.581 bonds (distance) P-C4' energy: -49.294 flat angles C4'-P-C4' energy: -44.697 flat angles P-C4'-P energy: -33.637 tors. eta vs tors. theta energy: -9.043 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: 10 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1209.334809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.334809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.334809 (E_RNA) where: Base-Base interactions energy: -852.049 where: short stacking energy: -359.412 Base-Backbone interact. energy: -1.980 local terms energy: -355.306133 where: bonds (distance) C4'-P energy: -62.717 bonds (distance) P-C4' energy: -62.944 flat angles C4'-P-C4' energy: -74.864 flat angles P-C4'-P energy: -58.117 tors. eta vs tors. theta energy: -96.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1139.956628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.956628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.956628 (E_RNA) where: Base-Base interactions energy: -791.070 where: short stacking energy: -336.391 Base-Backbone interact. energy: -2.902 local terms energy: -345.983894 where: bonds (distance) C4'-P energy: -62.491 bonds (distance) P-C4' energy: -64.709 flat angles C4'-P-C4' energy: -73.102 flat angles P-C4'-P energy: -49.587 tors. eta vs tors. theta energy: -96.095 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: 347 Temperature: 1.000000 Total energy: -1119.677241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.677241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.677241 (E_RNA) where: Base-Base interactions energy: -791.068 where: short stacking energy: -341.002 Base-Backbone interact. energy: 1.512 local terms energy: -330.121311 where: bonds (distance) C4'-P energy: -53.101 bonds (distance) P-C4' energy: -63.479 flat angles C4'-P-C4' energy: -69.872 flat angles P-C4'-P energy: -42.404 tors. eta vs tors. theta energy: -101.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1046.719777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.719777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.719777 (E_RNA) where: Base-Base interactions energy: -726.961 where: short stacking energy: -319.251 Base-Backbone interact. energy: 2.046 local terms energy: -321.805172 where: bonds (distance) C4'-P energy: -64.187 bonds (distance) P-C4' energy: -61.835 flat angles C4'-P-C4' energy: -65.635 flat angles P-C4'-P energy: -46.835 tors. eta vs tors. theta energy: -83.313 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: 347 Temperature: 1.100000 Total energy: -985.569417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.569417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.569417 (E_RNA) where: Base-Base interactions energy: -711.095 where: short stacking energy: -296.437 Base-Backbone interact. energy: -0.566 local terms energy: -273.907933 where: bonds (distance) C4'-P energy: -46.578 bonds (distance) P-C4' energy: -50.459 flat angles C4'-P-C4' energy: -59.980 flat angles P-C4'-P energy: -42.239 tors. eta vs tors. theta energy: -74.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -958.495602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.495602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.495602 (E_RNA) where: Base-Base interactions energy: -668.177 where: short stacking energy: -300.600 Base-Backbone interact. energy: 0.578 local terms energy: -290.896810 where: bonds (distance) C4'-P energy: -56.552 bonds (distance) P-C4' energy: -53.369 flat angles C4'-P-C4' energy: -57.737 flat angles P-C4'-P energy: -43.998 tors. eta vs tors. theta energy: -79.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -811.598771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.598771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.598771 (E_RNA) where: Base-Base interactions energy: -552.818 where: short stacking energy: -283.158 Base-Backbone interact. energy: 1.066 local terms energy: -259.845910 where: bonds (distance) C4'-P energy: -41.232 bonds (distance) P-C4' energy: -52.333 flat angles C4'-P-C4' energy: -63.712 flat angles P-C4'-P energy: -34.240 tors. eta vs tors. theta energy: -68.329 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: 7 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -750.944678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.944678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.944678 (E_RNA) where: Base-Base interactions energy: -501.172 where: short stacking energy: -217.544 Base-Backbone interact. energy: -1.263 local terms energy: -248.509421 where: bonds (distance) C4'-P energy: -44.011 bonds (distance) P-C4' energy: -54.293 flat angles C4'-P-C4' energy: -59.445 flat angles P-C4'-P energy: -40.956 tors. eta vs tors. theta energy: -49.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -805.996541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.996541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.996541 (E_RNA) where: Base-Base interactions energy: -562.824 where: short stacking energy: -232.328 Base-Backbone interact. energy: -0.529 local terms energy: -242.643348 where: bonds (distance) C4'-P energy: -34.073 bonds (distance) P-C4' energy: -52.376 flat angles C4'-P-C4' energy: -52.541 flat angles P-C4'-P energy: -38.422 tors. eta vs tors. theta energy: -65.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -536.497727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.497727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.497727 (E_RNA) where: Base-Base interactions energy: -322.645 where: short stacking energy: -151.936 Base-Backbone interact. energy: -0.470 local terms energy: -213.382946 where: bonds (distance) C4'-P energy: -56.845 bonds (distance) P-C4' energy: -52.964 flat angles C4'-P-C4' energy: -58.161 flat angles P-C4'-P energy: -25.486 tors. eta vs tors. theta energy: -19.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1200.388792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.388792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.388792 (E_RNA) where: Base-Base interactions energy: -860.853 where: short stacking energy: -362.211 Base-Backbone interact. energy: -2.625 local terms energy: -336.911058 where: bonds (distance) C4'-P energy: -57.955 bonds (distance) P-C4' energy: -63.724 flat angles C4'-P-C4' energy: -74.709 flat angles P-C4'-P energy: -41.469 tors. eta vs tors. theta energy: -99.054 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: 2, replica: 1 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1159.756269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.756269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.756269 (E_RNA) where: Base-Base interactions energy: -815.031 where: short stacking energy: -326.751 Base-Backbone interact. energy: -3.183 local terms energy: -341.542198 where: bonds (distance) C4'-P energy: -66.058 bonds (distance) P-C4' energy: -60.332 flat angles C4'-P-C4' energy: -69.395 flat angles P-C4'-P energy: -52.578 tors. eta vs tors. theta energy: -93.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1133.305261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.305261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.305261 (E_RNA) where: Base-Base interactions energy: -783.945 where: short stacking energy: -343.438 Base-Backbone interact. energy: 0.491 local terms energy: -349.851609 where: bonds (distance) C4'-P energy: -61.968 bonds (distance) P-C4' energy: -62.900 flat angles C4'-P-C4' energy: -70.217 flat angles P-C4'-P energy: -48.492 tors. eta vs tors. theta energy: -106.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1056.150100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.150100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.150100 (E_RNA) where: Base-Base interactions energy: -729.101 where: short stacking energy: -326.429 Base-Backbone interact. energy: 0.332 local terms energy: -327.380409 where: bonds (distance) C4'-P energy: -49.947 bonds (distance) P-C4' energy: -68.011 flat angles C4'-P-C4' energy: -73.268 flat angles P-C4'-P energy: -45.484 tors. eta vs tors. theta energy: -90.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -972.919172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.919172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.919172 (E_RNA) where: Base-Base interactions energy: -679.387 where: short stacking energy: -291.172 Base-Backbone interact. energy: 1.358 local terms energy: -294.889444 where: bonds (distance) C4'-P energy: -51.620 bonds (distance) P-C4' energy: -62.644 flat angles C4'-P-C4' energy: -59.343 flat angles P-C4'-P energy: -48.898 tors. eta vs tors. theta energy: -72.384 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: 8 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -963.667376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.667376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.667376 (E_RNA) where: Base-Base interactions energy: -677.324 where: short stacking energy: -291.411 Base-Backbone interact. energy: -0.830 local terms energy: -285.513555 where: bonds (distance) C4'-P energy: -56.664 bonds (distance) P-C4' energy: -61.779 flat angles C4'-P-C4' energy: -60.041 flat angles P-C4'-P energy: -36.325 tors. eta vs tors. theta energy: -70.704 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: 5 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -805.626672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.626672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.626672 (E_RNA) where: Base-Base interactions energy: -519.457 where: short stacking energy: -247.848 Base-Backbone interact. energy: -0.608 local terms energy: -285.561032 where: bonds (distance) C4'-P energy: -62.328 bonds (distance) P-C4' energy: -66.253 flat angles C4'-P-C4' energy: -64.070 flat angles P-C4'-P energy: -33.667 tors. eta vs tors. theta energy: -59.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -701.673049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.673049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.673049 (E_RNA) where: Base-Base interactions energy: -447.995 where: short stacking energy: -206.071 Base-Backbone interact. energy: -1.775 local terms energy: -251.902849 where: bonds (distance) C4'-P energy: -54.349 bonds (distance) P-C4' energy: -54.119 flat angles C4'-P-C4' energy: -58.546 flat angles P-C4'-P energy: -42.171 tors. eta vs tors. theta energy: -42.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -711.479951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.479951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.479951 (E_RNA) where: Base-Base interactions energy: -495.761 where: short stacking energy: -206.667 Base-Backbone interact. energy: -0.184 local terms energy: -215.534799 where: bonds (distance) C4'-P energy: -42.382 bonds (distance) P-C4' energy: -57.809 flat angles C4'-P-C4' energy: -50.290 flat angles P-C4'-P energy: -29.195 tors. eta vs tors. theta energy: -35.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -556.808745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.808745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.808745 (E_RNA) where: Base-Base interactions energy: -340.629 where: short stacking energy: -156.629 Base-Backbone interact. energy: -0.341 local terms energy: -215.837960 where: bonds (distance) C4'-P energy: -51.540 bonds (distance) P-C4' energy: -58.909 flat angles C4'-P-C4' energy: -56.723 flat angles P-C4'-P energy: -28.210 tors. eta vs tors. theta energy: -20.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1200.916085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.916085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.916085 (E_RNA) where: Base-Base interactions energy: -844.846 where: short stacking energy: -349.267 Base-Backbone interact. energy: -1.111 local terms energy: -354.959150 where: bonds (distance) C4'-P energy: -64.724 bonds (distance) P-C4' energy: -68.021 flat angles C4'-P-C4' energy: -78.395 flat angles P-C4'-P energy: -49.810 tors. eta vs tors. theta energy: -94.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1152.302822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.302822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.302822 (E_RNA) where: Base-Base interactions energy: -810.818 where: short stacking energy: -322.814 Base-Backbone interact. energy: -2.774 local terms energy: -338.710316 where: bonds (distance) C4'-P energy: -61.802 bonds (distance) P-C4' energy: -61.959 flat angles C4'-P-C4' energy: -69.694 flat angles P-C4'-P energy: -52.292 tors. eta vs tors. theta energy: -92.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1123.280405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.280405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.280405 (E_RNA) where: Base-Base interactions energy: -780.508 where: short stacking energy: -353.362 Base-Backbone interact. energy: -0.677 local terms energy: -342.095844 where: bonds (distance) C4'-P energy: -65.394 bonds (distance) P-C4' energy: -53.567 flat angles C4'-P-C4' energy: -70.432 flat angles P-C4'-P energy: -50.887 tors. eta vs tors. theta energy: -101.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1026.945240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.945240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.945240 (E_RNA) where: Base-Base interactions energy: -724.367 where: short stacking energy: -311.917 Base-Backbone interact. energy: -1.177 local terms energy: -301.401819 where: bonds (distance) C4'-P energy: -55.228 bonds (distance) P-C4' energy: -55.591 flat angles C4'-P-C4' energy: -69.536 flat angles P-C4'-P energy: -45.944 tors. eta vs tors. theta energy: -75.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -998.152819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.152819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.152819 (E_RNA) where: Base-Base interactions energy: -702.969 where: short stacking energy: -321.007 Base-Backbone interact. energy: 2.114 local terms energy: -297.297709 where: bonds (distance) C4'-P energy: -47.686 bonds (distance) P-C4' energy: -57.753 flat angles C4'-P-C4' energy: -69.879 flat angles P-C4'-P energy: -36.130 tors. eta vs tors. theta energy: -85.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -831.425516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.425516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.425516 (E_RNA) where: Base-Base interactions energy: -559.940 where: short stacking energy: -256.234 Base-Backbone interact. energy: -1.246 local terms energy: -270.240361 where: bonds (distance) C4'-P energy: -63.870 bonds (distance) P-C4' energy: -40.127 flat angles C4'-P-C4' energy: -52.576 flat angles P-C4'-P energy: -50.137 tors. eta vs tors. theta energy: -63.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -960.038354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.038354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.038354 (E_RNA) where: Base-Base interactions energy: -663.696 where: short stacking energy: -305.789 Base-Backbone interact. energy: 0.135 local terms energy: -296.477586 where: bonds (distance) C4'-P energy: -57.970 bonds (distance) P-C4' energy: -64.299 flat angles C4'-P-C4' energy: -63.081 flat angles P-C4'-P energy: -33.146 tors. eta vs tors. theta energy: -77.981 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: 2 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -727.699680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.699680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.699680 (E_RNA) where: Base-Base interactions energy: -479.050 where: short stacking energy: -203.723 Base-Backbone interact. energy: -0.289 local terms energy: -248.361063 where: bonds (distance) C4'-P energy: -51.768 bonds (distance) P-C4' energy: -59.328 flat angles C4'-P-C4' energy: -57.562 flat angles P-C4'-P energy: -26.679 tors. eta vs tors. theta energy: -53.024 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: 7 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -660.941886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.941886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.941886 (E_RNA) where: Base-Base interactions energy: -436.838 where: short stacking energy: -198.470 Base-Backbone interact. energy: 0.349 local terms energy: -224.452674 where: bonds (distance) C4'-P energy: -36.936 bonds (distance) P-C4' energy: -53.862 flat angles C4'-P-C4' energy: -55.826 flat angles P-C4'-P energy: -39.568 tors. eta vs tors. theta energy: -38.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -558.699286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.699286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.699286 (E_RNA) where: Base-Base interactions energy: -361.087 where: short stacking energy: -145.014 Base-Backbone interact. energy: 0.780 local terms energy: -198.391824 where: bonds (distance) C4'-P energy: -54.602 bonds (distance) P-C4' energy: -64.001 flat angles C4'-P-C4' energy: -47.816 flat angles P-C4'-P energy: -17.188 tors. eta vs tors. theta energy: -14.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1199.942069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.942069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.942069 (E_RNA) where: Base-Base interactions energy: -858.227 where: short stacking energy: -361.742 Base-Backbone interact. energy: -3.269 local terms energy: -338.446265 where: bonds (distance) C4'-P energy: -64.645 bonds (distance) P-C4' energy: -66.103 flat angles C4'-P-C4' energy: -78.019 flat angles P-C4'-P energy: -36.825 tors. eta vs tors. theta energy: -92.855 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: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1148.355765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.355765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.355765 (E_RNA) where: Base-Base interactions energy: -823.540 where: short stacking energy: -327.325 Base-Backbone interact. energy: 0.390 local terms energy: -325.205674 where: bonds (distance) C4'-P energy: -57.050 bonds (distance) P-C4' energy: -56.487 flat angles C4'-P-C4' energy: -74.587 flat angles P-C4'-P energy: -51.456 tors. eta vs tors. theta energy: -85.626 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: 9 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1066.178036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.178036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.178036 (E_RNA) where: Base-Base interactions energy: -747.112 where: short stacking energy: -320.475 Base-Backbone interact. energy: -2.495 local terms energy: -316.571046 where: bonds (distance) C4'-P energy: -57.063 bonds (distance) P-C4' energy: -62.634 flat angles C4'-P-C4' energy: -69.662 flat angles P-C4'-P energy: -38.159 tors. eta vs tors. theta energy: -89.053 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: 4 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1096.844339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.844339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.844339 (E_RNA) where: Base-Base interactions energy: -779.168 where: short stacking energy: -354.982 Base-Backbone interact. energy: -1.431 local terms energy: -316.245629 where: bonds (distance) C4'-P energy: -53.277 bonds (distance) P-C4' energy: -51.283 flat angles C4'-P-C4' energy: -65.434 flat angles P-C4'-P energy: -42.888 tors. eta vs tors. theta energy: -103.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1010.073438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.073438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.073438 (E_RNA) where: Base-Base interactions energy: -674.187 where: short stacking energy: -266.185 Base-Backbone interact. energy: -2.591 local terms energy: -333.295369 where: bonds (distance) C4'-P energy: -70.480 bonds (distance) P-C4' energy: -59.152 flat angles C4'-P-C4' energy: -67.778 flat angles P-C4'-P energy: -51.585 tors. eta vs tors. theta energy: -84.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -810.449807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.449807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.449807 (E_RNA) where: Base-Base interactions energy: -536.437 where: short stacking energy: -255.597 Base-Backbone interact. energy: -0.065 local terms energy: -273.948281 where: bonds (distance) C4'-P energy: -54.450 bonds (distance) P-C4' energy: -51.901 flat angles C4'-P-C4' energy: -63.989 flat angles P-C4'-P energy: -40.954 tors. eta vs tors. theta energy: -62.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -892.278045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.278045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.278045 (E_RNA) where: Base-Base interactions energy: -624.826 where: short stacking energy: -279.051 Base-Backbone interact. energy: -1.137 local terms energy: -266.314651 where: bonds (distance) C4'-P energy: -51.277 bonds (distance) P-C4' energy: -54.054 flat angles C4'-P-C4' energy: -61.191 flat angles P-C4'-P energy: -36.303 tors. eta vs tors. theta energy: -63.490 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: 2 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -769.235492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.235492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.235492 (E_RNA) where: Base-Base interactions energy: -500.855 where: short stacking energy: -209.514 Base-Backbone interact. energy: 2.096 local terms energy: -270.476508 where: bonds (distance) C4'-P energy: -60.012 bonds (distance) P-C4' energy: -58.177 flat angles C4'-P-C4' energy: -63.210 flat angles P-C4'-P energy: -33.524 tors. eta vs tors. theta energy: -55.553 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: 7 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -619.623807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.623807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.623807 (E_RNA) where: Base-Base interactions energy: -388.363 where: short stacking energy: -178.074 Base-Backbone interact. energy: -1.183 local terms energy: -230.078113 where: bonds (distance) C4'-P energy: -64.008 bonds (distance) P-C4' energy: -50.799 flat angles C4'-P-C4' energy: -56.957 flat angles P-C4'-P energy: -28.453 tors. eta vs tors. theta energy: -29.861 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: 10, replica: 3 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -594.143629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.143629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.143629 (E_RNA) where: Base-Base interactions energy: -371.682 where: short stacking energy: -157.907 Base-Backbone interact. energy: -0.301 local terms energy: -222.160705 where: bonds (distance) C4'-P energy: -49.312 bonds (distance) P-C4' energy: -65.550 flat angles C4'-P-C4' energy: -51.868 flat angles P-C4'-P energy: -24.469 tors. eta vs tors. theta energy: -30.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1200.074738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.074738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.074738 (E_RNA) where: Base-Base interactions energy: -853.109 where: short stacking energy: -347.628 Base-Backbone interact. energy: -2.073 local terms energy: -344.892268 where: bonds (distance) C4'-P energy: -62.075 bonds (distance) P-C4' energy: -69.192 flat angles C4'-P-C4' energy: -70.589 flat angles P-C4'-P energy: -55.070 tors. eta vs tors. theta energy: -87.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1108.920571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.920571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.920571 (E_RNA) where: Base-Base interactions energy: -755.876 where: short stacking energy: -340.569 Base-Backbone interact. energy: -2.302 local terms energy: -350.742677 where: bonds (distance) C4'-P energy: -62.968 bonds (distance) P-C4' energy: -70.484 flat angles C4'-P-C4' energy: -78.689 flat angles P-C4'-P energy: -47.556 tors. eta vs tors. theta energy: -91.046 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: 1 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1099.079596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.079596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.079596 (E_RNA) where: Base-Base interactions energy: -783.022 where: short stacking energy: -312.910 Base-Backbone interact. energy: -1.028 local terms energy: -315.029820 where: bonds (distance) C4'-P energy: -61.083 bonds (distance) P-C4' energy: -60.865 flat angles C4'-P-C4' energy: -68.614 flat angles P-C4'-P energy: -44.763 tors. eta vs tors. theta energy: -79.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1094.496595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.496595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.496595 (E_RNA) where: Base-Base interactions energy: -755.938 where: short stacking energy: -337.830 Base-Backbone interact. energy: -1.971 local terms energy: -336.587596 where: bonds (distance) C4'-P energy: -61.981 bonds (distance) P-C4' energy: -60.818 flat angles C4'-P-C4' energy: -70.175 flat angles P-C4'-P energy: -37.798 tors. eta vs tors. theta energy: -105.815 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: 6 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -981.773086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.773086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.773086 (E_RNA) where: Base-Base interactions energy: -699.986 where: short stacking energy: -277.194 Base-Backbone interact. energy: -2.057 local terms energy: -279.730511 where: bonds (distance) C4'-P energy: -56.982 bonds (distance) P-C4' energy: -59.868 flat angles C4'-P-C4' energy: -58.005 flat angles P-C4'-P energy: -30.749 tors. eta vs tors. theta energy: -74.126 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: 6, replica: 8 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -897.002940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.002940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.002940 (E_RNA) where: Base-Base interactions energy: -611.207 where: short stacking energy: -277.858 Base-Backbone interact. energy: -1.764 local terms energy: -284.032323 where: bonds (distance) C4'-P energy: -51.125 bonds (distance) P-C4' energy: -56.264 flat angles C4'-P-C4' energy: -72.475 flat angles P-C4'-P energy: -39.316 tors. eta vs tors. theta energy: -64.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -814.502119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.502119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.502119 (E_RNA) where: Base-Base interactions energy: -557.110 where: short stacking energy: -247.831 Base-Backbone interact. energy: -2.543 local terms energy: -254.849690 where: bonds (distance) C4'-P energy: -47.401 bonds (distance) P-C4' energy: -49.656 flat angles C4'-P-C4' energy: -56.487 flat angles P-C4'-P energy: -34.590 tors. eta vs tors. theta energy: -66.715 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: 2 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -725.385141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.385141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.385141 (E_RNA) where: Base-Base interactions energy: -496.556 where: short stacking energy: -221.388 Base-Backbone interact. energy: -0.644 local terms energy: -228.184458 where: bonds (distance) C4'-P energy: -42.547 bonds (distance) P-C4' energy: -50.650 flat angles C4'-P-C4' energy: -48.565 flat angles P-C4'-P energy: -40.585 tors. eta vs tors. theta energy: -45.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -689.396736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.396736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.396736 (E_RNA) where: Base-Base interactions energy: -460.392 where: short stacking energy: -204.618 Base-Backbone interact. energy: 2.051 local terms energy: -231.056124 where: bonds (distance) C4'-P energy: -52.905 bonds (distance) P-C4' energy: -48.717 flat angles C4'-P-C4' energy: -52.462 flat angles P-C4'-P energy: -38.380 tors. eta vs tors. theta energy: -38.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -549.462507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.462507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.462507 (E_RNA) where: Base-Base interactions energy: -343.207 where: short stacking energy: -163.729 Base-Backbone interact. energy: -1.142 local terms energy: -205.112887 where: bonds (distance) C4'-P energy: -58.065 bonds (distance) P-C4' energy: -33.892 flat angles C4'-P-C4' energy: -55.038 flat angles P-C4'-P energy: -32.101 tors. eta vs tors. theta energy: -26.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1198.473982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.473982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.473982 (E_RNA) where: Base-Base interactions energy: -867.852 where: short stacking energy: -357.429 Base-Backbone interact. energy: -0.929 local terms energy: -329.692302 where: bonds (distance) C4'-P energy: -63.550 bonds (distance) P-C4' energy: -61.201 flat angles C4'-P-C4' energy: -69.748 flat angles P-C4'-P energy: -46.007 tors. eta vs tors. theta energy: -89.186 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: 9 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1102.608989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.608989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.608989 (E_RNA) where: Base-Base interactions energy: -754.773 where: short stacking energy: -347.167 Base-Backbone interact. energy: -1.463 local terms energy: -346.372723 where: bonds (distance) C4'-P energy: -59.315 bonds (distance) P-C4' energy: -69.532 flat angles C4'-P-C4' energy: -72.800 flat angles P-C4'-P energy: -48.649 tors. eta vs tors. theta energy: -96.076 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: 4 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1120.069391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.069391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.069391 (E_RNA) where: Base-Base interactions energy: -782.814 where: short stacking energy: -347.348 Base-Backbone interact. energy: 0.546 local terms energy: -337.801407 where: bonds (distance) C4'-P energy: -68.813 bonds (distance) P-C4' energy: -67.254 flat angles C4'-P-C4' energy: -63.780 flat angles P-C4'-P energy: -40.755 tors. eta vs tors. theta energy: -97.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1080.614642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.614642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.614642 (E_RNA) where: Base-Base interactions energy: -764.649 where: short stacking energy: -309.742 Base-Backbone interact. energy: -1.014 local terms energy: -314.951425 where: bonds (distance) C4'-P energy: -55.749 bonds (distance) P-C4' energy: -67.117 flat angles C4'-P-C4' energy: -62.332 flat angles P-C4'-P energy: -51.238 tors. eta vs tors. theta energy: -78.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1000.598377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.598377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.598377 (E_RNA) where: Base-Base interactions energy: -704.525 where: short stacking energy: -283.939 Base-Backbone interact. energy: -4.888 local terms energy: -291.185264 where: bonds (distance) C4'-P energy: -46.113 bonds (distance) P-C4' energy: -54.595 flat angles C4'-P-C4' energy: -65.169 flat angles P-C4'-P energy: -45.968 tors. eta vs tors. theta energy: -79.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -938.264550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.264550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.264550 (E_RNA) where: Base-Base interactions energy: -656.940 where: short stacking energy: -307.382 Base-Backbone interact. energy: 1.607 local terms energy: -282.930596 where: bonds (distance) C4'-P energy: -46.723 bonds (distance) P-C4' energy: -56.239 flat angles C4'-P-C4' energy: -65.386 flat angles P-C4'-P energy: -39.714 tors. eta vs tors. theta energy: -74.869 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: 2 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -772.368226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.368226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.368226 (E_RNA) where: Base-Base interactions energy: -511.978 where: short stacking energy: -235.845 Base-Backbone interact. energy: -2.934 local terms energy: -257.455817 where: bonds (distance) C4'-P energy: -49.159 bonds (distance) P-C4' energy: -45.751 flat angles C4'-P-C4' energy: -63.949 flat angles P-C4'-P energy: -44.882 tors. eta vs tors. theta energy: -53.715 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: 5 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -811.250120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.250120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.250120 (E_RNA) where: Base-Base interactions energy: -557.114 where: short stacking energy: -228.499 Base-Backbone interact. energy: -2.266 local terms energy: -251.870011 where: bonds (distance) C4'-P energy: -42.040 bonds (distance) P-C4' energy: -56.081 flat angles C4'-P-C4' energy: -57.019 flat angles P-C4'-P energy: -41.140 tors. eta vs tors. theta energy: -55.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -647.233722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.233722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.233722 (E_RNA) where: Base-Base interactions energy: -415.671 where: short stacking energy: -183.721 Base-Backbone interact. energy: 0.087 local terms energy: -231.650436 where: bonds (distance) C4'-P energy: -43.403 bonds (distance) P-C4' energy: -61.773 flat angles C4'-P-C4' energy: -58.230 flat angles P-C4'-P energy: -28.757 tors. eta vs tors. theta energy: -39.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -533.769080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.769080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.769080 (E_RNA) where: Base-Base interactions energy: -341.326 where: short stacking energy: -133.646 Base-Backbone interact. energy: -0.685 local terms energy: -191.757969 where: bonds (distance) C4'-P energy: -61.166 bonds (distance) P-C4' energy: -55.711 flat angles C4'-P-C4' energy: -54.242 flat angles P-C4'-P energy: -21.496 tors. eta vs tors. theta energy: 0.857 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: 10 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1203.668078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.668078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.668078 (E_RNA) where: Base-Base interactions energy: -876.811 where: short stacking energy: -358.573 Base-Backbone interact. energy: 0.326 local terms energy: -327.183011 where: bonds (distance) C4'-P energy: -57.212 bonds (distance) P-C4' energy: -57.330 flat angles C4'-P-C4' energy: -75.891 flat angles P-C4'-P energy: -46.205 tors. eta vs tors. theta energy: -90.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1141.507054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.507054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.507054 (E_RNA) where: Base-Base interactions energy: -804.680 where: short stacking energy: -356.665 Base-Backbone interact. energy: -0.279 local terms energy: -336.548518 where: bonds (distance) C4'-P energy: -57.788 bonds (distance) P-C4' energy: -64.499 flat angles C4'-P-C4' energy: -71.827 flat angles P-C4'-P energy: -43.822 tors. eta vs tors. theta energy: -98.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1063.043944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.043944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.043944 (E_RNA) where: Base-Base interactions energy: -735.503 where: short stacking energy: -309.431 Base-Backbone interact. energy: -1.631 local terms energy: -325.909838 where: bonds (distance) C4'-P energy: -67.376 bonds (distance) P-C4' energy: -67.556 flat angles C4'-P-C4' energy: -72.155 flat angles P-C4'-P energy: -39.660 tors. eta vs tors. theta energy: -79.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1113.535828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.535828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.535828 (E_RNA) where: Base-Base interactions energy: -803.287 where: short stacking energy: -334.862 Base-Backbone interact. energy: -0.465 local terms energy: -309.783640 where: bonds (distance) C4'-P energy: -60.247 bonds (distance) P-C4' energy: -60.651 flat angles C4'-P-C4' energy: -60.394 flat angles P-C4'-P energy: -47.132 tors. eta vs tors. theta energy: -81.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -998.394755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.394755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.394755 (E_RNA) where: Base-Base interactions energy: -686.184 where: short stacking energy: -300.643 Base-Backbone interact. energy: -1.112 local terms energy: -311.098887 where: bonds (distance) C4'-P energy: -57.840 bonds (distance) P-C4' energy: -62.671 flat angles C4'-P-C4' energy: -60.275 flat angles P-C4'-P energy: -46.019 tors. eta vs tors. theta energy: -84.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -933.225313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.225313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.225313 (E_RNA) where: Base-Base interactions energy: -655.636 where: short stacking energy: -289.931 Base-Backbone interact. energy: -1.289 local terms energy: -276.299766 where: bonds (distance) C4'-P energy: -46.480 bonds (distance) P-C4' energy: -61.137 flat angles C4'-P-C4' energy: -55.607 flat angles P-C4'-P energy: -37.118 tors. eta vs tors. theta energy: -75.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -780.977844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.977844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.977844 (E_RNA) where: Base-Base interactions energy: -525.334 where: short stacking energy: -219.840 Base-Backbone interact. energy: -1.041 local terms energy: -254.603605 where: bonds (distance) C4'-P energy: -53.846 bonds (distance) P-C4' energy: -65.214 flat angles C4'-P-C4' energy: -54.911 flat angles P-C4'-P energy: -29.136 tors. eta vs tors. theta energy: -51.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -806.257063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.257063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.257063 (E_RNA) where: Base-Base interactions energy: -541.344 where: short stacking energy: -233.988 Base-Backbone interact. energy: 0.795 local terms energy: -265.707848 where: bonds (distance) C4'-P energy: -54.879 bonds (distance) P-C4' energy: -62.462 flat angles C4'-P-C4' energy: -61.444 flat angles P-C4'-P energy: -35.817 tors. eta vs tors. theta energy: -51.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -588.003846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.003846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.003846 (E_RNA) where: Base-Base interactions energy: -361.345 where: short stacking energy: -160.750 Base-Backbone interact. energy: 0.198 local terms energy: -226.857185 where: bonds (distance) C4'-P energy: -49.715 bonds (distance) P-C4' energy: -54.446 flat angles C4'-P-C4' energy: -61.954 flat angles P-C4'-P energy: -36.231 tors. eta vs tors. theta energy: -24.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -541.209654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.209654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.209654 (E_RNA) where: Base-Base interactions energy: -348.926 where: short stacking energy: -156.604 Base-Backbone interact. energy: 0.018 local terms energy: -192.301636 where: bonds (distance) C4'-P energy: -55.547 bonds (distance) P-C4' energy: -39.247 flat angles C4'-P-C4' energy: -47.307 flat angles P-C4'-P energy: -27.064 tors. eta vs tors. theta energy: -23.136 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: 10 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1199.302208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.302208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.302208 (E_RNA) where: Base-Base interactions energy: -849.821 where: short stacking energy: -350.086 Base-Backbone interact. energy: -2.205 local terms energy: -347.275848 where: bonds (distance) C4'-P energy: -62.226 bonds (distance) P-C4' energy: -68.184 flat angles C4'-P-C4' energy: -78.933 flat angles P-C4'-P energy: -42.935 tors. eta vs tors. theta energy: -94.997 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: 4 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1150.427328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.427328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.427328 (E_RNA) where: Base-Base interactions energy: -789.903 where: short stacking energy: -346.059 Base-Backbone interact. energy: -0.306 local terms energy: -360.218452 where: bonds (distance) C4'-P energy: -69.962 bonds (distance) P-C4' energy: -62.646 flat angles C4'-P-C4' energy: -76.056 flat angles P-C4'-P energy: -54.031 tors. eta vs tors. theta energy: -97.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1119.759782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.759782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.759782 (E_RNA) where: Base-Base interactions energy: -796.750 where: short stacking energy: -310.441 Base-Backbone interact. energy: -2.665 local terms energy: -320.344429 where: bonds (distance) C4'-P energy: -54.118 bonds (distance) P-C4' energy: -68.394 flat angles C4'-P-C4' energy: -70.078 flat angles P-C4'-P energy: -47.165 tors. eta vs tors. theta energy: -80.590 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: 354 Temperature: 1.050000 Total energy: -1028.276487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.276487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.276487 (E_RNA) where: Base-Base interactions energy: -721.964 where: short stacking energy: -304.740 Base-Backbone interact. energy: -1.061 local terms energy: -305.251033 where: bonds (distance) C4'-P energy: -59.850 bonds (distance) P-C4' energy: -59.244 flat angles C4'-P-C4' energy: -65.561 flat angles P-C4'-P energy: -46.923 tors. eta vs tors. theta energy: -73.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -980.426119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.426119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.426119 (E_RNA) where: Base-Base interactions energy: -690.350 where: short stacking energy: -283.928 Base-Backbone interact. energy: -2.514 local terms energy: -287.562173 where: bonds (distance) C4'-P energy: -42.747 bonds (distance) P-C4' energy: -63.969 flat angles C4'-P-C4' energy: -65.868 flat angles P-C4'-P energy: -38.686 tors. eta vs tors. theta energy: -76.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -924.656727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.656727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.656727 (E_RNA) where: Base-Base interactions energy: -636.200 where: short stacking energy: -266.978 Base-Backbone interact. energy: -0.653 local terms energy: -287.803172 where: bonds (distance) C4'-P energy: -55.784 bonds (distance) P-C4' energy: -51.870 flat angles C4'-P-C4' energy: -62.162 flat angles P-C4'-P energy: -43.762 tors. eta vs tors. theta energy: -74.225 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: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -802.407190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.407190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.407190 (E_RNA) where: Base-Base interactions energy: -542.851 where: short stacking energy: -250.232 Base-Backbone interact. energy: -1.200 local terms energy: -258.356398 where: bonds (distance) C4'-P energy: -49.106 bonds (distance) P-C4' energy: -61.498 flat angles C4'-P-C4' energy: -57.064 flat angles P-C4'-P energy: -36.742 tors. eta vs tors. theta energy: -53.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -762.045964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.045964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.045964 (E_RNA) where: Base-Base interactions energy: -516.650 where: short stacking energy: -219.951 Base-Backbone interact. energy: -0.822 local terms energy: -244.574044 where: bonds (distance) C4'-P energy: -57.981 bonds (distance) P-C4' energy: -48.825 flat angles C4'-P-C4' energy: -54.080 flat angles P-C4'-P energy: -34.105 tors. eta vs tors. theta energy: -49.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -626.677965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.677965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.677965 (E_RNA) where: Base-Base interactions energy: -409.872 where: short stacking energy: -192.442 Base-Backbone interact. energy: -1.566 local terms energy: -215.240302 where: bonds (distance) C4'-P energy: -47.234 bonds (distance) P-C4' energy: -52.440 flat angles C4'-P-C4' energy: -61.712 flat angles P-C4'-P energy: -27.918 tors. eta vs tors. theta energy: -25.935 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: 10, replica: 3 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -516.882244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.882244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.882244 (E_RNA) where: Base-Base interactions energy: -311.696 where: short stacking energy: -149.758 Base-Backbone interact. energy: -1.866 local terms energy: -203.320319 where: bonds (distance) C4'-P energy: -43.566 bonds (distance) P-C4' energy: -41.846 flat angles C4'-P-C4' energy: -45.045 flat angles P-C4'-P energy: -42.801 tors. eta vs tors. theta energy: -30.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1204.798648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.798648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.798648 (E_RNA) where: Base-Base interactions energy: -846.818 where: short stacking energy: -354.851 Base-Backbone interact. energy: -0.987 local terms energy: -356.993519 where: bonds (distance) C4'-P energy: -66.015 bonds (distance) P-C4' energy: -70.491 flat angles C4'-P-C4' energy: -77.189 flat angles P-C4'-P energy: -53.277 tors. eta vs tors. theta energy: -90.022 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: 4 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1150.551549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.551549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.551549 (E_RNA) where: Base-Base interactions energy: -796.818 where: short stacking energy: -366.847 Base-Backbone interact. energy: 0.759 local terms energy: -354.493144 where: bonds (distance) C4'-P energy: -61.900 bonds (distance) P-C4' energy: -58.093 flat angles C4'-P-C4' energy: -76.804 flat angles P-C4'-P energy: -52.065 tors. eta vs tors. theta energy: -105.631 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: 1 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1080.597777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.597777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.597777 (E_RNA) where: Base-Base interactions energy: -780.372 where: short stacking energy: -304.729 Base-Backbone interact. energy: 0.438 local terms energy: -300.663703 where: bonds (distance) C4'-P energy: -58.363 bonds (distance) P-C4' energy: -50.732 flat angles C4'-P-C4' energy: -63.614 flat angles P-C4'-P energy: -52.779 tors. eta vs tors. theta energy: -75.175 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: 6 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1018.425258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.425258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.425258 (E_RNA) where: Base-Base interactions energy: -705.705 where: short stacking energy: -294.247 Base-Backbone interact. energy: -1.154 local terms energy: -311.566559 where: bonds (distance) C4'-P energy: -53.599 bonds (distance) P-C4' energy: -65.065 flat angles C4'-P-C4' energy: -71.595 flat angles P-C4'-P energy: -46.933 tors. eta vs tors. theta energy: -74.375 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: 355 Temperature: 1.100000 Total energy: -971.494744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.494744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.494744 (E_RNA) where: Base-Base interactions energy: -668.270 where: short stacking energy: -295.073 Base-Backbone interact. energy: -0.543 local terms energy: -302.681671 where: bonds (distance) C4'-P energy: -62.621 bonds (distance) P-C4' energy: -59.388 flat angles C4'-P-C4' energy: -67.098 flat angles P-C4'-P energy: -33.845 tors. eta vs tors. theta energy: -79.730 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: 6, replica: 8 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -946.644864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.644864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.644864 (E_RNA) where: Base-Base interactions energy: -653.621 where: short stacking energy: -287.863 Base-Backbone interact. energy: -1.251 local terms energy: -291.772958 where: bonds (distance) C4'-P energy: -55.943 bonds (distance) P-C4' energy: -60.455 flat angles C4'-P-C4' energy: -63.937 flat angles P-C4'-P energy: -45.530 tors. eta vs tors. theta energy: -65.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -768.062344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.062344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.062344 (E_RNA) where: Base-Base interactions energy: -513.946 where: short stacking energy: -226.207 Base-Backbone interact. energy: -2.827 local terms energy: -251.289652 where: bonds (distance) C4'-P energy: -40.887 bonds (distance) P-C4' energy: -59.272 flat angles C4'-P-C4' energy: -50.518 flat angles P-C4'-P energy: -45.245 tors. eta vs tors. theta energy: -55.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -720.269019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.269019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.269019 (E_RNA) where: Base-Base interactions energy: -457.347 where: short stacking energy: -202.400 Base-Backbone interact. energy: -1.020 local terms energy: -261.902008 where: bonds (distance) C4'-P energy: -45.042 bonds (distance) P-C4' energy: -63.023 flat angles C4'-P-C4' energy: -63.179 flat angles P-C4'-P energy: -45.110 tors. eta vs tors. theta energy: -45.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -779.209283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.209283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.209283 (E_RNA) where: Base-Base interactions energy: -532.705 where: short stacking energy: -221.029 Base-Backbone interact. energy: -0.916 local terms energy: -245.588392 where: bonds (distance) C4'-P energy: -55.766 bonds (distance) P-C4' energy: -48.215 flat angles C4'-P-C4' energy: -51.727 flat angles P-C4'-P energy: -40.588 tors. eta vs tors. theta energy: -49.292 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: 3 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -514.852016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.852016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.852016 (E_RNA) where: Base-Base interactions energy: -318.503 where: short stacking energy: -134.748 Base-Backbone interact. energy: 4.709 local terms energy: -201.058152 where: bonds (distance) C4'-P energy: -52.049 bonds (distance) P-C4' energy: -45.545 flat angles C4'-P-C4' energy: -57.883 flat angles P-C4'-P energy: -37.175 tors. eta vs tors. theta energy: -8.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1201.265098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.265098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.265098 (E_RNA) where: Base-Base interactions energy: -865.782 where: short stacking energy: -360.050 Base-Backbone interact. energy: 1.475 local terms energy: -336.957895 where: bonds (distance) C4'-P energy: -66.123 bonds (distance) P-C4' energy: -55.826 flat angles C4'-P-C4' energy: -80.614 flat angles P-C4'-P energy: -48.641 tors. eta vs tors. theta energy: -85.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1141.695863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.695863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.695863 (E_RNA) where: Base-Base interactions energy: -796.001 where: short stacking energy: -358.299 Base-Backbone interact. energy: -1.120 local terms energy: -344.574585 where: bonds (distance) C4'-P energy: -67.951 bonds (distance) P-C4' energy: -62.732 flat angles C4'-P-C4' energy: -71.698 flat angles P-C4'-P energy: -43.440 tors. eta vs tors. theta energy: -98.753 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: 1 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1069.043836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.043836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.043836 (E_RNA) where: Base-Base interactions energy: -750.413 where: short stacking energy: -305.200 Base-Backbone interact. energy: -1.363 local terms energy: -317.268029 where: bonds (distance) C4'-P energy: -65.431 bonds (distance) P-C4' energy: -67.881 flat angles C4'-P-C4' energy: -68.363 flat angles P-C4'-P energy: -43.219 tors. eta vs tors. theta energy: -72.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -985.784034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.784034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.784034 (E_RNA) where: Base-Base interactions energy: -661.242 where: short stacking energy: -287.104 Base-Backbone interact. energy: -2.087 local terms energy: -322.455053 where: bonds (distance) C4'-P energy: -62.297 bonds (distance) P-C4' energy: -67.558 flat angles C4'-P-C4' energy: -70.333 flat angles P-C4'-P energy: -52.065 tors. eta vs tors. theta energy: -70.203 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: 5, replica: 8 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -966.841283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.841283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.841283 (E_RNA) where: Base-Base interactions energy: -669.404 where: short stacking energy: -288.515 Base-Backbone interact. energy: -0.916 local terms energy: -296.520637 where: bonds (distance) C4'-P energy: -53.383 bonds (distance) P-C4' energy: -59.331 flat angles C4'-P-C4' energy: -63.778 flat angles P-C4'-P energy: -41.627 tors. eta vs tors. theta energy: -78.401 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: 9 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -911.145660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.145660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.145660 (E_RNA) where: Base-Base interactions energy: -631.443 where: short stacking energy: -298.076 Base-Backbone interact. energy: -2.842 local terms energy: -276.860608 where: bonds (distance) C4'-P energy: -55.670 bonds (distance) P-C4' energy: -50.984 flat angles C4'-P-C4' energy: -57.646 flat angles P-C4'-P energy: -47.433 tors. eta vs tors. theta energy: -65.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -781.389899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.389899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.389899 (E_RNA) where: Base-Base interactions energy: -510.995 where: short stacking energy: -227.302 Base-Backbone interact. energy: 1.793 local terms energy: -272.187851 where: bonds (distance) C4'-P energy: -60.379 bonds (distance) P-C4' energy: -51.382 flat angles C4'-P-C4' energy: -61.725 flat angles P-C4'-P energy: -34.266 tors. eta vs tors. theta energy: -64.437 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: 8, replica: 5 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -788.006696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.006696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.006696 (E_RNA) where: Base-Base interactions energy: -534.129 where: short stacking energy: -235.269 Base-Backbone interact. energy: -2.434 local terms energy: -251.443667 where: bonds (distance) C4'-P energy: -45.517 bonds (distance) P-C4' energy: -51.547 flat angles C4'-P-C4' energy: -54.870 flat angles P-C4'-P energy: -34.317 tors. eta vs tors. theta energy: -65.193 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: 9, replica: 2 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -710.891802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.891802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.891802 (E_RNA) where: Base-Base interactions energy: -488.731 where: short stacking energy: -198.388 Base-Backbone interact. energy: -0.408 local terms energy: -221.752442 where: bonds (distance) C4'-P energy: -44.794 bonds (distance) P-C4' energy: -52.510 flat angles C4'-P-C4' energy: -56.649 flat angles P-C4'-P energy: -32.741 tors. eta vs tors. theta energy: -35.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -521.202554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.202554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.202554 (E_RNA) where: Base-Base interactions energy: -335.970 where: short stacking energy: -158.113 Base-Backbone interact. energy: -1.448 local terms energy: -183.785050 where: bonds (distance) C4'-P energy: -61.024 bonds (distance) P-C4' energy: -47.502 flat angles C4'-P-C4' energy: -37.958 flat angles P-C4'-P energy: -30.309 tors. eta vs tors. theta energy: -6.992 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: 10 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1197.659076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.659076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.659076 (E_RNA) where: Base-Base interactions energy: -875.579 where: short stacking energy: -360.119 Base-Backbone interact. energy: 0.413 local terms energy: -322.493386 where: bonds (distance) C4'-P energy: -56.548 bonds (distance) P-C4' energy: -65.356 flat angles C4'-P-C4' energy: -72.249 flat angles P-C4'-P energy: -38.088 tors. eta vs tors. theta energy: -90.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1144.928381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.928381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.928381 (E_RNA) where: Base-Base interactions energy: -804.040 where: short stacking energy: -359.863 Base-Backbone interact. energy: -0.838 local terms energy: -340.050548 where: bonds (distance) C4'-P energy: -62.194 bonds (distance) P-C4' energy: -61.958 flat angles C4'-P-C4' energy: -74.202 flat angles P-C4'-P energy: -45.671 tors. eta vs tors. theta energy: -96.025 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: 1 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1076.611956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.611956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.611956 (E_RNA) where: Base-Base interactions energy: -784.558 where: short stacking energy: -319.167 Base-Backbone interact. energy: -0.821 local terms energy: -291.232883 where: bonds (distance) C4'-P energy: -50.991 bonds (distance) P-C4' energy: -57.753 flat angles C4'-P-C4' energy: -65.570 flat angles P-C4'-P energy: -40.590 tors. eta vs tors. theta energy: -76.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -973.585096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.585096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.585096 (E_RNA) where: Base-Base interactions energy: -673.163 where: short stacking energy: -290.938 Base-Backbone interact. energy: -1.717 local terms energy: -298.704718 where: bonds (distance) C4'-P energy: -56.077 bonds (distance) P-C4' energy: -55.394 flat angles C4'-P-C4' energy: -65.758 flat angles P-C4'-P energy: -41.218 tors. eta vs tors. theta energy: -80.257 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: 5, replica: 8 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -937.697344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.697344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.697344 (E_RNA) where: Base-Base interactions energy: -640.287 where: short stacking energy: -282.922 Base-Backbone interact. energy: -1.251 local terms energy: -296.159386 where: bonds (distance) C4'-P energy: -67.270 bonds (distance) P-C4' energy: -56.581 flat angles C4'-P-C4' energy: -65.770 flat angles P-C4'-P energy: -42.887 tors. eta vs tors. theta energy: -63.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -981.394731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.394731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.394731 (E_RNA) where: Base-Base interactions energy: -699.088 where: short stacking energy: -292.600 Base-Backbone interact. energy: 0.355 local terms energy: -282.661891 where: bonds (distance) C4'-P energy: -56.299 bonds (distance) P-C4' energy: -56.179 flat angles C4'-P-C4' energy: -55.811 flat angles P-C4'-P energy: -39.496 tors. eta vs tors. theta energy: -74.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -812.063585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.063585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.063585 (E_RNA) where: Base-Base interactions energy: -564.895 where: short stacking energy: -273.730 Base-Backbone interact. energy: 0.911 local terms energy: -248.079293 where: bonds (distance) C4'-P energy: -43.327 bonds (distance) P-C4' energy: -52.460 flat angles C4'-P-C4' energy: -57.550 flat angles P-C4'-P energy: -29.727 tors. eta vs tors. theta energy: -65.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -797.249766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.249766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.249766 (E_RNA) where: Base-Base interactions energy: -543.268 where: short stacking energy: -253.205 Base-Backbone interact. energy: -1.286 local terms energy: -252.695571 where: bonds (distance) C4'-P energy: -53.380 bonds (distance) P-C4' energy: -57.531 flat angles C4'-P-C4' energy: -57.944 flat angles P-C4'-P energy: -29.340 tors. eta vs tors. theta energy: -54.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -707.731983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.731983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.731983 (E_RNA) where: Base-Base interactions energy: -508.969 where: short stacking energy: -214.499 Base-Backbone interact. energy: 0.329 local terms energy: -199.092695 where: bonds (distance) C4'-P energy: -41.583 bonds (distance) P-C4' energy: -56.210 flat angles C4'-P-C4' energy: -46.714 flat angles P-C4'-P energy: -22.416 tors. eta vs tors. theta energy: -32.170 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: 3 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -534.562342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.562342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.562342 (E_RNA) where: Base-Base interactions energy: -318.131 where: short stacking energy: -129.720 Base-Backbone interact. energy: -2.168 local terms energy: -214.263244 where: bonds (distance) C4'-P energy: -58.234 bonds (distance) P-C4' energy: -53.726 flat angles C4'-P-C4' energy: -52.995 flat angles P-C4'-P energy: -32.030 tors. eta vs tors. theta energy: -17.279 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: 10 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1196.854295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.854295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.854295 (E_RNA) where: Base-Base interactions energy: -852.530 where: short stacking energy: -345.677 Base-Backbone interact. energy: 1.647 local terms energy: -345.971024 where: bonds (distance) C4'-P energy: -62.304 bonds (distance) P-C4' energy: -66.865 flat angles C4'-P-C4' energy: -75.449 flat angles P-C4'-P energy: -46.602 tors. eta vs tors. theta energy: -94.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1152.530615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.530615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.530615 (E_RNA) where: Base-Base interactions energy: -809.915 where: short stacking energy: -354.173 Base-Backbone interact. energy: -1.684 local terms energy: -340.931994 where: bonds (distance) C4'-P energy: -66.631 bonds (distance) P-C4' energy: -63.765 flat angles C4'-P-C4' energy: -65.768 flat angles P-C4'-P energy: -40.746 tors. eta vs tors. theta energy: -104.022 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: 3, replica: 1 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1100.282168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.282168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.282168 (E_RNA) where: Base-Base interactions energy: -779.393 where: short stacking energy: -318.998 Base-Backbone interact. energy: -0.479 local terms energy: -320.409804 where: bonds (distance) C4'-P energy: -53.252 bonds (distance) P-C4' energy: -59.782 flat angles C4'-P-C4' energy: -73.406 flat angles P-C4'-P energy: -53.872 tors. eta vs tors. theta energy: -80.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1012.428391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.428391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.428391 (E_RNA) where: Base-Base interactions energy: -700.682 where: short stacking energy: -278.515 Base-Backbone interact. energy: -0.526 local terms energy: -311.219566 where: bonds (distance) C4'-P energy: -62.697 bonds (distance) P-C4' energy: -62.176 flat angles C4'-P-C4' energy: -63.755 flat angles P-C4'-P energy: -42.181 tors. eta vs tors. theta energy: -80.411 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: 5, replica: 9 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1005.346843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.346843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.346843 (E_RNA) where: Base-Base interactions energy: -700.072 where: short stacking energy: -312.763 Base-Backbone interact. energy: 0.996 local terms energy: -306.270477 where: bonds (distance) C4'-P energy: -49.211 bonds (distance) P-C4' energy: -69.537 flat angles C4'-P-C4' energy: -67.679 flat angles P-C4'-P energy: -43.511 tors. eta vs tors. theta energy: -76.333 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: 8 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -924.832481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.832481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.832481 (E_RNA) where: Base-Base interactions energy: -647.923 where: short stacking energy: -280.689 Base-Backbone interact. energy: -1.020 local terms energy: -275.890114 where: bonds (distance) C4'-P energy: -51.884 bonds (distance) P-C4' energy: -66.883 flat angles C4'-P-C4' energy: -57.506 flat angles P-C4'-P energy: -35.597 tors. eta vs tors. theta energy: -64.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -842.302149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.302149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.302149 (E_RNA) where: Base-Base interactions energy: -559.609 where: short stacking energy: -246.445 Base-Backbone interact. energy: -0.586 local terms energy: -282.107567 where: bonds (distance) C4'-P energy: -47.349 bonds (distance) P-C4' energy: -65.616 flat angles C4'-P-C4' energy: -61.633 flat angles P-C4'-P energy: -38.847 tors. eta vs tors. theta energy: -68.663 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: 7 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -760.061153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.061153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.061153 (E_RNA) where: Base-Base interactions energy: -528.500 where: short stacking energy: -220.935 Base-Backbone interact. energy: 3.958 local terms energy: -235.519127 where: bonds (distance) C4'-P energy: -59.130 bonds (distance) P-C4' energy: -46.136 flat angles C4'-P-C4' energy: -58.155 flat angles P-C4'-P energy: -24.726 tors. eta vs tors. theta energy: -47.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -728.344146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.344146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.344146 (E_RNA) where: Base-Base interactions energy: -494.305 where: short stacking energy: -226.559 Base-Backbone interact. energy: -0.861 local terms energy: -233.178158 where: bonds (distance) C4'-P energy: -48.184 bonds (distance) P-C4' energy: -51.122 flat angles C4'-P-C4' energy: -56.849 flat angles P-C4'-P energy: -31.779 tors. eta vs tors. theta energy: -45.244 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: 3 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -564.465097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.465097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.465097 (E_RNA) where: Base-Base interactions energy: -350.922 where: short stacking energy: -156.201 Base-Backbone interact. energy: 1.041 local terms energy: -214.584410 where: bonds (distance) C4'-P energy: -53.916 bonds (distance) P-C4' energy: -55.605 flat angles C4'-P-C4' energy: -50.021 flat angles P-C4'-P energy: -30.746 tors. eta vs tors. theta energy: -24.296 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: 10 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1205.745174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.745174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.745174 (E_RNA) where: Base-Base interactions energy: -861.305 where: short stacking energy: -361.025 Base-Backbone interact. energy: -0.963 local terms energy: -343.476426 where: bonds (distance) C4'-P energy: -62.536 bonds (distance) P-C4' energy: -61.967 flat angles C4'-P-C4' energy: -78.805 flat angles P-C4'-P energy: -50.145 tors. eta vs tors. theta energy: -90.022 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: 4 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1142.668859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.668859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.668859 (E_RNA) where: Base-Base interactions energy: -814.276 where: short stacking energy: -365.389 Base-Backbone interact. energy: -1.327 local terms energy: -327.065184 where: bonds (distance) C4'-P energy: -50.485 bonds (distance) P-C4' energy: -51.523 flat angles C4'-P-C4' energy: -70.373 flat angles P-C4'-P energy: -52.480 tors. eta vs tors. theta energy: -102.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1101.125242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.125242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.125242 (E_RNA) where: Base-Base interactions energy: -783.603 where: short stacking energy: -309.532 Base-Backbone interact. energy: 0.588 local terms energy: -318.110379 where: bonds (distance) C4'-P energy: -58.270 bonds (distance) P-C4' energy: -60.556 flat angles C4'-P-C4' energy: -73.252 flat angles P-C4'-P energy: -54.629 tors. eta vs tors. theta energy: -71.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1015.570454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.570454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.570454 (E_RNA) where: Base-Base interactions energy: -722.054 where: short stacking energy: -292.830 Base-Backbone interact. energy: 0.371 local terms energy: -293.887774 where: bonds (distance) C4'-P energy: -59.100 bonds (distance) P-C4' energy: -60.035 flat angles C4'-P-C4' energy: -58.731 flat angles P-C4'-P energy: -41.630 tors. eta vs tors. theta energy: -74.392 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: 6 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -974.220741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.220741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.220741 (E_RNA) where: Base-Base interactions energy: -668.361 where: short stacking energy: -277.280 Base-Backbone interact. energy: -3.979 local terms energy: -301.879965 where: bonds (distance) C4'-P energy: -64.998 bonds (distance) P-C4' energy: -55.926 flat angles C4'-P-C4' energy: -63.038 flat angles P-C4'-P energy: -37.597 tors. eta vs tors. theta energy: -80.322 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: 6, replica: 8 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -935.748293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.748293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.748293 (E_RNA) where: Base-Base interactions energy: -643.361 where: short stacking energy: -290.054 Base-Backbone interact. energy: -0.032 local terms energy: -292.355221 where: bonds (distance) C4'-P energy: -52.394 bonds (distance) P-C4' energy: -58.796 flat angles C4'-P-C4' energy: -59.271 flat angles P-C4'-P energy: -42.000 tors. eta vs tors. theta energy: -79.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -801.433735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.433735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.433735 (E_RNA) where: Base-Base interactions energy: -537.777 where: short stacking energy: -245.154 Base-Backbone interact. energy: -0.963 local terms energy: -262.692875 where: bonds (distance) C4'-P energy: -47.745 bonds (distance) P-C4' energy: -69.595 flat angles C4'-P-C4' energy: -49.035 flat angles P-C4'-P energy: -43.400 tors. eta vs tors. theta energy: -52.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -802.848893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.848893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.848893 (E_RNA) where: Base-Base interactions energy: -535.489 where: short stacking energy: -243.141 Base-Backbone interact. energy: -0.912 local terms energy: -266.448610 where: bonds (distance) C4'-P energy: -47.612 bonds (distance) P-C4' energy: -59.820 flat angles C4'-P-C4' energy: -63.664 flat angles P-C4'-P energy: -35.934 tors. eta vs tors. theta energy: -59.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -744.705855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.705855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.705855 (E_RNA) where: Base-Base interactions energy: -507.289 where: short stacking energy: -198.982 Base-Backbone interact. energy: 1.634 local terms energy: -239.050234 where: bonds (distance) C4'-P energy: -53.061 bonds (distance) P-C4' energy: -65.068 flat angles C4'-P-C4' energy: -41.700 flat angles P-C4'-P energy: -38.820 tors. eta vs tors. theta energy: -40.402 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: 3 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -521.248359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.248359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.248359 (E_RNA) where: Base-Base interactions energy: -324.386 where: short stacking energy: -136.771 Base-Backbone interact. energy: -0.119 local terms energy: -196.744025 where: bonds (distance) C4'-P energy: -49.781 bonds (distance) P-C4' energy: -57.023 flat angles C4'-P-C4' energy: -29.278 flat angles P-C4'-P energy: -39.738 tors. eta vs tors. theta energy: -20.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1192.373556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.373556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.373556 (E_RNA) where: Base-Base interactions energy: -826.347 where: short stacking energy: -368.924 Base-Backbone interact. energy: -0.856 local terms energy: -365.170702 where: bonds (distance) C4'-P energy: -66.422 bonds (distance) P-C4' energy: -60.794 flat angles C4'-P-C4' energy: -78.938 flat angles P-C4'-P energy: -57.096 tors. eta vs tors. theta energy: -101.921 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: 2, replica: 10 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1182.386780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.386780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.386780 (E_RNA) where: Base-Base interactions energy: -851.009 where: short stacking energy: -347.084 Base-Backbone interact. energy: 0.558 local terms energy: -331.935617 where: bonds (distance) C4'-P energy: -62.419 bonds (distance) P-C4' energy: -68.198 flat angles C4'-P-C4' energy: -72.227 flat angles P-C4'-P energy: -41.483 tors. eta vs tors. theta energy: -87.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1064.368147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.368147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.368147 (E_RNA) where: Base-Base interactions energy: -741.551 where: short stacking energy: -300.051 Base-Backbone interact. energy: 0.763 local terms energy: -323.579332 where: bonds (distance) C4'-P energy: -56.643 bonds (distance) P-C4' energy: -63.823 flat angles C4'-P-C4' energy: -72.640 flat angles P-C4'-P energy: -45.589 tors. eta vs tors. theta energy: -84.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1083.522145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.522145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.522145 (E_RNA) where: Base-Base interactions energy: -771.176 where: short stacking energy: -301.544 Base-Backbone interact. energy: -2.127 local terms energy: -310.219795 where: bonds (distance) C4'-P energy: -59.121 bonds (distance) P-C4' energy: -64.643 flat angles C4'-P-C4' energy: -67.143 flat angles P-C4'-P energy: -47.229 tors. eta vs tors. theta energy: -72.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -967.239382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.239382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.239382 (E_RNA) where: Base-Base interactions energy: -663.426 where: short stacking energy: -297.315 Base-Backbone interact. energy: -2.556 local terms energy: -301.257077 where: bonds (distance) C4'-P energy: -53.096 bonds (distance) P-C4' energy: -68.899 flat angles C4'-P-C4' energy: -67.209 flat angles P-C4'-P energy: -37.550 tors. eta vs tors. theta energy: -74.503 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: 6, replica: 6 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -919.602850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.602850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.602850 (E_RNA) where: Base-Base interactions energy: -650.225 where: short stacking energy: -270.092 Base-Backbone interact. energy: -3.818 local terms energy: -265.560123 where: bonds (distance) C4'-P energy: -44.995 bonds (distance) P-C4' energy: -53.093 flat angles C4'-P-C4' energy: -58.603 flat angles P-C4'-P energy: -35.093 tors. eta vs tors. theta energy: -73.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -805.059252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.059252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.059252 (E_RNA) where: Base-Base interactions energy: -550.315 where: short stacking energy: -240.207 Base-Backbone interact. energy: 9.801 local terms energy: -264.545228 where: bonds (distance) C4'-P energy: -52.533 bonds (distance) P-C4' energy: -56.307 flat angles C4'-P-C4' energy: -62.857 flat angles P-C4'-P energy: -44.942 tors. eta vs tors. theta energy: -47.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -757.367071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.367071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.367071 (E_RNA) where: Base-Base interactions energy: -512.834 where: short stacking energy: -227.018 Base-Backbone interact. energy: -1.642 local terms energy: -242.891608 where: bonds (distance) C4'-P energy: -60.845 bonds (distance) P-C4' energy: -52.011 flat angles C4'-P-C4' energy: -57.670 flat angles P-C4'-P energy: -32.462 tors. eta vs tors. theta energy: -39.904 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: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -740.502289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.502289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.502289 (E_RNA) where: Base-Base interactions energy: -490.665 where: short stacking energy: -226.039 Base-Backbone interact. energy: -0.682 local terms energy: -249.155553 where: bonds (distance) C4'-P energy: -51.572 bonds (distance) P-C4' energy: -56.477 flat angles C4'-P-C4' energy: -56.570 flat angles P-C4'-P energy: -34.925 tors. eta vs tors. theta energy: -49.610 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: 3 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -598.136758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.136758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.136758 (E_RNA) where: Base-Base interactions energy: -390.276 where: short stacking energy: -178.500 Base-Backbone interact. energy: 1.345 local terms energy: -209.205284 where: bonds (distance) C4'-P energy: -37.529 bonds (distance) P-C4' energy: -54.287 flat angles C4'-P-C4' energy: -52.784 flat angles P-C4'-P energy: -35.719 tors. eta vs tors. theta energy: -28.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1179.413594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.413594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.413594 (E_RNA) where: Base-Base interactions energy: -830.210 where: short stacking energy: -375.259 Base-Backbone interact. energy: -0.396 local terms energy: -348.807723 where: bonds (distance) C4'-P energy: -62.195 bonds (distance) P-C4' energy: -63.971 flat angles C4'-P-C4' energy: -65.681 flat angles P-C4'-P energy: -53.954 tors. eta vs tors. theta energy: -103.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1175.795431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.795431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.795431 (E_RNA) where: Base-Base interactions energy: -846.087 where: short stacking energy: -349.071 Base-Backbone interact. energy: 3.491 local terms energy: -333.199051 where: bonds (distance) C4'-P energy: -67.732 bonds (distance) P-C4' energy: -60.295 flat angles C4'-P-C4' energy: -71.919 flat angles P-C4'-P energy: -48.009 tors. eta vs tors. theta energy: -85.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1055.440963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.440963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.440963 (E_RNA) where: Base-Base interactions energy: -740.379 where: short stacking energy: -319.296 Base-Backbone interact. energy: -3.134 local terms energy: -311.927632 where: bonds (distance) C4'-P energy: -61.532 bonds (distance) P-C4' energy: -60.067 flat angles C4'-P-C4' energy: -65.933 flat angles P-C4'-P energy: -43.191 tors. eta vs tors. theta energy: -81.204 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: 4, replica: 8 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1030.381697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.381697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.381697 (E_RNA) where: Base-Base interactions energy: -717.595 where: short stacking energy: -316.277 Base-Backbone interact. energy: 1.345 local terms energy: -314.132232 where: bonds (distance) C4'-P energy: -59.996 bonds (distance) P-C4' energy: -46.993 flat angles C4'-P-C4' energy: -68.439 flat angles P-C4'-P energy: -48.920 tors. eta vs tors. theta energy: -89.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1029.066839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.066839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.066839 (E_RNA) where: Base-Base interactions energy: -733.829 where: short stacking energy: -290.981 Base-Backbone interact. energy: -2.594 local terms energy: -292.644079 where: bonds (distance) C4'-P energy: -50.984 bonds (distance) P-C4' energy: -66.048 flat angles C4'-P-C4' energy: -58.126 flat angles P-C4'-P energy: -39.034 tors. eta vs tors. theta energy: -78.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -874.774676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.774676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.774676 (E_RNA) where: Base-Base interactions energy: -611.012 where: short stacking energy: -243.137 Base-Backbone interact. energy: -1.689 local terms energy: -262.074571 where: bonds (distance) C4'-P energy: -57.644 bonds (distance) P-C4' energy: -46.748 flat angles C4'-P-C4' energy: -66.789 flat angles P-C4'-P energy: -34.267 tors. eta vs tors. theta energy: -56.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -817.397356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.397356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.397356 (E_RNA) where: Base-Base interactions energy: -555.420 where: short stacking energy: -231.736 Base-Backbone interact. energy: 0.524 local terms energy: -262.501419 where: bonds (distance) C4'-P energy: -53.519 bonds (distance) P-C4' energy: -43.188 flat angles C4'-P-C4' energy: -62.495 flat angles P-C4'-P energy: -43.258 tors. eta vs tors. theta energy: -60.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -772.220705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.220705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.220705 (E_RNA) where: Base-Base interactions energy: -504.185 where: short stacking energy: -232.934 Base-Backbone interact. energy: -0.238 local terms energy: -267.797805 where: bonds (distance) C4'-P energy: -59.686 bonds (distance) P-C4' energy: -52.062 flat angles C4'-P-C4' energy: -68.886 flat angles P-C4'-P energy: -29.929 tors. eta vs tors. theta energy: -57.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -747.716911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.716911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.716911 (E_RNA) where: Base-Base interactions energy: -494.153 where: short stacking energy: -199.812 Base-Backbone interact. energy: -2.764 local terms energy: -250.799193 where: bonds (distance) C4'-P energy: -48.623 bonds (distance) P-C4' energy: -58.026 flat angles C4'-P-C4' energy: -53.860 flat angles P-C4'-P energy: -42.853 tors. eta vs tors. theta energy: -47.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -573.330908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.330908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.330908 (E_RNA) where: Base-Base interactions energy: -369.092 where: short stacking energy: -165.141 Base-Backbone interact. energy: -1.417 local terms energy: -202.822150 where: bonds (distance) C4'-P energy: -49.921 bonds (distance) P-C4' energy: -49.111 flat angles C4'-P-C4' energy: -51.365 flat angles P-C4'-P energy: -32.562 tors. eta vs tors. theta energy: -19.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1211.986980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.986980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.986980 (E_RNA) where: Base-Base interactions energy: -885.458 where: short stacking energy: -358.107 Base-Backbone interact. energy: 4.404 local terms energy: -330.933130 where: bonds (distance) C4'-P energy: -52.251 bonds (distance) P-C4' energy: -62.739 flat angles C4'-P-C4' energy: -73.553 flat angles P-C4'-P energy: -49.954 tors. eta vs tors. theta energy: -92.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1159.232117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.232117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.232117 (E_RNA) where: Base-Base interactions energy: -799.452 where: short stacking energy: -362.462 Base-Backbone interact. energy: -0.455 local terms energy: -359.325668 where: bonds (distance) C4'-P energy: -55.111 bonds (distance) P-C4' energy: -66.633 flat angles C4'-P-C4' energy: -74.313 flat angles P-C4'-P energy: -53.164 tors. eta vs tors. theta energy: -110.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1059.390481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.390481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.390481 (E_RNA) where: Base-Base interactions energy: -753.628 where: short stacking energy: -314.641 Base-Backbone interact. energy: -2.071 local terms energy: -303.691196 where: bonds (distance) C4'-P energy: -61.106 bonds (distance) P-C4' energy: -62.871 flat angles C4'-P-C4' energy: -57.569 flat angles P-C4'-P energy: -45.987 tors. eta vs tors. theta energy: -76.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1016.547959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.547959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.547959 (E_RNA) where: Base-Base interactions energy: -733.485 where: short stacking energy: -304.951 Base-Backbone interact. energy: -0.603 local terms energy: -282.460257 where: bonds (distance) C4'-P energy: -52.688 bonds (distance) P-C4' energy: -56.729 flat angles C4'-P-C4' energy: -60.629 flat angles P-C4'-P energy: -37.179 tors. eta vs tors. theta energy: -75.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1077.757519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.757519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.757519 (E_RNA) where: Base-Base interactions energy: -787.518 where: short stacking energy: -307.168 Base-Backbone interact. energy: -0.285 local terms energy: -289.954821 where: bonds (distance) C4'-P energy: -47.874 bonds (distance) P-C4' energy: -64.367 flat angles C4'-P-C4' energy: -66.237 flat angles P-C4'-P energy: -41.346 tors. eta vs tors. theta energy: -70.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -950.690798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.690798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.690798 (E_RNA) where: Base-Base interactions energy: -660.352 where: short stacking energy: -267.545 Base-Backbone interact. energy: -2.248 local terms energy: -288.090796 where: bonds (distance) C4'-P energy: -62.714 bonds (distance) P-C4' energy: -66.523 flat angles C4'-P-C4' energy: -65.978 flat angles P-C4'-P energy: -28.939 tors. eta vs tors. theta energy: -63.937 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: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -804.752951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.752951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.752951 (E_RNA) where: Base-Base interactions energy: -523.647 where: short stacking energy: -260.285 Base-Backbone interact. energy: 0.586 local terms energy: -281.691744 where: bonds (distance) C4'-P energy: -56.748 bonds (distance) P-C4' energy: -64.343 flat angles C4'-P-C4' energy: -52.743 flat angles P-C4'-P energy: -49.340 tors. eta vs tors. theta energy: -58.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -782.682351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.682351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.682351 (E_RNA) where: Base-Base interactions energy: -512.823 where: short stacking energy: -254.363 Base-Backbone interact. energy: -1.342 local terms energy: -268.518146 where: bonds (distance) C4'-P energy: -54.524 bonds (distance) P-C4' energy: -55.290 flat angles C4'-P-C4' energy: -65.612 flat angles P-C4'-P energy: -37.451 tors. eta vs tors. theta energy: -55.641 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: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -745.698401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.698401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.698401 (E_RNA) where: Base-Base interactions energy: -505.916 where: short stacking energy: -229.178 Base-Backbone interact. energy: 2.181 local terms energy: -241.963801 where: bonds (distance) C4'-P energy: -37.496 bonds (distance) P-C4' energy: -59.660 flat angles C4'-P-C4' energy: -54.918 flat angles P-C4'-P energy: -40.946 tors. eta vs tors. theta energy: -48.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -548.525566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.525566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.525566 (E_RNA) where: Base-Base interactions energy: -331.870 where: short stacking energy: -166.748 Base-Backbone interact. energy: -1.060 local terms energy: -215.594819 where: bonds (distance) C4'-P energy: -51.276 bonds (distance) P-C4' energy: -50.825 flat angles C4'-P-C4' energy: -52.865 flat angles P-C4'-P energy: -30.615 tors. eta vs tors. theta energy: -30.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1224.030365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.030365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.030365 (E_RNA) where: Base-Base interactions energy: -885.146 where: short stacking energy: -367.927 Base-Backbone interact. energy: 6.133 local terms energy: -345.016469 where: bonds (distance) C4'-P energy: -59.779 bonds (distance) P-C4' energy: -67.939 flat angles C4'-P-C4' energy: -75.541 flat angles P-C4'-P energy: -47.239 tors. eta vs tors. theta energy: -94.518 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: 4 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1157.875838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.875838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.875838 (E_RNA) where: Base-Base interactions energy: -797.545 where: short stacking energy: -370.415 Base-Backbone interact. energy: -0.850 local terms energy: -359.480085 where: bonds (distance) C4'-P energy: -60.503 bonds (distance) P-C4' energy: -63.977 flat angles C4'-P-C4' energy: -75.271 flat angles P-C4'-P energy: -50.874 tors. eta vs tors. theta energy: -108.855 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: 363 Temperature: 1.000000 Total energy: -1077.474554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.474554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.474554 (E_RNA) where: Base-Base interactions energy: -754.651 where: short stacking energy: -307.847 Base-Backbone interact. energy: -2.976 local terms energy: -319.847438 where: bonds (distance) C4'-P energy: -58.348 bonds (distance) P-C4' energy: -65.170 flat angles C4'-P-C4' energy: -73.929 flat angles P-C4'-P energy: -47.537 tors. eta vs tors. theta energy: -74.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1092.498745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.498745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.498745 (E_RNA) where: Base-Base interactions energy: -782.289 where: short stacking energy: -300.790 Base-Backbone interact. energy: -1.983 local terms energy: -308.226851 where: bonds (distance) C4'-P energy: -52.616 bonds (distance) P-C4' energy: -62.836 flat angles C4'-P-C4' energy: -73.339 flat angles P-C4'-P energy: -45.766 tors. eta vs tors. theta energy: -73.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -995.027683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.027683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.027683 (E_RNA) where: Base-Base interactions energy: -678.534 where: short stacking energy: -308.267 Base-Backbone interact. energy: -0.686 local terms energy: -315.808113 where: bonds (distance) C4'-P energy: -65.012 bonds (distance) P-C4' energy: -60.582 flat angles C4'-P-C4' energy: -66.960 flat angles P-C4'-P energy: -41.888 tors. eta vs tors. theta energy: -81.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -945.580833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.580833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.580833 (E_RNA) where: Base-Base interactions energy: -668.857 where: short stacking energy: -274.908 Base-Backbone interact. energy: 3.994 local terms energy: -280.717444 where: bonds (distance) C4'-P energy: -51.143 bonds (distance) P-C4' energy: -58.563 flat angles C4'-P-C4' energy: -58.045 flat angles P-C4'-P energy: -37.862 tors. eta vs tors. theta energy: -75.104 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: 7, replica: 5 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -825.707774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.707774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.707774 (E_RNA) where: Base-Base interactions energy: -559.041 where: short stacking energy: -259.718 Base-Backbone interact. energy: -1.880 local terms energy: -264.786926 where: bonds (distance) C4'-P energy: -58.450 bonds (distance) P-C4' energy: -62.244 flat angles C4'-P-C4' energy: -55.998 flat angles P-C4'-P energy: -35.934 tors. eta vs tors. theta energy: -52.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -771.269390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.269390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.269390 (E_RNA) where: Base-Base interactions energy: -506.973 where: short stacking energy: -227.343 Base-Backbone interact. energy: -2.218 local terms energy: -262.078262 where: bonds (distance) C4'-P energy: -51.475 bonds (distance) P-C4' energy: -51.430 flat angles C4'-P-C4' energy: -62.260 flat angles P-C4'-P energy: -34.172 tors. eta vs tors. theta energy: -62.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -726.404251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.404251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.404251 (E_RNA) where: Base-Base interactions energy: -465.077 where: short stacking energy: -217.118 Base-Backbone interact. energy: -2.298 local terms energy: -259.029128 where: bonds (distance) C4'-P energy: -53.356 bonds (distance) P-C4' energy: -52.220 flat angles C4'-P-C4' energy: -53.980 flat angles P-C4'-P energy: -40.111 tors. eta vs tors. theta energy: -59.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -552.137849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.137849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.137849 (E_RNA) where: Base-Base interactions energy: -342.990 where: short stacking energy: -148.561 Base-Backbone interact. energy: -0.841 local terms energy: -208.306747 where: bonds (distance) C4'-P energy: -55.732 bonds (distance) P-C4' energy: -48.893 flat angles C4'-P-C4' energy: -50.915 flat angles P-C4'-P energy: -41.414 tors. eta vs tors. theta energy: -11.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1221.446803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.446803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.446803 (E_RNA) where: Base-Base interactions energy: -871.387 where: short stacking energy: -354.259 Base-Backbone interact. energy: -1.741 local terms energy: -348.318453 where: bonds (distance) C4'-P energy: -61.079 bonds (distance) P-C4' energy: -68.981 flat angles C4'-P-C4' energy: -71.925 flat angles P-C4'-P energy: -50.067 tors. eta vs tors. theta energy: -96.266 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: 4 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1173.728019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.728019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.728019 (E_RNA) where: Base-Base interactions energy: -811.583 where: short stacking energy: -359.211 Base-Backbone interact. energy: -0.373 local terms energy: -361.772351 where: bonds (distance) C4'-P energy: -66.194 bonds (distance) P-C4' energy: -67.684 flat angles C4'-P-C4' energy: -77.686 flat angles P-C4'-P energy: -44.394 tors. eta vs tors. theta energy: -105.815 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: 3, replica: 1 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1091.296681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.296681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.296681 (E_RNA) where: Base-Base interactions energy: -771.951 where: short stacking energy: -292.377 Base-Backbone interact. energy: -1.549 local terms energy: -317.797486 where: bonds (distance) C4'-P energy: -56.893 bonds (distance) P-C4' energy: -62.770 flat angles C4'-P-C4' energy: -76.945 flat angles P-C4'-P energy: -49.524 tors. eta vs tors. theta energy: -71.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1032.210676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.210676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.210676 (E_RNA) where: Base-Base interactions energy: -716.753 where: short stacking energy: -310.019 Base-Backbone interact. energy: 0.325 local terms energy: -315.783283 where: bonds (distance) C4'-P energy: -58.346 bonds (distance) P-C4' energy: -74.781 flat angles C4'-P-C4' energy: -69.439 flat angles P-C4'-P energy: -37.712 tors. eta vs tors. theta energy: -75.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -993.467564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.467564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.467564 (E_RNA) where: Base-Base interactions energy: -678.009 where: short stacking energy: -302.271 Base-Backbone interact. energy: -1.737 local terms energy: -313.721758 where: bonds (distance) C4'-P energy: -57.612 bonds (distance) P-C4' energy: -56.639 flat angles C4'-P-C4' energy: -73.080 flat angles P-C4'-P energy: -45.649 tors. eta vs tors. theta energy: -80.742 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: 6 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -941.230691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.230691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.230691 (E_RNA) where: Base-Base interactions energy: -637.644 where: short stacking energy: -274.913 Base-Backbone interact. energy: -0.950 local terms energy: -302.636772 where: bonds (distance) C4'-P energy: -54.039 bonds (distance) P-C4' energy: -60.302 flat angles C4'-P-C4' energy: -66.741 flat angles P-C4'-P energy: -47.359 tors. eta vs tors. theta energy: -74.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -781.762128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.762128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.762128 (E_RNA) where: Base-Base interactions energy: -530.052 where: short stacking energy: -222.816 Base-Backbone interact. energy: -3.759 local terms energy: -247.951843 where: bonds (distance) C4'-P energy: -45.103 bonds (distance) P-C4' energy: -54.205 flat angles C4'-P-C4' energy: -64.208 flat angles P-C4'-P energy: -33.177 tors. eta vs tors. theta energy: -51.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -811.933282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.933282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.933282 (E_RNA) where: Base-Base interactions energy: -541.775 where: short stacking energy: -247.625 Base-Backbone interact. energy: -0.399 local terms energy: -269.760224 where: bonds (distance) C4'-P energy: -62.748 bonds (distance) P-C4' energy: -54.023 flat angles C4'-P-C4' energy: -61.516 flat angles P-C4'-P energy: -35.097 tors. eta vs tors. theta energy: -56.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -655.902536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.902536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.902536 (E_RNA) where: Base-Base interactions energy: -423.340 where: short stacking energy: -174.944 Base-Backbone interact. energy: 2.765 local terms energy: -235.327222 where: bonds (distance) C4'-P energy: -62.898 bonds (distance) P-C4' energy: -52.196 flat angles C4'-P-C4' energy: -47.796 flat angles P-C4'-P energy: -36.862 tors. eta vs tors. theta energy: -35.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -568.667165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.667165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.667165 (E_RNA) where: Base-Base interactions energy: -353.046 where: short stacking energy: -154.965 Base-Backbone interact. energy: -2.526 local terms energy: -213.095209 where: bonds (distance) C4'-P energy: -52.933 bonds (distance) P-C4' energy: -58.562 flat angles C4'-P-C4' energy: -50.857 flat angles P-C4'-P energy: -32.790 tors. eta vs tors. theta energy: -17.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1221.432401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.432401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.432401 (E_RNA) where: Base-Base interactions energy: -867.189 where: short stacking energy: -358.639 Base-Backbone interact. energy: -2.239 local terms energy: -352.004953 where: bonds (distance) C4'-P energy: -63.180 bonds (distance) P-C4' energy: -63.627 flat angles C4'-P-C4' energy: -75.373 flat angles P-C4'-P energy: -54.636 tors. eta vs tors. theta energy: -95.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1172.262291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.262291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.262291 (E_RNA) where: Base-Base interactions energy: -820.448 where: short stacking energy: -344.004 Base-Backbone interact. energy: -0.229 local terms energy: -351.585003 where: bonds (distance) C4'-P energy: -70.987 bonds (distance) P-C4' energy: -66.068 flat angles C4'-P-C4' energy: -71.160 flat angles P-C4'-P energy: -45.039 tors. eta vs tors. theta energy: -98.331 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: 1 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1118.938398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.938398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.938398 (E_RNA) where: Base-Base interactions energy: -788.818 where: short stacking energy: -322.373 Base-Backbone interact. energy: -2.215 local terms energy: -327.904940 where: bonds (distance) C4'-P energy: -69.352 bonds (distance) P-C4' energy: -65.198 flat angles C4'-P-C4' energy: -67.527 flat angles P-C4'-P energy: -42.130 tors. eta vs tors. theta energy: -83.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1047.688469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.688469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.688469 (E_RNA) where: Base-Base interactions energy: -737.452 where: short stacking energy: -318.309 Base-Backbone interact. energy: -0.826 local terms energy: -309.410362 where: bonds (distance) C4'-P energy: -61.895 bonds (distance) P-C4' energy: -55.327 flat angles C4'-P-C4' energy: -63.292 flat angles P-C4'-P energy: -49.725 tors. eta vs tors. theta energy: -79.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1007.528831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.528831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.528831 (E_RNA) where: Base-Base interactions energy: -686.372 where: short stacking energy: -297.936 Base-Backbone interact. energy: -0.845 local terms energy: -320.311056 where: bonds (distance) C4'-P energy: -56.993 bonds (distance) P-C4' energy: -60.156 flat angles C4'-P-C4' energy: -71.976 flat angles P-C4'-P energy: -50.828 tors. eta vs tors. theta energy: -80.358 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: 6 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -971.800893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.800893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.800893 (E_RNA) where: Base-Base interactions energy: -681.524 where: short stacking energy: -290.967 Base-Backbone interact. energy: -2.062 local terms energy: -288.215068 where: bonds (distance) C4'-P energy: -56.263 bonds (distance) P-C4' energy: -66.450 flat angles C4'-P-C4' energy: -60.703 flat angles P-C4'-P energy: -25.883 tors. eta vs tors. theta energy: -78.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -757.172679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.172679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.172679 (E_RNA) where: Base-Base interactions energy: -516.865 where: short stacking energy: -246.006 Base-Backbone interact. energy: -1.072 local terms energy: -239.235967 where: bonds (distance) C4'-P energy: -55.848 bonds (distance) P-C4' energy: -51.142 flat angles C4'-P-C4' energy: -45.899 flat angles P-C4'-P energy: -31.331 tors. eta vs tors. theta energy: -55.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -796.080561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.080561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.080561 (E_RNA) where: Base-Base interactions energy: -534.387 where: short stacking energy: -223.347 Base-Backbone interact. energy: -0.764 local terms energy: -260.929512 where: bonds (distance) C4'-P energy: -55.225 bonds (distance) P-C4' energy: -57.103 flat angles C4'-P-C4' energy: -61.459 flat angles P-C4'-P energy: -29.353 tors. eta vs tors. theta energy: -57.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -642.946187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.946187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.946187 (E_RNA) where: Base-Base interactions energy: -424.639 where: short stacking energy: -185.298 Base-Backbone interact. energy: -1.657 local terms energy: -216.650829 where: bonds (distance) C4'-P energy: -51.486 bonds (distance) P-C4' energy: -37.368 flat angles C4'-P-C4' energy: -54.316 flat angles P-C4'-P energy: -40.788 tors. eta vs tors. theta energy: -32.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -530.126886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.126886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.126886 (E_RNA) where: Base-Base interactions energy: -334.325 where: short stacking energy: -133.120 Base-Backbone interact. energy: 4.582 local terms energy: -200.384759 where: bonds (distance) C4'-P energy: -54.720 bonds (distance) P-C4' energy: -53.408 flat angles C4'-P-C4' energy: -44.965 flat angles P-C4'-P energy: -32.332 tors. eta vs tors. theta energy: -14.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1232.102483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.102483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.102483 (E_RNA) where: Base-Base interactions energy: -891.351 where: short stacking energy: -355.715 Base-Backbone interact. energy: 0.311 local terms energy: -341.062260 where: bonds (distance) C4'-P energy: -55.456 bonds (distance) P-C4' energy: -62.071 flat angles C4'-P-C4' energy: -77.080 flat angles P-C4'-P energy: -60.052 tors. eta vs tors. theta energy: -86.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1183.988862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.988862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.988862 (E_RNA) where: Base-Base interactions energy: -823.778 where: short stacking energy: -368.009 Base-Backbone interact. energy: -0.667 local terms energy: -359.544129 where: bonds (distance) C4'-P energy: -68.837 bonds (distance) P-C4' energy: -63.971 flat angles C4'-P-C4' energy: -72.230 flat angles P-C4'-P energy: -53.796 tors. eta vs tors. theta energy: -100.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1116.172917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.172917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.172917 (E_RNA) where: Base-Base interactions energy: -800.715 where: short stacking energy: -314.342 Base-Backbone interact. energy: -1.783 local terms energy: -313.674774 where: bonds (distance) C4'-P energy: -51.017 bonds (distance) P-C4' energy: -65.016 flat angles C4'-P-C4' energy: -63.834 flat angles P-C4'-P energy: -48.367 tors. eta vs tors. theta energy: -85.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1022.194687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.194687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.194687 (E_RNA) where: Base-Base interactions energy: -707.878 where: short stacking energy: -316.174 Base-Backbone interact. energy: -0.450 local terms energy: -313.866541 where: bonds (distance) C4'-P energy: -59.627 bonds (distance) P-C4' energy: -67.530 flat angles C4'-P-C4' energy: -65.218 flat angles P-C4'-P energy: -42.512 tors. eta vs tors. theta energy: -78.980 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: 8 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1037.774818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.774818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.774818 (E_RNA) where: Base-Base interactions energy: -730.126 where: short stacking energy: -311.027 Base-Backbone interact. energy: -0.166 local terms energy: -307.482589 where: bonds (distance) C4'-P energy: -56.621 bonds (distance) P-C4' energy: -57.710 flat angles C4'-P-C4' energy: -65.554 flat angles P-C4'-P energy: -43.491 tors. eta vs tors. theta energy: -84.107 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: 6, replica: 6 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -956.238728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.238728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.238728 (E_RNA) where: Base-Base interactions energy: -653.073 where: short stacking energy: -272.479 Base-Backbone interact. energy: -0.892 local terms energy: -302.273125 where: bonds (distance) C4'-P energy: -56.612 bonds (distance) P-C4' energy: -67.148 flat angles C4'-P-C4' energy: -68.740 flat angles P-C4'-P energy: -37.799 tors. eta vs tors. theta energy: -71.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -852.751067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.751067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.751067 (E_RNA) where: Base-Base interactions energy: -579.380 where: short stacking energy: -275.603 Base-Backbone interact. energy: 1.163 local terms energy: -274.533396 where: bonds (distance) C4'-P energy: -52.891 bonds (distance) P-C4' energy: -71.311 flat angles C4'-P-C4' energy: -58.139 flat angles P-C4'-P energy: -28.374 tors. eta vs tors. theta energy: -63.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -739.099095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.099095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.099095 (E_RNA) where: Base-Base interactions energy: -487.640 where: short stacking energy: -214.815 Base-Backbone interact. energy: -2.077 local terms energy: -249.381644 where: bonds (distance) C4'-P energy: -49.606 bonds (distance) P-C4' energy: -56.740 flat angles C4'-P-C4' energy: -56.725 flat angles P-C4'-P energy: -34.467 tors. eta vs tors. theta energy: -51.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -637.154736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.154736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.154736 (E_RNA) where: Base-Base interactions energy: -400.220 where: short stacking energy: -198.998 Base-Backbone interact. energy: 1.452 local terms energy: -238.387630 where: bonds (distance) C4'-P energy: -45.523 bonds (distance) P-C4' energy: -53.645 flat angles C4'-P-C4' energy: -51.807 flat angles P-C4'-P energy: -44.195 tors. eta vs tors. theta energy: -43.218 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: 10, replica: 3 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -538.632912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.632912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.632912 (E_RNA) where: Base-Base interactions energy: -344.879 where: short stacking energy: -156.948 Base-Backbone interact. energy: -1.380 local terms energy: -192.373832 where: bonds (distance) C4'-P energy: -45.070 bonds (distance) P-C4' energy: -55.217 flat angles C4'-P-C4' energy: -50.574 flat angles P-C4'-P energy: -30.040 tors. eta vs tors. theta energy: -11.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1194.220579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.220579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.220579 (E_RNA) where: Base-Base interactions energy: -858.632 where: short stacking energy: -338.545 Base-Backbone interact. energy: -4.135 local terms energy: -331.453673 where: bonds (distance) C4'-P energy: -55.689 bonds (distance) P-C4' energy: -64.928 flat angles C4'-P-C4' energy: -68.770 flat angles P-C4'-P energy: -55.050 tors. eta vs tors. theta energy: -87.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1169.479831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.479831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.479831 (E_RNA) where: Base-Base interactions energy: -820.988 where: short stacking energy: -363.168 Base-Backbone interact. energy: 0.111 local terms energy: -348.602655 where: bonds (distance) C4'-P energy: -63.975 bonds (distance) P-C4' energy: -60.969 flat angles C4'-P-C4' energy: -74.327 flat angles P-C4'-P energy: -48.059 tors. eta vs tors. theta energy: -101.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1098.853005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.853005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.853005 (E_RNA) where: Base-Base interactions energy: -795.435 where: short stacking energy: -326.975 Base-Backbone interact. energy: -1.704 local terms energy: -301.714011 where: bonds (distance) C4'-P energy: -57.586 bonds (distance) P-C4' energy: -59.052 flat angles C4'-P-C4' energy: -71.295 flat angles P-C4'-P energy: -40.793 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: 4, replica: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1013.735406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.735406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.735406 (E_RNA) where: Base-Base interactions energy: -705.779 where: short stacking energy: -302.380 Base-Backbone interact. energy: -1.198 local terms energy: -306.758425 where: bonds (distance) C4'-P energy: -47.070 bonds (distance) P-C4' energy: -61.440 flat angles C4'-P-C4' energy: -70.598 flat angles P-C4'-P energy: -45.222 tors. eta vs tors. theta energy: -82.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1017.331488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.331488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.331488 (E_RNA) where: Base-Base interactions energy: -700.646 where: short stacking energy: -321.957 Base-Backbone interact. energy: -0.656 local terms energy: -316.029686 where: bonds (distance) C4'-P energy: -51.391 bonds (distance) P-C4' energy: -66.466 flat angles C4'-P-C4' energy: -79.212 flat angles P-C4'-P energy: -36.454 tors. eta vs tors. theta energy: -82.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -913.141755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.141755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.141755 (E_RNA) where: Base-Base interactions energy: -653.364 where: short stacking energy: -255.940 Base-Backbone interact. energy: -0.831 local terms energy: -258.947051 where: bonds (distance) C4'-P energy: -61.484 bonds (distance) P-C4' energy: -56.664 flat angles C4'-P-C4' energy: -47.338 flat angles P-C4'-P energy: -35.254 tors. eta vs tors. theta energy: -58.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -886.705932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.705932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.705932 (E_RNA) where: Base-Base interactions energy: -610.689 where: short stacking energy: -264.692 Base-Backbone interact. energy: -2.205 local terms energy: -273.811582 where: bonds (distance) C4'-P energy: -58.848 bonds (distance) P-C4' energy: -58.955 flat angles C4'-P-C4' energy: -61.985 flat angles P-C4'-P energy: -35.613 tors. eta vs tors. theta energy: -58.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -758.808793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.808793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.808793 (E_RNA) where: Base-Base interactions energy: -508.557 where: short stacking energy: -217.683 Base-Backbone interact. energy: -0.831 local terms energy: -249.420371 where: bonds (distance) C4'-P energy: -52.012 bonds (distance) P-C4' energy: -69.184 flat angles C4'-P-C4' energy: -51.855 flat angles P-C4'-P energy: -31.198 tors. eta vs tors. theta energy: -45.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -635.553733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.553733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.553733 (E_RNA) where: Base-Base interactions energy: -395.701 where: short stacking energy: -195.937 Base-Backbone interact. energy: -1.952 local terms energy: -237.900916 where: bonds (distance) C4'-P energy: -51.521 bonds (distance) P-C4' energy: -58.274 flat angles C4'-P-C4' energy: -62.526 flat angles P-C4'-P energy: -34.095 tors. eta vs tors. theta energy: -31.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -581.300967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.300967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.300967 (E_RNA) where: Base-Base interactions energy: -381.740 where: short stacking energy: -175.127 Base-Backbone interact. energy: 1.034 local terms energy: -200.595119 where: bonds (distance) C4'-P energy: -38.255 bonds (distance) P-C4' energy: -60.267 flat angles C4'-P-C4' energy: -52.397 flat angles P-C4'-P energy: -28.810 tors. eta vs tors. theta energy: -20.866 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: 10 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1215.096695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.096695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.096695 (E_RNA) where: Base-Base interactions energy: -868.244 where: short stacking energy: -354.641 Base-Backbone interact. energy: -1.840 local terms energy: -345.012473 where: bonds (distance) C4'-P energy: -67.011 bonds (distance) P-C4' energy: -65.167 flat angles C4'-P-C4' energy: -73.649 flat angles P-C4'-P energy: -52.114 tors. eta vs tors. theta energy: -87.072 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: 4 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1171.879911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.879911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.879911 (E_RNA) where: Base-Base interactions energy: -827.149 where: short stacking energy: -364.135 Base-Backbone interact. energy: -0.532 local terms energy: -344.197999 where: bonds (distance) C4'-P energy: -61.488 bonds (distance) P-C4' energy: -54.056 flat angles C4'-P-C4' energy: -77.080 flat angles P-C4'-P energy: -44.492 tors. eta vs tors. theta energy: -107.082 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: 1 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1101.147009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.147009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.147009 (E_RNA) where: Base-Base interactions energy: -811.588 where: short stacking energy: -311.210 Base-Backbone interact. energy: 1.733 local terms energy: -291.292848 where: bonds (distance) C4'-P energy: -59.193 bonds (distance) P-C4' energy: -54.071 flat angles C4'-P-C4' energy: -67.962 flat angles P-C4'-P energy: -40.767 tors. eta vs tors. theta energy: -69.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1016.435792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.435792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.435792 (E_RNA) where: Base-Base interactions energy: -716.068 where: short stacking energy: -313.280 Base-Backbone interact. energy: -2.105 local terms energy: -298.262821 where: bonds (distance) C4'-P energy: -52.368 bonds (distance) P-C4' energy: -66.267 flat angles C4'-P-C4' energy: -64.807 flat angles P-C4'-P energy: -34.812 tors. eta vs tors. theta energy: -80.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -992.759156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.759156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.759156 (E_RNA) where: Base-Base interactions energy: -681.620 where: short stacking energy: -296.946 Base-Backbone interact. energy: -1.246 local terms energy: -309.893133 where: bonds (distance) C4'-P energy: -53.958 bonds (distance) P-C4' energy: -64.778 flat angles C4'-P-C4' energy: -72.735 flat angles P-C4'-P energy: -45.006 tors. eta vs tors. theta energy: -73.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -907.523058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.523058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.523058 (E_RNA) where: Base-Base interactions energy: -619.702 where: short stacking energy: -266.464 Base-Backbone interact. energy: -0.421 local terms energy: -287.400859 where: bonds (distance) C4'-P energy: -53.478 bonds (distance) P-C4' energy: -60.024 flat angles C4'-P-C4' energy: -67.813 flat angles P-C4'-P energy: -39.627 tors. eta vs tors. theta energy: -66.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -861.934532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.934532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.934532 (E_RNA) where: Base-Base interactions energy: -588.769 where: short stacking energy: -253.590 Base-Backbone interact. energy: -0.774 local terms energy: -272.391937 where: bonds (distance) C4'-P energy: -53.524 bonds (distance) P-C4' energy: -66.683 flat angles C4'-P-C4' energy: -57.019 flat angles P-C4'-P energy: -39.532 tors. eta vs tors. theta energy: -55.633 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: 7 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -765.912871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.912871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.912871 (E_RNA) where: Base-Base interactions energy: -505.174 where: short stacking energy: -213.322 Base-Backbone interact. energy: 0.437 local terms energy: -261.175740 where: bonds (distance) C4'-P energy: -57.887 bonds (distance) P-C4' energy: -60.895 flat angles C4'-P-C4' energy: -56.867 flat angles P-C4'-P energy: -39.941 tors. eta vs tors. theta energy: -45.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -640.294840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.294840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.294840 (E_RNA) where: Base-Base interactions energy: -415.286 where: short stacking energy: -185.200 Base-Backbone interact. energy: 1.291 local terms energy: -226.299711 where: bonds (distance) C4'-P energy: -63.157 bonds (distance) P-C4' energy: -54.134 flat angles C4'-P-C4' energy: -47.376 flat angles P-C4'-P energy: -26.734 tors. eta vs tors. theta energy: -34.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -609.201736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.201736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.201736 (E_RNA) where: Base-Base interactions energy: -381.294 where: short stacking energy: -182.538 Base-Backbone interact. energy: 0.883 local terms energy: -228.791282 where: bonds (distance) C4'-P energy: -56.696 bonds (distance) P-C4' energy: -51.459 flat angles C4'-P-C4' energy: -53.181 flat angles P-C4'-P energy: -38.197 tors. eta vs tors. theta energy: -29.258 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: 10 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1219.224762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.224762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.224762 (E_RNA) where: Base-Base interactions energy: -869.465 where: short stacking energy: -352.287 Base-Backbone interact. energy: -3.159 local terms energy: -346.601146 where: bonds (distance) C4'-P energy: -63.465 bonds (distance) P-C4' energy: -66.834 flat angles C4'-P-C4' energy: -66.964 flat angles P-C4'-P energy: -55.183 tors. eta vs tors. theta energy: -94.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1184.018622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.018622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.018622 (E_RNA) where: Base-Base interactions energy: -821.713 where: short stacking energy: -368.002 Base-Backbone interact. energy: -0.611 local terms energy: -361.694239 where: bonds (distance) C4'-P energy: -62.635 bonds (distance) P-C4' energy: -64.346 flat angles C4'-P-C4' energy: -74.852 flat angles P-C4'-P energy: -54.734 tors. eta vs tors. theta energy: -105.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1081.585867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.585867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.585867 (E_RNA) where: Base-Base interactions energy: -764.081 where: short stacking energy: -313.286 Base-Backbone interact. energy: -1.626 local terms energy: -315.879183 where: bonds (distance) C4'-P energy: -55.950 bonds (distance) P-C4' energy: -66.534 flat angles C4'-P-C4' energy: -59.172 flat angles P-C4'-P energy: -45.832 tors. eta vs tors. theta energy: -88.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1050.112827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.112827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.112827 (E_RNA) where: Base-Base interactions energy: -734.235 where: short stacking energy: -329.156 Base-Backbone interact. energy: -0.713 local terms energy: -315.165267 where: bonds (distance) C4'-P energy: -57.979 bonds (distance) P-C4' energy: -58.113 flat angles C4'-P-C4' energy: -58.056 flat angles P-C4'-P energy: -50.727 tors. eta vs tors. theta energy: -90.290 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: 8 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -985.061614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.061614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.061614 (E_RNA) where: Base-Base interactions energy: -681.419 where: short stacking energy: -289.794 Base-Backbone interact. energy: -0.990 local terms energy: -302.652664 where: bonds (distance) C4'-P energy: -60.861 bonds (distance) P-C4' energy: -57.823 flat angles C4'-P-C4' energy: -76.016 flat angles P-C4'-P energy: -43.420 tors. eta vs tors. theta energy: -64.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -960.903671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.903671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.903671 (E_RNA) where: Base-Base interactions energy: -658.015 where: short stacking energy: -281.455 Base-Backbone interact. energy: -3.295 local terms energy: -299.593662 where: bonds (distance) C4'-P energy: -63.641 bonds (distance) P-C4' energy: -60.360 flat angles C4'-P-C4' energy: -64.534 flat angles P-C4'-P energy: -46.094 tors. eta vs tors. theta energy: -64.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -871.441048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.441048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.441048 (E_RNA) where: Base-Base interactions energy: -593.272 where: short stacking energy: -242.698 Base-Backbone interact. energy: -0.953 local terms energy: -277.216441 where: bonds (distance) C4'-P energy: -60.211 bonds (distance) P-C4' energy: -57.702 flat angles C4'-P-C4' energy: -53.591 flat angles P-C4'-P energy: -44.460 tors. eta vs tors. theta energy: -61.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -781.836122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.836122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.836122 (E_RNA) where: Base-Base interactions energy: -523.810 where: short stacking energy: -254.781 Base-Backbone interact. energy: -1.849 local terms energy: -256.176332 where: bonds (distance) C4'-P energy: -50.124 bonds (distance) P-C4' energy: -50.870 flat angles C4'-P-C4' energy: -49.891 flat angles P-C4'-P energy: -38.169 tors. eta vs tors. theta energy: -67.122 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: 369 Temperature: 1.300000 Total energy: -634.004553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.004553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.004553 (E_RNA) where: Base-Base interactions energy: -396.647 where: short stacking energy: -187.290 Base-Backbone interact. energy: 0.311 local terms energy: -237.668889 where: bonds (distance) C4'-P energy: -51.381 bonds (distance) P-C4' energy: -57.586 flat angles C4'-P-C4' energy: -56.154 flat angles P-C4'-P energy: -32.762 tors. eta vs tors. theta energy: -39.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -544.966561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.966561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.966561 (E_RNA) where: Base-Base interactions energy: -331.263 where: short stacking energy: -169.406 Base-Backbone interact. energy: -0.739 local terms energy: -212.964671 where: bonds (distance) C4'-P energy: -53.622 bonds (distance) P-C4' energy: -52.236 flat angles C4'-P-C4' energy: -46.483 flat angles P-C4'-P energy: -33.549 tors. eta vs tors. theta energy: -27.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1204.640524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.640524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.640524 (E_RNA) where: Base-Base interactions energy: -851.708 where: short stacking energy: -351.548 Base-Backbone interact. energy: -1.230 local terms energy: -351.703254 where: bonds (distance) C4'-P energy: -65.770 bonds (distance) P-C4' energy: -66.632 flat angles C4'-P-C4' energy: -78.944 flat angles P-C4'-P energy: -47.407 tors. eta vs tors. theta energy: -92.950 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: 4 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1171.265950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.265950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.265950 (E_RNA) where: Base-Base interactions energy: -833.237 where: short stacking energy: -358.355 Base-Backbone interact. energy: -1.296 local terms energy: -336.733221 where: bonds (distance) C4'-P energy: -55.925 bonds (distance) P-C4' energy: -61.789 flat angles C4'-P-C4' energy: -73.662 flat angles P-C4'-P energy: -46.165 tors. eta vs tors. theta energy: -99.192 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: 1 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1116.762352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.762352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.762352 (E_RNA) where: Base-Base interactions energy: -790.942 where: short stacking energy: -304.641 Base-Backbone interact. energy: -2.884 local terms energy: -322.936247 where: bonds (distance) C4'-P energy: -66.515 bonds (distance) P-C4' energy: -63.905 flat angles C4'-P-C4' energy: -64.470 flat angles P-C4'-P energy: -51.674 tors. eta vs tors. theta energy: -76.371 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: 9 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1021.412158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.412158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.412158 (E_RNA) where: Base-Base interactions energy: -722.595 where: short stacking energy: -320.446 Base-Backbone interact. energy: -1.382 local terms energy: -297.435046 where: bonds (distance) C4'-P energy: -49.880 bonds (distance) P-C4' energy: -66.844 flat angles C4'-P-C4' energy: -62.616 flat angles P-C4'-P energy: -35.346 tors. eta vs tors. theta energy: -82.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -976.689749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.689749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.689749 (E_RNA) where: Base-Base interactions energy: -686.399 where: short stacking energy: -311.749 Base-Backbone interact. energy: -0.721 local terms energy: -289.569197 where: bonds (distance) C4'-P energy: -53.648 bonds (distance) P-C4' energy: -40.555 flat angles C4'-P-C4' energy: -73.100 flat angles P-C4'-P energy: -44.380 tors. eta vs tors. theta energy: -77.886 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: 6 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -938.046811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.046811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.046811 (E_RNA) where: Base-Base interactions energy: -653.059 where: short stacking energy: -295.087 Base-Backbone interact. energy: -1.760 local terms energy: -283.227028 where: bonds (distance) C4'-P energy: -57.585 bonds (distance) P-C4' energy: -61.790 flat angles C4'-P-C4' energy: -58.056 flat angles P-C4'-P energy: -34.861 tors. eta vs tors. theta energy: -70.934 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: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -895.172083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.172083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.172083 (E_RNA) where: Base-Base interactions energy: -634.158 where: short stacking energy: -280.918 Base-Backbone interact. energy: -0.469 local terms energy: -260.545171 where: bonds (distance) C4'-P energy: -53.061 bonds (distance) P-C4' energy: -44.859 flat angles C4'-P-C4' energy: -58.385 flat angles P-C4'-P energy: -40.872 tors. eta vs tors. theta energy: -63.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -824.583166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.583166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.583166 (E_RNA) where: Base-Base interactions energy: -551.531 where: short stacking energy: -256.512 Base-Backbone interact. energy: -2.815 local terms energy: -270.237200 where: bonds (distance) C4'-P energy: -50.001 bonds (distance) P-C4' energy: -49.998 flat angles C4'-P-C4' energy: -67.704 flat angles P-C4'-P energy: -41.502 tors. eta vs tors. theta energy: -61.033 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: 370 Temperature: 1.300000 Total energy: -591.526125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.526125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.526125 (E_RNA) where: Base-Base interactions energy: -388.272 where: short stacking energy: -179.939 Base-Backbone interact. energy: 2.700 local terms energy: -205.954257 where: bonds (distance) C4'-P energy: -49.065 bonds (distance) P-C4' energy: -53.859 flat angles C4'-P-C4' energy: -50.712 flat angles P-C4'-P energy: -24.607 tors. eta vs tors. theta energy: -27.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -543.725584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.725584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.725584 (E_RNA) where: Base-Base interactions energy: -334.816 where: short stacking energy: -168.719 Base-Backbone interact. energy: 6.397 local terms energy: -215.306845 where: bonds (distance) C4'-P energy: -55.437 bonds (distance) P-C4' energy: -58.233 flat angles C4'-P-C4' energy: -52.964 flat angles P-C4'-P energy: -30.810 tors. eta vs tors. theta energy: -17.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1204.214197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.214197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.214197 (E_RNA) where: Base-Base interactions energy: -864.299 where: short stacking energy: -358.504 Base-Backbone interact. energy: -2.849 local terms energy: -337.066607 where: bonds (distance) C4'-P energy: -57.970 bonds (distance) P-C4' energy: -63.131 flat angles C4'-P-C4' energy: -76.033 flat angles P-C4'-P energy: -46.889 tors. eta vs tors. theta energy: -93.044 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: 371 Temperature: 0.950000 Total energy: -1149.084045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.084045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.084045 (E_RNA) where: Base-Base interactions energy: -806.240 where: short stacking energy: -354.662 Base-Backbone interact. energy: -0.677 local terms energy: -342.167641 where: bonds (distance) C4'-P energy: -61.716 bonds (distance) P-C4' energy: -62.530 flat angles C4'-P-C4' energy: -70.102 flat angles P-C4'-P energy: -50.868 tors. eta vs tors. theta energy: -96.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1105.230200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.230200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.230200 (E_RNA) where: Base-Base interactions energy: -782.331 where: short stacking energy: -312.685 Base-Backbone interact. energy: -2.996 local terms energy: -319.903804 where: bonds (distance) C4'-P energy: -55.378 bonds (distance) P-C4' energy: -67.927 flat angles C4'-P-C4' energy: -73.959 flat angles P-C4'-P energy: -45.265 tors. eta vs tors. theta energy: -77.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1007.889316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.889316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.889316 (E_RNA) where: Base-Base interactions energy: -694.980 where: short stacking energy: -301.820 Base-Backbone interact. energy: -0.544 local terms energy: -312.364691 where: bonds (distance) C4'-P energy: -64.421 bonds (distance) P-C4' energy: -60.038 flat angles C4'-P-C4' energy: -66.671 flat angles P-C4'-P energy: -43.200 tors. eta vs tors. theta energy: -78.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1006.548349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.548349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.548349 (E_RNA) where: Base-Base interactions energy: -703.342 where: short stacking energy: -322.330 Base-Backbone interact. energy: -0.690 local terms energy: -302.516989 where: bonds (distance) C4'-P energy: -52.609 bonds (distance) P-C4' energy: -52.347 flat angles C4'-P-C4' energy: -67.738 flat angles P-C4'-P energy: -47.979 tors. eta vs tors. theta energy: -81.844 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: 6, replica: 6 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -951.170976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.170976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.170976 (E_RNA) where: Base-Base interactions energy: -657.327 where: short stacking energy: -293.754 Base-Backbone interact. energy: -1.935 local terms energy: -291.909132 where: bonds (distance) C4'-P energy: -54.386 bonds (distance) P-C4' energy: -61.708 flat angles C4'-P-C4' energy: -62.618 flat angles P-C4'-P energy: -48.013 tors. eta vs tors. theta energy: -65.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -915.037468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.037468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.037468 (E_RNA) where: Base-Base interactions energy: -629.547 where: short stacking energy: -276.386 Base-Backbone interact. energy: -0.265 local terms energy: -285.225613 where: bonds (distance) C4'-P energy: -62.391 bonds (distance) P-C4' energy: -49.949 flat angles C4'-P-C4' energy: -59.036 flat angles P-C4'-P energy: -43.170 tors. eta vs tors. theta energy: -70.679 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: 7 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -765.059929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.059929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.059929 (E_RNA) where: Base-Base interactions energy: -529.148 where: short stacking energy: -250.268 Base-Backbone interact. energy: -2.226 local terms energy: -233.685184 where: bonds (distance) C4'-P energy: -43.973 bonds (distance) P-C4' energy: -41.946 flat angles C4'-P-C4' energy: -49.083 flat angles P-C4'-P energy: -37.708 tors. eta vs tors. theta energy: -60.976 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: 371 Temperature: 1.300000 Total energy: -563.309710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.309710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.309710 (E_RNA) where: Base-Base interactions energy: -346.516 where: short stacking energy: -166.098 Base-Backbone interact. energy: -0.870 local terms energy: -215.924317 where: bonds (distance) C4'-P energy: -50.388 bonds (distance) P-C4' energy: -60.903 flat angles C4'-P-C4' energy: -53.355 flat angles P-C4'-P energy: -34.460 tors. eta vs tors. theta energy: -16.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -598.158423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.158423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.158423 (E_RNA) where: Base-Base interactions energy: -386.483 where: short stacking energy: -185.610 Base-Backbone interact. energy: -0.701 local terms energy: -210.974239 where: bonds (distance) C4'-P energy: -55.353 bonds (distance) P-C4' energy: -60.214 flat angles C4'-P-C4' energy: -51.829 flat angles P-C4'-P energy: -22.287 tors. eta vs tors. theta energy: -21.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1197.995037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.995037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.995037 (E_RNA) where: Base-Base interactions energy: -854.378 where: short stacking energy: -342.052 Base-Backbone interact. energy: -1.791 local terms energy: -341.826187 where: bonds (distance) C4'-P energy: -65.429 bonds (distance) P-C4' energy: -66.335 flat angles C4'-P-C4' energy: -71.288 flat angles P-C4'-P energy: -52.269 tors. eta vs tors. theta energy: -86.505 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: 4 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1163.094608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.094608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.094608 (E_RNA) where: Base-Base interactions energy: -817.967 where: short stacking energy: -349.586 Base-Backbone interact. energy: -1.373 local terms energy: -343.753971 where: bonds (distance) C4'-P energy: -56.826 bonds (distance) P-C4' energy: -62.784 flat angles C4'-P-C4' energy: -70.714 flat angles P-C4'-P energy: -55.328 tors. eta vs tors. theta energy: -98.101 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: 1 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1077.995890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.995890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.995890 (E_RNA) where: Base-Base interactions energy: -767.824 where: short stacking energy: -320.576 Base-Backbone interact. energy: -2.419 local terms energy: -307.753189 where: bonds (distance) C4'-P energy: -53.985 bonds (distance) P-C4' energy: -56.469 flat angles C4'-P-C4' energy: -71.754 flat angles P-C4'-P energy: -40.291 tors. eta vs tors. theta energy: -85.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1022.400498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.400498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.400498 (E_RNA) where: Base-Base interactions energy: -695.342 where: short stacking energy: -293.713 Base-Backbone interact. energy: -1.307 local terms energy: -325.751627 where: bonds (distance) C4'-P energy: -69.290 bonds (distance) P-C4' energy: -61.566 flat angles C4'-P-C4' energy: -74.367 flat angles P-C4'-P energy: -45.392 tors. eta vs tors. theta energy: -75.136 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: 6 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -950.440360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.440360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.440360 (E_RNA) where: Base-Base interactions energy: -680.241 where: short stacking energy: -302.071 Base-Backbone interact. energy: 1.747 local terms energy: -271.947168 where: bonds (distance) C4'-P energy: -60.049 bonds (distance) P-C4' energy: -47.828 flat angles C4'-P-C4' energy: -59.725 flat angles P-C4'-P energy: -31.775 tors. eta vs tors. theta energy: -72.571 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: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -967.074241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.074241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.074241 (E_RNA) where: Base-Base interactions energy: -671.760 where: short stacking energy: -269.222 Base-Backbone interact. energy: -1.227 local terms energy: -294.087699 where: bonds (distance) C4'-P energy: -50.249 bonds (distance) P-C4' energy: -72.568 flat angles C4'-P-C4' energy: -60.492 flat angles P-C4'-P energy: -43.882 tors. eta vs tors. theta energy: -66.896 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: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -907.952903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.952903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.952903 (E_RNA) where: Base-Base interactions energy: -631.373 where: short stacking energy: -279.304 Base-Backbone interact. energy: -0.709 local terms energy: -275.870840 where: bonds (distance) C4'-P energy: -56.287 bonds (distance) P-C4' energy: -54.086 flat angles C4'-P-C4' energy: -53.026 flat angles P-C4'-P energy: -39.027 tors. eta vs tors. theta energy: -73.445 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: 7 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -786.055475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.055475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.055475 (E_RNA) where: Base-Base interactions energy: -525.237 where: short stacking energy: -252.094 Base-Backbone interact. energy: -1.527 local terms energy: -259.291495 where: bonds (distance) C4'-P energy: -59.568 bonds (distance) P-C4' energy: -34.387 flat angles C4'-P-C4' energy: -61.988 flat angles P-C4'-P energy: -38.693 tors. eta vs tors. theta energy: -64.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -615.762201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.762201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.762201 (E_RNA) where: Base-Base interactions energy: -380.270 where: short stacking energy: -167.781 Base-Backbone interact. energy: 0.473 local terms energy: -235.965092 where: bonds (distance) C4'-P energy: -57.589 bonds (distance) P-C4' energy: -49.204 flat angles C4'-P-C4' energy: -62.097 flat angles P-C4'-P energy: -33.361 tors. eta vs tors. theta energy: -33.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -529.822449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.822449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.822449 (E_RNA) where: Base-Base interactions energy: -338.772 where: short stacking energy: -159.161 Base-Backbone interact. energy: -2.179 local terms energy: -188.870989 where: bonds (distance) C4'-P energy: -50.053 bonds (distance) P-C4' energy: -55.017 flat angles C4'-P-C4' energy: -47.075 flat angles P-C4'-P energy: -26.477 tors. eta vs tors. theta energy: -10.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1202.072845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.072845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.072845 (E_RNA) where: Base-Base interactions energy: -862.865 where: short stacking energy: -348.169 Base-Backbone interact. energy: -1.443 local terms energy: -337.765592 where: bonds (distance) C4'-P energy: -63.906 bonds (distance) P-C4' energy: -64.064 flat angles C4'-P-C4' energy: -62.433 flat angles P-C4'-P energy: -54.554 tors. eta vs tors. theta energy: -92.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1155.951786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.951786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.951786 (E_RNA) where: Base-Base interactions energy: -803.261 where: short stacking energy: -343.809 Base-Backbone interact. energy: -0.545 local terms energy: -352.146276 where: bonds (distance) C4'-P energy: -58.984 bonds (distance) P-C4' energy: -64.782 flat angles C4'-P-C4' energy: -78.747 flat angles P-C4'-P energy: -50.455 tors. eta vs tors. theta energy: -99.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1103.894733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.894733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.894733 (E_RNA) where: Base-Base interactions energy: -779.822 where: short stacking energy: -305.582 Base-Backbone interact. energy: 2.234 local terms energy: -326.306562 where: bonds (distance) C4'-P energy: -60.653 bonds (distance) P-C4' energy: -68.552 flat angles C4'-P-C4' energy: -70.116 flat angles P-C4'-P energy: -43.398 tors. eta vs tors. theta energy: -83.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -973.782474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.782474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.782474 (E_RNA) where: Base-Base interactions energy: -677.082 where: short stacking energy: -291.149 Base-Backbone interact. energy: -2.347 local terms energy: -294.353604 where: bonds (distance) C4'-P energy: -52.515 bonds (distance) P-C4' energy: -60.348 flat angles C4'-P-C4' energy: -66.475 flat angles P-C4'-P energy: -41.560 tors. eta vs tors. theta energy: -73.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -994.120201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.120201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.120201 (E_RNA) where: Base-Base interactions energy: -690.607 where: short stacking energy: -284.969 Base-Backbone interact. energy: 0.419 local terms energy: -303.932628 where: bonds (distance) C4'-P energy: -58.122 bonds (distance) P-C4' energy: -55.637 flat angles C4'-P-C4' energy: -61.644 flat angles P-C4'-P energy: -49.142 tors. eta vs tors. theta energy: -79.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -930.227953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.227953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.227953 (E_RNA) where: Base-Base interactions energy: -646.594 where: short stacking energy: -287.321 Base-Backbone interact. energy: -2.015 local terms energy: -281.618334 where: bonds (distance) C4'-P energy: -51.351 bonds (distance) P-C4' energy: -59.210 flat angles C4'-P-C4' energy: -57.284 flat angles P-C4'-P energy: -44.981 tors. eta vs tors. theta energy: -68.792 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: 8 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -939.992289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.992289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.992289 (E_RNA) where: Base-Base interactions energy: -648.139 where: short stacking energy: -279.152 Base-Backbone interact. energy: 2.849 local terms energy: -294.701859 where: bonds (distance) C4'-P energy: -65.799 bonds (distance) P-C4' energy: -60.091 flat angles C4'-P-C4' energy: -69.485 flat angles P-C4'-P energy: -37.359 tors. eta vs tors. theta energy: -61.968 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: 7 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -819.954613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.954613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.954613 (E_RNA) where: Base-Base interactions energy: -575.289 where: short stacking energy: -265.240 Base-Backbone interact. energy: -0.400 local terms energy: -244.265949 where: bonds (distance) C4'-P energy: -41.203 bonds (distance) P-C4' energy: -53.306 flat angles C4'-P-C4' energy: -59.895 flat angles P-C4'-P energy: -37.050 tors. eta vs tors. theta energy: -52.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -657.291859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.291859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.291859 (E_RNA) where: Base-Base interactions energy: -411.021 where: short stacking energy: -193.388 Base-Backbone interact. energy: 0.600 local terms energy: -246.871294 where: bonds (distance) C4'-P energy: -64.028 bonds (distance) P-C4' energy: -58.479 flat angles C4'-P-C4' energy: -55.978 flat angles P-C4'-P energy: -34.021 tors. eta vs tors. theta energy: -34.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -610.386882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.386882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.386882 (E_RNA) where: Base-Base interactions energy: -400.642 where: short stacking energy: -165.827 Base-Backbone interact. energy: -1.939 local terms energy: -207.805742 where: bonds (distance) C4'-P energy: -56.095 bonds (distance) P-C4' energy: -50.100 flat angles C4'-P-C4' energy: -53.346 flat angles P-C4'-P energy: -25.083 tors. eta vs tors. theta energy: -23.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1199.978487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.978487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.978487 (E_RNA) where: Base-Base interactions energy: -866.013 where: short stacking energy: -354.232 Base-Backbone interact. energy: -2.025 local terms energy: -331.940282 where: bonds (distance) C4'-P energy: -61.655 bonds (distance) P-C4' energy: -63.393 flat angles C4'-P-C4' energy: -66.371 flat angles P-C4'-P energy: -55.573 tors. eta vs tors. theta energy: -84.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1155.941360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.941360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.941360 (E_RNA) where: Base-Base interactions energy: -804.778 where: short stacking energy: -345.735 Base-Backbone interact. energy: -0.380 local terms energy: -350.782890 where: bonds (distance) C4'-P energy: -67.283 bonds (distance) P-C4' energy: -66.379 flat angles C4'-P-C4' energy: -72.171 flat angles P-C4'-P energy: -48.283 tors. eta vs tors. theta energy: -96.667 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: 1 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1100.662785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.662785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.662785 (E_RNA) where: Base-Base interactions energy: -784.336 where: short stacking energy: -326.691 Base-Backbone interact. energy: -2.633 local terms energy: -313.693367 where: bonds (distance) C4'-P energy: -60.203 bonds (distance) P-C4' energy: -53.936 flat angles C4'-P-C4' energy: -64.289 flat angles P-C4'-P energy: -52.774 tors. eta vs tors. theta energy: -82.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -986.473611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.473611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.473611 (E_RNA) where: Base-Base interactions energy: -692.876 where: short stacking energy: -274.955 Base-Backbone interact. energy: -0.886 local terms energy: -292.711775 where: bonds (distance) C4'-P energy: -60.990 bonds (distance) P-C4' energy: -62.082 flat angles C4'-P-C4' energy: -60.487 flat angles P-C4'-P energy: -43.708 tors. eta vs tors. theta energy: -65.444 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: 9 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -961.864737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.864737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.864737 (E_RNA) where: Base-Base interactions energy: -684.750 where: short stacking energy: -292.215 Base-Backbone interact. energy: -0.483 local terms energy: -276.632042 where: bonds (distance) C4'-P energy: -55.772 bonds (distance) P-C4' energy: -60.590 flat angles C4'-P-C4' energy: -57.765 flat angles P-C4'-P energy: -36.599 tors. eta vs tors. theta energy: -65.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -944.299918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.299918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.299918 (E_RNA) where: Base-Base interactions energy: -658.296 where: short stacking energy: -288.752 Base-Backbone interact. energy: -0.584 local terms energy: -285.419629 where: bonds (distance) C4'-P energy: -60.415 bonds (distance) P-C4' energy: -53.538 flat angles C4'-P-C4' energy: -59.130 flat angles P-C4'-P energy: -37.303 tors. eta vs tors. theta energy: -75.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -941.201684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.201684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.201684 (E_RNA) where: Base-Base interactions energy: -661.011 where: short stacking energy: -292.210 Base-Backbone interact. energy: -0.805 local terms energy: -279.386051 where: bonds (distance) C4'-P energy: -47.443 bonds (distance) P-C4' energy: -51.284 flat angles C4'-P-C4' energy: -57.172 flat angles P-C4'-P energy: -38.705 tors. eta vs tors. theta energy: -84.781 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: 7 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -765.273293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.273293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.273293 (E_RNA) where: Base-Base interactions energy: -511.827 where: short stacking energy: -218.167 Base-Backbone interact. energy: -0.931 local terms energy: -252.515460 where: bonds (distance) C4'-P energy: -53.622 bonds (distance) P-C4' energy: -53.321 flat angles C4'-P-C4' energy: -54.679 flat angles P-C4'-P energy: -36.639 tors. eta vs tors. theta energy: -54.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -654.565611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.565611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.565611 (E_RNA) where: Base-Base interactions energy: -425.294 where: short stacking energy: -224.587 Base-Backbone interact. energy: 1.580 local terms energy: -230.851771 where: bonds (distance) C4'-P energy: -56.351 bonds (distance) P-C4' energy: -50.595 flat angles C4'-P-C4' energy: -57.618 flat angles P-C4'-P energy: -22.975 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: 374 Temperature: 1.350000 Total energy: -592.307414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.307414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.307414 (E_RNA) where: Base-Base interactions energy: -378.999 where: short stacking energy: -174.150 Base-Backbone interact. energy: 1.843 local terms energy: -215.151171 where: bonds (distance) C4'-P energy: -59.977 bonds (distance) P-C4' energy: -62.575 flat angles C4'-P-C4' energy: -47.087 flat angles P-C4'-P energy: -16.876 tors. eta vs tors. theta energy: -28.636 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: 10 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1190.643611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.643611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.643611 (E_RNA) where: Base-Base interactions energy: -853.742 where: short stacking energy: -352.360 Base-Backbone interact. energy: -0.401 local terms energy: -336.500343 where: bonds (distance) C4'-P energy: -70.552 bonds (distance) P-C4' energy: -57.909 flat angles C4'-P-C4' energy: -65.463 flat angles P-C4'-P energy: -55.029 tors. eta vs tors. theta energy: -87.548 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: 4 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1153.051653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.051653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.051653 (E_RNA) where: Base-Base interactions energy: -817.432 where: short stacking energy: -350.173 Base-Backbone interact. energy: -1.071 local terms energy: -334.547802 where: bonds (distance) C4'-P energy: -59.013 bonds (distance) P-C4' energy: -57.191 flat angles C4'-P-C4' energy: -71.947 flat angles P-C4'-P energy: -49.677 tors. eta vs tors. theta energy: -96.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1119.411219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.411219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.411219 (E_RNA) where: Base-Base interactions energy: -799.413 where: short stacking energy: -338.732 Base-Backbone interact. energy: -1.939 local terms energy: -318.059090 where: bonds (distance) C4'-P energy: -59.590 bonds (distance) P-C4' energy: -63.099 flat angles C4'-P-C4' energy: -60.570 flat angles P-C4'-P energy: -48.022 tors. eta vs tors. theta energy: -86.778 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: 9 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1015.558161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.558161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.558161 (E_RNA) where: Base-Base interactions energy: -717.673 where: short stacking energy: -306.354 Base-Backbone interact. energy: 0.143 local terms energy: -298.028954 where: bonds (distance) C4'-P energy: -43.474 bonds (distance) P-C4' energy: -64.141 flat angles C4'-P-C4' energy: -66.034 flat angles P-C4'-P energy: -45.401 tors. eta vs tors. theta energy: -78.979 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: 6 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -956.099678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.099678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.099678 (E_RNA) where: Base-Base interactions energy: -652.195 where: short stacking energy: -289.876 Base-Backbone interact. energy: -0.900 local terms energy: -303.005101 where: bonds (distance) C4'-P energy: -44.362 bonds (distance) P-C4' energy: -57.807 flat angles C4'-P-C4' energy: -67.375 flat angles P-C4'-P energy: -45.589 tors. eta vs tors. theta energy: -87.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -937.098539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.098539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.098539 (E_RNA) where: Base-Base interactions energy: -657.307 where: short stacking energy: -279.228 Base-Backbone interact. energy: -1.091 local terms energy: -278.699759 where: bonds (distance) C4'-P energy: -60.112 bonds (distance) P-C4' energy: -51.120 flat angles C4'-P-C4' energy: -64.016 flat angles P-C4'-P energy: -39.755 tors. eta vs tors. theta energy: -63.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -892.340216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.340216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.340216 (E_RNA) where: Base-Base interactions energy: -627.908 where: short stacking energy: -260.999 Base-Backbone interact. energy: -1.159 local terms energy: -263.273835 where: bonds (distance) C4'-P energy: -55.565 bonds (distance) P-C4' energy: -54.184 flat angles C4'-P-C4' energy: -57.827 flat angles P-C4'-P energy: -40.281 tors. eta vs tors. theta energy: -55.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -807.588104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.588104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.588104 (E_RNA) where: Base-Base interactions energy: -531.186 where: short stacking energy: -214.117 Base-Backbone interact. energy: -1.041 local terms energy: -275.360514 where: bonds (distance) C4'-P energy: -60.076 bonds (distance) P-C4' energy: -64.311 flat angles C4'-P-C4' energy: -62.343 flat angles P-C4'-P energy: -38.377 tors. eta vs tors. theta energy: -50.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -639.413590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.413590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.413590 (E_RNA) where: Base-Base interactions energy: -426.019 where: short stacking energy: -178.887 Base-Backbone interact. energy: 0.916 local terms energy: -214.310990 where: bonds (distance) C4'-P energy: -57.918 bonds (distance) P-C4' energy: -44.178 flat angles C4'-P-C4' energy: -48.395 flat angles P-C4'-P energy: -35.323 tors. eta vs tors. theta energy: -28.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -612.029066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.029066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.029066 (E_RNA) where: Base-Base interactions energy: -395.254 where: short stacking energy: -158.438 Base-Backbone interact. energy: -2.201 local terms energy: -214.573489 where: bonds (distance) C4'-P energy: -51.437 bonds (distance) P-C4' energy: -63.883 flat angles C4'-P-C4' energy: -45.086 flat angles P-C4'-P energy: -26.536 tors. eta vs tors. theta energy: -27.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1202.361285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.361285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.361285 (E_RNA) where: Base-Base interactions energy: -856.051 where: short stacking energy: -355.606 Base-Backbone interact. energy: -1.603 local terms energy: -344.707313 where: bonds (distance) C4'-P energy: -55.328 bonds (distance) P-C4' energy: -67.056 flat angles C4'-P-C4' energy: -74.450 flat angles P-C4'-P energy: -54.685 tors. eta vs tors. theta energy: -93.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1162.699051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.699051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.699051 (E_RNA) where: Base-Base interactions energy: -812.788 where: short stacking energy: -358.668 Base-Backbone interact. energy: -0.198 local terms energy: -349.712848 where: bonds (distance) C4'-P energy: -65.090 bonds (distance) P-C4' energy: -60.019 flat angles C4'-P-C4' energy: -72.412 flat angles P-C4'-P energy: -48.912 tors. eta vs tors. theta energy: -103.281 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: 1 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1113.517600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.517600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.517600 (E_RNA) where: Base-Base interactions energy: -794.561 where: short stacking energy: -327.121 Base-Backbone interact. energy: -3.604 local terms energy: -315.352556 where: bonds (distance) C4'-P energy: -52.162 bonds (distance) P-C4' energy: -60.151 flat angles C4'-P-C4' energy: -70.356 flat angles P-C4'-P energy: -45.669 tors. eta vs tors. theta energy: -87.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1009.916011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.916011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.916011 (E_RNA) where: Base-Base interactions energy: -712.377 where: short stacking energy: -321.154 Base-Backbone interact. energy: -0.451 local terms energy: -297.088324 where: bonds (distance) C4'-P energy: -45.851 bonds (distance) P-C4' energy: -61.421 flat angles C4'-P-C4' energy: -62.597 flat angles P-C4'-P energy: -44.364 tors. eta vs tors. theta energy: -82.855 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: 5, replica: 6 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -966.196360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.196360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.196360 (E_RNA) where: Base-Base interactions energy: -664.310 where: short stacking energy: -283.257 Base-Backbone interact. energy: -1.932 local terms energy: -299.954531 where: bonds (distance) C4'-P energy: -56.242 bonds (distance) P-C4' energy: -47.893 flat angles C4'-P-C4' energy: -66.234 flat angles P-C4'-P energy: -48.038 tors. eta vs tors. theta energy: -81.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -965.595366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.595366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.595366 (E_RNA) where: Base-Base interactions energy: -666.964 where: short stacking energy: -298.009 Base-Backbone interact. energy: -1.032 local terms energy: -297.599064 where: bonds (distance) C4'-P energy: -51.152 bonds (distance) P-C4' energy: -54.980 flat angles C4'-P-C4' energy: -70.618 flat angles P-C4'-P energy: -52.590 tors. eta vs tors. theta energy: -68.259 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: 8 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -917.966919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.966919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.966919 (E_RNA) where: Base-Base interactions energy: -646.164 where: short stacking energy: -269.586 Base-Backbone interact. energy: -2.340 local terms energy: -269.463323 where: bonds (distance) C4'-P energy: -61.290 bonds (distance) P-C4' energy: -54.488 flat angles C4'-P-C4' energy: -56.790 flat angles P-C4'-P energy: -29.975 tors. eta vs tors. theta energy: -66.921 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: 8, replica: 7 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -771.526751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.526751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.526751 (E_RNA) where: Base-Base interactions energy: -522.651 where: short stacking energy: -224.735 Base-Backbone interact. energy: 0.170 local terms energy: -249.045576 where: bonds (distance) C4'-P energy: -52.296 bonds (distance) P-C4' energy: -39.702 flat angles C4'-P-C4' energy: -49.217 flat angles P-C4'-P energy: -45.188 tors. eta vs tors. theta energy: -62.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -614.168761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.168761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.168761 (E_RNA) where: Base-Base interactions energy: -391.598 where: short stacking energy: -185.280 Base-Backbone interact. energy: 1.788 local terms energy: -224.358689 where: bonds (distance) C4'-P energy: -52.916 bonds (distance) P-C4' energy: -59.323 flat angles C4'-P-C4' energy: -45.200 flat angles P-C4'-P energy: -32.224 tors. eta vs tors. theta energy: -34.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -644.536253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.536253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.536253 (E_RNA) where: Base-Base interactions energy: -438.297 where: short stacking energy: -178.091 Base-Backbone interact. energy: -0.601 local terms energy: -205.637635 where: bonds (distance) C4'-P energy: -60.661 bonds (distance) P-C4' energy: -46.853 flat angles C4'-P-C4' energy: -45.587 flat angles P-C4'-P energy: -30.833 tors. eta vs tors. theta energy: -21.703 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: 1, replica: 10 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1202.242672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.242672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.242672 (E_RNA) where: Base-Base interactions energy: -848.047 where: short stacking energy: -351.914 Base-Backbone interact. energy: -1.119 local terms energy: -353.076793 where: bonds (distance) C4'-P energy: -66.761 bonds (distance) P-C4' energy: -63.250 flat angles C4'-P-C4' energy: -69.849 flat angles P-C4'-P energy: -56.997 tors. eta vs tors. theta energy: -96.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1148.528740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.528740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.528740 (E_RNA) where: Base-Base interactions energy: -798.823 where: short stacking energy: -350.524 Base-Backbone interact. energy: -2.553 local terms energy: -347.153241 where: bonds (distance) C4'-P energy: -53.696 bonds (distance) P-C4' energy: -69.147 flat angles C4'-P-C4' energy: -75.985 flat angles P-C4'-P energy: -49.733 tors. eta vs tors. theta energy: -98.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1125.460106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.460106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.460106 (E_RNA) where: Base-Base interactions energy: -820.368 where: short stacking energy: -319.338 Base-Backbone interact. energy: -1.656 local terms energy: -303.436047 where: bonds (distance) C4'-P energy: -58.252 bonds (distance) P-C4' energy: -58.263 flat angles C4'-P-C4' energy: -73.342 flat angles P-C4'-P energy: -40.767 tors. eta vs tors. theta energy: -72.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1003.681904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.681904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.681904 (E_RNA) where: Base-Base interactions energy: -701.210 where: short stacking energy: -316.730 Base-Backbone interact. energy: 1.374 local terms energy: -303.846854 where: bonds (distance) C4'-P energy: -56.796 bonds (distance) P-C4' energy: -60.542 flat angles C4'-P-C4' energy: -64.350 flat angles P-C4'-P energy: -33.963 tors. eta vs tors. theta energy: -88.195 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: 9 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -999.250327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.250327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.250327 (E_RNA) where: Base-Base interactions energy: -710.929 where: short stacking energy: -300.119 Base-Backbone interact. energy: -1.570 local terms energy: -286.751849 where: bonds (distance) C4'-P energy: -50.934 bonds (distance) P-C4' energy: -65.672 flat angles C4'-P-C4' energy: -53.201 flat angles P-C4'-P energy: -35.229 tors. eta vs tors. theta energy: -81.716 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: 5 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -972.980365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.980365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.980365 (E_RNA) where: Base-Base interactions energy: -677.919 where: short stacking energy: -275.299 Base-Backbone interact. energy: -2.118 local terms energy: -292.943644 where: bonds (distance) C4'-P energy: -53.720 bonds (distance) P-C4' energy: -62.347 flat angles C4'-P-C4' energy: -61.814 flat angles P-C4'-P energy: -43.861 tors. eta vs tors. theta energy: -71.202 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: 8 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -902.288001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.288001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.288001 (E_RNA) where: Base-Base interactions energy: -623.822 where: short stacking energy: -261.378 Base-Backbone interact. energy: -1.482 local terms energy: -276.984469 where: bonds (distance) C4'-P energy: -53.780 bonds (distance) P-C4' energy: -55.162 flat angles C4'-P-C4' energy: -64.950 flat angles P-C4'-P energy: -35.848 tors. eta vs tors. theta energy: -67.244 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: 377 Temperature: 1.250000 Total energy: -806.914006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.914006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.914006 (E_RNA) where: Base-Base interactions energy: -534.578 where: short stacking energy: -219.197 Base-Backbone interact. energy: -1.682 local terms energy: -270.653501 where: bonds (distance) C4'-P energy: -63.308 bonds (distance) P-C4' energy: -65.783 flat angles C4'-P-C4' energy: -58.844 flat angles P-C4'-P energy: -36.871 tors. eta vs tors. theta energy: -45.847 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: 377 Temperature: 1.300000 Total energy: -608.571430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.571430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.571430 (E_RNA) where: Base-Base interactions energy: -384.717 where: short stacking energy: -185.829 Base-Backbone interact. energy: 3.795 local terms energy: -227.649111 where: bonds (distance) C4'-P energy: -62.531 bonds (distance) P-C4' energy: -52.932 flat angles C4'-P-C4' energy: -45.089 flat angles P-C4'-P energy: -36.421 tors. eta vs tors. theta energy: -30.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -621.537223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.537223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.537223 (E_RNA) where: Base-Base interactions energy: -402.532 where: short stacking energy: -176.911 Base-Backbone interact. energy: -0.130 local terms energy: -218.874917 where: bonds (distance) C4'-P energy: -46.084 bonds (distance) P-C4' energy: -53.393 flat angles C4'-P-C4' energy: -55.872 flat angles P-C4'-P energy: -33.533 tors. eta vs tors. theta energy: -29.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1167.485910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.485910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.485910 (E_RNA) where: Base-Base interactions energy: -807.137 where: short stacking energy: -367.106 Base-Backbone interact. energy: -3.226 local terms energy: -357.122809 where: bonds (distance) C4'-P energy: -60.730 bonds (distance) P-C4' energy: -58.812 flat angles C4'-P-C4' energy: -76.860 flat angles P-C4'-P energy: -62.390 tors. eta vs tors. theta energy: -98.331 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: 10 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1191.513655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.513655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.513655 (E_RNA) where: Base-Base interactions energy: -843.039 where: short stacking energy: -349.586 Base-Backbone interact. energy: -1.319 local terms energy: -347.156409 where: bonds (distance) C4'-P energy: -60.598 bonds (distance) P-C4' energy: -68.567 flat angles C4'-P-C4' energy: -73.127 flat angles P-C4'-P energy: -54.220 tors. eta vs tors. theta energy: -90.644 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: 1 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1167.819125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.819125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.819125 (E_RNA) where: Base-Base interactions energy: -823.225 where: short stacking energy: -320.657 Base-Backbone interact. energy: -2.619 local terms energy: -341.975126 where: bonds (distance) C4'-P energy: -56.971 bonds (distance) P-C4' energy: -75.515 flat angles C4'-P-C4' energy: -70.151 flat angles P-C4'-P energy: -55.635 tors. eta vs tors. theta energy: -83.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -989.067076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.067076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.067076 (E_RNA) where: Base-Base interactions energy: -681.460 where: short stacking energy: -297.088 Base-Backbone interact. energy: 0.878 local terms energy: -308.484886 where: bonds (distance) C4'-P energy: -61.137 bonds (distance) P-C4' energy: -59.678 flat angles C4'-P-C4' energy: -68.832 flat angles P-C4'-P energy: -44.843 tors. eta vs tors. theta energy: -73.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -958.472474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.472474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.472474 (E_RNA) where: Base-Base interactions energy: -660.115 where: short stacking energy: -291.478 Base-Backbone interact. energy: 1.099 local terms energy: -299.456629 where: bonds (distance) C4'-P energy: -66.429 bonds (distance) P-C4' energy: -59.596 flat angles C4'-P-C4' energy: -59.951 flat angles P-C4'-P energy: -43.276 tors. eta vs tors. theta energy: -70.206 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: 9 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -980.782072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.782072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.782072 (E_RNA) where: Base-Base interactions energy: -682.749 where: short stacking energy: -281.220 Base-Backbone interact. energy: -1.993 local terms energy: -296.040431 where: bonds (distance) C4'-P energy: -46.589 bonds (distance) P-C4' energy: -66.580 flat angles C4'-P-C4' energy: -65.645 flat angles P-C4'-P energy: -46.160 tors. eta vs tors. theta energy: -71.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -894.117213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.117213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.117213 (E_RNA) where: Base-Base interactions energy: -611.907 where: short stacking energy: -252.011 Base-Backbone interact. energy: -0.210 local terms energy: -282.000201 where: bonds (distance) C4'-P energy: -48.639 bonds (distance) P-C4' energy: -67.913 flat angles C4'-P-C4' energy: -67.164 flat angles P-C4'-P energy: -33.416 tors. eta vs tors. theta energy: -64.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -789.614629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.614629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.614629 (E_RNA) where: Base-Base interactions energy: -519.888 where: short stacking energy: -222.159 Base-Backbone interact. energy: -2.802 local terms energy: -266.924204 where: bonds (distance) C4'-P energy: -51.441 bonds (distance) P-C4' energy: -59.599 flat angles C4'-P-C4' energy: -66.737 flat angles P-C4'-P energy: -40.006 tors. eta vs tors. theta energy: -49.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -678.663151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.663151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.663151 (E_RNA) where: Base-Base interactions energy: -437.272 where: short stacking energy: -183.984 Base-Backbone interact. energy: -1.080 local terms energy: -240.311801 where: bonds (distance) C4'-P energy: -57.397 bonds (distance) P-C4' energy: -46.925 flat angles C4'-P-C4' energy: -65.604 flat angles P-C4'-P energy: -27.494 tors. eta vs tors. theta energy: -42.892 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: 3 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -588.434963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.434963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.434963 (E_RNA) where: Base-Base interactions energy: -380.121 where: short stacking energy: -171.105 Base-Backbone interact. energy: -1.507 local terms energy: -206.807193 where: bonds (distance) C4'-P energy: -44.489 bonds (distance) P-C4' energy: -50.554 flat angles C4'-P-C4' energy: -54.733 flat angles P-C4'-P energy: -33.770 tors. eta vs tors. theta energy: -23.261 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: 1, replica: 4 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1157.523695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.523695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.523695 (E_RNA) where: Base-Base interactions energy: -811.476 where: short stacking energy: -362.025 Base-Backbone interact. energy: -1.702 local terms energy: -344.344890 where: bonds (distance) C4'-P energy: -69.558 bonds (distance) P-C4' energy: -62.927 flat angles C4'-P-C4' energy: -70.199 flat angles P-C4'-P energy: -43.732 tors. eta vs tors. theta energy: -97.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1205.855674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.855674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.855674 (E_RNA) where: Base-Base interactions energy: -861.575 where: short stacking energy: -367.770 Base-Backbone interact. energy: -0.284 local terms energy: -343.996448 where: bonds (distance) C4'-P energy: -65.044 bonds (distance) P-C4' energy: -62.207 flat angles C4'-P-C4' energy: -74.704 flat angles P-C4'-P energy: -45.128 tors. eta vs tors. theta energy: -96.914 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: 1 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1120.681422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.681422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.681422 (E_RNA) where: Base-Base interactions energy: -826.042 where: short stacking energy: -315.221 Base-Backbone interact. energy: -1.293 local terms energy: -293.345717 where: bonds (distance) C4'-P energy: -50.056 bonds (distance) P-C4' energy: -54.996 flat angles C4'-P-C4' energy: -62.959 flat angles P-C4'-P energy: -46.693 tors. eta vs tors. theta energy: -78.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1016.281947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.281947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.281947 (E_RNA) where: Base-Base interactions energy: -716.125 where: short stacking energy: -309.555 Base-Backbone interact. energy: -0.231 local terms energy: -299.925955 where: bonds (distance) C4'-P energy: -61.902 bonds (distance) P-C4' energy: -55.936 flat angles C4'-P-C4' energy: -69.956 flat angles P-C4'-P energy: -37.435 tors. eta vs tors. theta energy: -74.697 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: 6 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -981.280281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.280281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.280281 (E_RNA) where: Base-Base interactions energy: -690.296 where: short stacking energy: -263.367 Base-Backbone interact. energy: -0.661 local terms energy: -290.323287 where: bonds (distance) C4'-P energy: -50.739 bonds (distance) P-C4' energy: -60.687 flat angles C4'-P-C4' energy: -65.210 flat angles P-C4'-P energy: -43.455 tors. eta vs tors. theta energy: -70.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -912.503473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.503473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.503473 (E_RNA) where: Base-Base interactions energy: -629.486 where: short stacking energy: -277.775 Base-Backbone interact. energy: -1.246 local terms energy: -281.771468 where: bonds (distance) C4'-P energy: -54.824 bonds (distance) P-C4' energy: -56.735 flat angles C4'-P-C4' energy: -65.322 flat angles P-C4'-P energy: -41.356 tors. eta vs tors. theta energy: -63.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -916.946083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.946083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.946083 (E_RNA) where: Base-Base interactions energy: -652.788 where: short stacking energy: -279.212 Base-Backbone interact. energy: -0.221 local terms energy: -263.936446 where: bonds (distance) C4'-P energy: -53.170 bonds (distance) P-C4' energy: -54.169 flat angles C4'-P-C4' energy: -67.348 flat angles P-C4'-P energy: -32.017 tors. eta vs tors. theta energy: -57.232 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: 7 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -781.638321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.638321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.638321 (E_RNA) where: Base-Base interactions energy: -547.047 where: short stacking energy: -232.261 Base-Backbone interact. energy: -1.046 local terms energy: -233.545376 where: bonds (distance) C4'-P energy: -43.521 bonds (distance) P-C4' energy: -57.815 flat angles C4'-P-C4' energy: -51.169 flat angles P-C4'-P energy: -32.286 tors. eta vs tors. theta energy: -48.755 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: 2 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -744.105489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.105489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.105489 (E_RNA) where: Base-Base interactions energy: -517.356 where: short stacking energy: -224.344 Base-Backbone interact. energy: 2.033 local terms energy: -228.782623 where: bonds (distance) C4'-P energy: -43.202 bonds (distance) P-C4' energy: -47.205 flat angles C4'-P-C4' energy: -55.050 flat angles P-C4'-P energy: -42.414 tors. eta vs tors. theta energy: -40.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -575.675004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.675004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.675004 (E_RNA) where: Base-Base interactions energy: -354.573 where: short stacking energy: -153.105 Base-Backbone interact. energy: -1.507 local terms energy: -219.594954 where: bonds (distance) C4'-P energy: -52.529 bonds (distance) P-C4' energy: -59.343 flat angles C4'-P-C4' energy: -52.063 flat angles P-C4'-P energy: -39.127 tors. eta vs tors. theta energy: -16.533 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: 10 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1217.234794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.234794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.234794 (E_RNA) where: Base-Base interactions energy: -864.596 where: short stacking energy: -360.940 Base-Backbone interact. energy: 0.075 local terms energy: -352.713320 where: bonds (distance) C4'-P energy: -66.390 bonds (distance) P-C4' energy: -67.570 flat angles C4'-P-C4' energy: -76.680 flat angles P-C4'-P energy: -46.896 tors. eta vs tors. theta energy: -95.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1132.944420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.944420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.944420 (E_RNA) where: Base-Base interactions energy: -772.345 where: short stacking energy: -343.280 Base-Backbone interact. energy: -1.454 local terms energy: -359.146331 where: bonds (distance) C4'-P energy: -62.036 bonds (distance) P-C4' energy: -68.760 flat angles C4'-P-C4' energy: -80.346 flat angles P-C4'-P energy: -51.874 tors. eta vs tors. theta energy: -96.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1045.314802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.314802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.314802 (E_RNA) where: Base-Base interactions energy: -710.797 where: short stacking energy: -320.884 Base-Backbone interact. energy: -1.723 local terms energy: -332.795326 where: bonds (distance) C4'-P energy: -64.202 bonds (distance) P-C4' energy: -55.725 flat angles C4'-P-C4' energy: -69.442 flat angles P-C4'-P energy: -51.537 tors. eta vs tors. theta energy: -91.889 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: 1 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1091.818155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.818155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.818155 (E_RNA) where: Base-Base interactions energy: -796.492 where: short stacking energy: -300.684 Base-Backbone interact. energy: -2.380 local terms energy: -292.946803 where: bonds (distance) C4'-P energy: -56.447 bonds (distance) P-C4' energy: -47.042 flat angles C4'-P-C4' energy: -69.338 flat angles P-C4'-P energy: -43.090 tors. eta vs tors. theta energy: -77.030 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: 6 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -984.695336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.695336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.695336 (E_RNA) where: Base-Base interactions energy: -679.869 where: short stacking energy: -282.396 Base-Backbone interact. energy: -0.694 local terms energy: -304.132406 where: bonds (distance) C4'-P energy: -65.941 bonds (distance) P-C4' energy: -58.514 flat angles C4'-P-C4' energy: -68.081 flat angles P-C4'-P energy: -42.220 tors. eta vs tors. theta energy: -69.376 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: 8 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -950.863309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.863309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.863309 (E_RNA) where: Base-Base interactions energy: -664.311 where: short stacking energy: -290.308 Base-Backbone interact. energy: 0.152 local terms energy: -286.704915 where: bonds (distance) C4'-P energy: -50.643 bonds (distance) P-C4' energy: -64.501 flat angles C4'-P-C4' energy: -54.817 flat angles P-C4'-P energy: -50.512 tors. eta vs tors. theta energy: -66.233 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: 9 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -946.017138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.017138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.017138 (E_RNA) where: Base-Base interactions energy: -666.114 where: short stacking energy: -276.937 Base-Backbone interact. energy: -0.913 local terms energy: -278.990124 where: bonds (distance) C4'-P energy: -60.055 bonds (distance) P-C4' energy: -48.127 flat angles C4'-P-C4' energy: -66.769 flat angles P-C4'-P energy: -31.776 tors. eta vs tors. theta energy: -72.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -767.180729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.180729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.180729 (E_RNA) where: Base-Base interactions energy: -531.542 where: short stacking energy: -236.873 Base-Backbone interact. energy: -0.012 local terms energy: -235.626890 where: bonds (distance) C4'-P energy: -57.098 bonds (distance) P-C4' energy: -58.653 flat angles C4'-P-C4' energy: -46.543 flat angles P-C4'-P energy: -31.434 tors. eta vs tors. theta energy: -41.899 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: 2 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -756.240895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.240895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.240895 (E_RNA) where: Base-Base interactions energy: -516.999 where: short stacking energy: -234.176 Base-Backbone interact. energy: -2.302 local terms energy: -236.940250 where: bonds (distance) C4'-P energy: -55.201 bonds (distance) P-C4' energy: -50.643 flat angles C4'-P-C4' energy: -54.097 flat angles P-C4'-P energy: -27.015 tors. eta vs tors. theta energy: -49.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -584.177989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.177989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.177989 (E_RNA) where: Base-Base interactions energy: -397.296 where: short stacking energy: -175.470 Base-Backbone interact. energy: 2.002 local terms energy: -188.883828 where: bonds (distance) C4'-P energy: -44.199 bonds (distance) P-C4' energy: -55.593 flat angles C4'-P-C4' energy: -54.283 flat angles P-C4'-P energy: -10.663 tors. eta vs tors. theta energy: -24.146 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: 10 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1188.312950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.312950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.312950 (E_RNA) where: Base-Base interactions energy: -836.451 where: short stacking energy: -352.509 Base-Backbone interact. energy: -0.414 local terms energy: -351.448182 where: bonds (distance) C4'-P energy: -62.598 bonds (distance) P-C4' energy: -69.109 flat angles C4'-P-C4' energy: -72.963 flat angles P-C4'-P energy: -49.642 tors. eta vs tors. theta energy: -97.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1139.110853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.110853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.110853 (E_RNA) where: Base-Base interactions energy: -796.860 where: short stacking energy: -347.493 Base-Backbone interact. energy: -0.927 local terms energy: -341.323348 where: bonds (distance) C4'-P energy: -51.577 bonds (distance) P-C4' energy: -77.720 flat angles C4'-P-C4' energy: -70.845 flat angles P-C4'-P energy: -42.677 tors. eta vs tors. theta energy: -98.505 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: 5 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1039.327886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.327886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.327886 (E_RNA) where: Base-Base interactions energy: -703.661 where: short stacking energy: -324.532 Base-Backbone interact. energy: -0.698 local terms energy: -334.968472 where: bonds (distance) C4'-P energy: -65.759 bonds (distance) P-C4' energy: -60.671 flat angles C4'-P-C4' energy: -67.590 flat angles P-C4'-P energy: -48.865 tors. eta vs tors. theta energy: -92.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1102.556240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.556240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.556240 (E_RNA) where: Base-Base interactions energy: -805.155 where: short stacking energy: -323.651 Base-Backbone interact. energy: -3.955 local terms energy: -293.446664 where: bonds (distance) C4'-P energy: -52.053 bonds (distance) P-C4' energy: -64.365 flat angles C4'-P-C4' energy: -65.863 flat angles P-C4'-P energy: -37.982 tors. eta vs tors. theta energy: -73.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -966.275532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.275532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.275532 (E_RNA) where: Base-Base interactions energy: -677.509 where: short stacking energy: -264.861 Base-Backbone interact. energy: 6.321 local terms energy: -295.088040 where: bonds (distance) C4'-P energy: -64.544 bonds (distance) P-C4' energy: -61.644 flat angles C4'-P-C4' energy: -63.180 flat angles P-C4'-P energy: -36.093 tors. eta vs tors. theta energy: -69.627 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: 8 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -941.212927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.212927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.212927 (E_RNA) where: Base-Base interactions energy: -651.173 where: short stacking energy: -283.432 Base-Backbone interact. energy: 4.482 local terms energy: -294.521147 where: bonds (distance) C4'-P energy: -48.669 bonds (distance) P-C4' energy: -59.408 flat angles C4'-P-C4' energy: -68.515 flat angles P-C4'-P energy: -47.965 tors. eta vs tors. theta energy: -69.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -897.972985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.972985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.972985 (E_RNA) where: Base-Base interactions energy: -611.907 where: short stacking energy: -259.419 Base-Backbone interact. energy: -1.527 local terms energy: -284.539281 where: bonds (distance) C4'-P energy: -52.568 bonds (distance) P-C4' energy: -60.671 flat angles C4'-P-C4' energy: -70.242 flat angles P-C4'-P energy: -31.570 tors. eta vs tors. theta energy: -69.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -772.698772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.698772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.698772 (E_RNA) where: Base-Base interactions energy: -526.997 where: short stacking energy: -225.934 Base-Backbone interact. energy: -0.923 local terms energy: -244.778577 where: bonds (distance) C4'-P energy: -54.249 bonds (distance) P-C4' energy: -59.518 flat angles C4'-P-C4' energy: -53.813 flat angles P-C4'-P energy: -22.506 tors. eta vs tors. theta energy: -54.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -745.294792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.294792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.294792 (E_RNA) where: Base-Base interactions energy: -504.606 where: short stacking energy: -205.608 Base-Backbone interact. energy: 3.620 local terms energy: -244.309081 where: bonds (distance) C4'-P energy: -53.973 bonds (distance) P-C4' energy: -50.887 flat angles C4'-P-C4' energy: -59.950 flat angles P-C4'-P energy: -35.046 tors. eta vs tors. theta energy: -44.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -621.517654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.517654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.517654 (E_RNA) where: Base-Base interactions energy: -401.239 where: short stacking energy: -179.762 Base-Backbone interact. energy: -0.910 local terms energy: -219.368713 where: bonds (distance) C4'-P energy: -33.468 bonds (distance) P-C4' energy: -58.021 flat angles C4'-P-C4' energy: -61.120 flat angles P-C4'-P energy: -37.344 tors. eta vs tors. theta energy: -29.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1192.853716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.853716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.853716 (E_RNA) where: Base-Base interactions energy: -845.579 where: short stacking energy: -346.021 Base-Backbone interact. energy: -0.603 local terms energy: -346.671130 where: bonds (distance) C4'-P energy: -66.292 bonds (distance) P-C4' energy: -68.894 flat angles C4'-P-C4' energy: -72.243 flat angles P-C4'-P energy: -50.245 tors. eta vs tors. theta energy: -88.997 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: 4 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1173.541279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.541279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.541279 (E_RNA) where: Base-Base interactions energy: -825.710 where: short stacking energy: -366.200 Base-Backbone interact. energy: -0.233 local terms energy: -347.597493 where: bonds (distance) C4'-P energy: -65.361 bonds (distance) P-C4' energy: -55.606 flat angles C4'-P-C4' energy: -70.458 flat angles P-C4'-P energy: -54.286 tors. eta vs tors. theta energy: -101.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1105.697099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.697099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.697099 (E_RNA) where: Base-Base interactions energy: -787.254 where: short stacking energy: -312.452 Base-Backbone interact. energy: -4.470 local terms energy: -313.972838 where: bonds (distance) C4'-P energy: -60.372 bonds (distance) P-C4' energy: -56.222 flat angles C4'-P-C4' energy: -68.565 flat angles P-C4'-P energy: -50.113 tors. eta vs tors. theta energy: -78.700 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: 4, replica: 5 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -983.822948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.822948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.822948 (E_RNA) where: Base-Base interactions energy: -665.388 where: short stacking energy: -301.355 Base-Backbone interact. energy: -0.814 local terms energy: -317.621202 where: bonds (distance) C4'-P energy: -64.885 bonds (distance) P-C4' energy: -57.654 flat angles C4'-P-C4' energy: -62.062 flat angles P-C4'-P energy: -52.197 tors. eta vs tors. theta energy: -80.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -971.828017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.828017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.828017 (E_RNA) where: Base-Base interactions energy: -669.485 where: short stacking energy: -296.255 Base-Backbone interact. energy: -2.943 local terms energy: -299.399927 where: bonds (distance) C4'-P energy: -63.711 bonds (distance) P-C4' energy: -56.300 flat angles C4'-P-C4' energy: -61.724 flat angles P-C4'-P energy: -39.425 tors. eta vs tors. theta energy: -78.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -933.562732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.562732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.562732 (E_RNA) where: Base-Base interactions energy: -633.659 where: short stacking energy: -268.479 Base-Backbone interact. energy: -1.232 local terms energy: -298.671419 where: bonds (distance) C4'-P energy: -67.142 bonds (distance) P-C4' energy: -50.693 flat angles C4'-P-C4' energy: -62.718 flat angles P-C4'-P energy: -46.214 tors. eta vs tors. theta energy: -71.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -915.175594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.175594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.175594 (E_RNA) where: Base-Base interactions energy: -644.685 where: short stacking energy: -266.391 Base-Backbone interact. energy: -1.491 local terms energy: -268.999347 where: bonds (distance) C4'-P energy: -54.266 bonds (distance) P-C4' energy: -43.426 flat angles C4'-P-C4' energy: -68.801 flat angles P-C4'-P energy: -36.979 tors. eta vs tors. theta energy: -65.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -769.629634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.629634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.629634 (E_RNA) where: Base-Base interactions energy: -515.817 where: short stacking energy: -220.207 Base-Backbone interact. energy: -1.616 local terms energy: -252.196866 where: bonds (distance) C4'-P energy: -54.757 bonds (distance) P-C4' energy: -50.661 flat angles C4'-P-C4' energy: -51.234 flat angles P-C4'-P energy: -34.237 tors. eta vs tors. theta energy: -61.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -768.407420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.407420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.407420 (E_RNA) where: Base-Base interactions energy: -527.276 where: short stacking energy: -224.873 Base-Backbone interact. energy: -0.597 local terms energy: -240.534331 where: bonds (distance) C4'-P energy: -56.997 bonds (distance) P-C4' energy: -47.573 flat angles C4'-P-C4' energy: -51.661 flat angles P-C4'-P energy: -35.098 tors. eta vs tors. theta energy: -49.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -606.972600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.972600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.972600 (E_RNA) where: Base-Base interactions energy: -373.374 where: short stacking energy: -156.038 Base-Backbone interact. energy: 2.065 local terms energy: -235.662999 where: bonds (distance) C4'-P energy: -55.126 bonds (distance) P-C4' energy: -60.760 flat angles C4'-P-C4' energy: -62.501 flat angles P-C4'-P energy: -22.877 tors. eta vs tors. theta energy: -34.400 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: 1, replica: 10 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1195.383863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.383863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.383863 (E_RNA) where: Base-Base interactions energy: -856.174 where: short stacking energy: -355.471 Base-Backbone interact. energy: 0.382 local terms energy: -339.591966 where: bonds (distance) C4'-P energy: -59.779 bonds (distance) P-C4' energy: -70.326 flat angles C4'-P-C4' energy: -73.100 flat angles P-C4'-P energy: -45.632 tors. eta vs tors. theta energy: -90.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1149.481370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.481370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.481370 (E_RNA) where: Base-Base interactions energy: -820.436 where: short stacking energy: -340.927 Base-Backbone interact. energy: 0.761 local terms energy: -329.806056 where: bonds (distance) C4'-P energy: -62.425 bonds (distance) P-C4' energy: -66.077 flat angles C4'-P-C4' energy: -72.221 flat angles P-C4'-P energy: -44.282 tors. eta vs tors. theta energy: -84.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1149.580453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.580453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.580453 (E_RNA) where: Base-Base interactions energy: -808.800 where: short stacking energy: -359.449 Base-Backbone interact. energy: -0.639 local terms energy: -340.141607 where: bonds (distance) C4'-P energy: -61.144 bonds (distance) P-C4' energy: -60.690 flat angles C4'-P-C4' energy: -73.261 flat angles P-C4'-P energy: -42.784 tors. eta vs tors. theta energy: -102.263 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: 6 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1008.641783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.641783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.641783 (E_RNA) where: Base-Base interactions energy: -708.952 where: short stacking energy: -304.269 Base-Backbone interact. energy: -2.014 local terms energy: -297.676473 where: bonds (distance) C4'-P energy: -52.576 bonds (distance) P-C4' energy: -60.768 flat angles C4'-P-C4' energy: -67.460 flat angles P-C4'-P energy: -44.634 tors. eta vs tors. theta energy: -72.239 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: 5 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -965.534239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.534239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.534239 (E_RNA) where: Base-Base interactions energy: -649.761 where: short stacking energy: -314.741 Base-Backbone interact. energy: -0.345 local terms energy: -315.427947 where: bonds (distance) C4'-P energy: -57.939 bonds (distance) P-C4' energy: -65.124 flat angles C4'-P-C4' energy: -66.495 flat angles P-C4'-P energy: -44.873 tors. eta vs tors. theta energy: -80.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -951.182775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.182775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.182775 (E_RNA) where: Base-Base interactions energy: -668.387 where: short stacking energy: -276.249 Base-Backbone interact. energy: -0.212 local terms energy: -282.583265 where: bonds (distance) C4'-P energy: -57.670 bonds (distance) P-C4' energy: -52.597 flat angles C4'-P-C4' energy: -62.302 flat angles P-C4'-P energy: -35.293 tors. eta vs tors. theta energy: -74.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -868.397412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.397412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.397412 (E_RNA) where: Base-Base interactions energy: -604.162 where: short stacking energy: -253.828 Base-Backbone interact. energy: -0.703 local terms energy: -263.532752 where: bonds (distance) C4'-P energy: -52.604 bonds (distance) P-C4' energy: -63.016 flat angles C4'-P-C4' energy: -54.385 flat angles P-C4'-P energy: -37.427 tors. eta vs tors. theta energy: -56.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -807.293704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.293704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.293704 (E_RNA) where: Base-Base interactions energy: -527.402 where: short stacking energy: -232.537 Base-Backbone interact. energy: -3.561 local terms energy: -276.330438 where: bonds (distance) C4'-P energy: -56.020 bonds (distance) P-C4' energy: -59.734 flat angles C4'-P-C4' energy: -62.518 flat angles P-C4'-P energy: -39.655 tors. eta vs tors. theta energy: -58.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -790.502914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.502914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.502914 (E_RNA) where: Base-Base interactions energy: -548.505 where: short stacking energy: -227.280 Base-Backbone interact. energy: -1.449 local terms energy: -240.549554 where: bonds (distance) C4'-P energy: -42.217 bonds (distance) P-C4' energy: -53.337 flat angles C4'-P-C4' energy: -52.991 flat angles P-C4'-P energy: -35.176 tors. eta vs tors. theta energy: -56.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -597.032150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.032150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.032150 (E_RNA) where: Base-Base interactions energy: -383.902 where: short stacking energy: -168.457 Base-Backbone interact. energy: 3.486 local terms energy: -216.616502 where: bonds (distance) C4'-P energy: -57.232 bonds (distance) P-C4' energy: -60.884 flat angles C4'-P-C4' energy: -47.842 flat angles P-C4'-P energy: -28.036 tors. eta vs tors. theta energy: -22.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1216.490170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.490170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.490170 (E_RNA) where: Base-Base interactions energy: -845.508 where: short stacking energy: -345.683 Base-Backbone interact. energy: -1.923 local terms energy: -369.059680 where: bonds (distance) C4'-P energy: -74.275 bonds (distance) P-C4' energy: -66.613 flat angles C4'-P-C4' energy: -83.012 flat angles P-C4'-P energy: -51.803 tors. eta vs tors. theta energy: -93.357 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: 1 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1142.889054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.889054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.889054 (E_RNA) where: Base-Base interactions energy: -805.604 where: short stacking energy: -322.346 Base-Backbone interact. energy: -1.392 local terms energy: -335.893306 where: bonds (distance) C4'-P energy: -60.870 bonds (distance) P-C4' energy: -63.719 flat angles C4'-P-C4' energy: -73.510 flat angles P-C4'-P energy: -53.500 tors. eta vs tors. theta energy: -84.294 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: 4 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1167.019811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.019811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.019811 (E_RNA) where: Base-Base interactions energy: -799.425 where: short stacking energy: -333.417 Base-Backbone interact. energy: -2.057 local terms energy: -365.537625 where: bonds (distance) C4'-P energy: -66.640 bonds (distance) P-C4' energy: -66.483 flat angles C4'-P-C4' energy: -76.152 flat angles P-C4'-P energy: -56.895 tors. eta vs tors. theta energy: -99.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1024.726614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.726614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.726614 (E_RNA) where: Base-Base interactions energy: -710.400 where: short stacking energy: -307.660 Base-Backbone interact. energy: 2.734 local terms energy: -317.061252 where: bonds (distance) C4'-P energy: -61.175 bonds (distance) P-C4' energy: -56.257 flat angles C4'-P-C4' energy: -70.991 flat angles P-C4'-P energy: -47.982 tors. eta vs tors. theta energy: -80.656 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: 5 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -962.183159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.183159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.183159 (E_RNA) where: Base-Base interactions energy: -679.487 where: short stacking energy: -281.616 Base-Backbone interact. energy: -2.626 local terms energy: -280.070385 where: bonds (distance) C4'-P energy: -51.295 bonds (distance) P-C4' energy: -51.399 flat angles C4'-P-C4' energy: -59.461 flat angles P-C4'-P energy: -46.203 tors. eta vs tors. theta energy: -71.712 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: 9 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -934.247655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.247655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.247655 (E_RNA) where: Base-Base interactions energy: -643.128 where: short stacking energy: -288.205 Base-Backbone interact. energy: -1.001 local terms energy: -290.118209 where: bonds (distance) C4'-P energy: -54.610 bonds (distance) P-C4' energy: -63.853 flat angles C4'-P-C4' energy: -58.149 flat angles P-C4'-P energy: -39.613 tors. eta vs tors. theta energy: -73.893 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: 384 Temperature: 1.200000 Total energy: -822.397651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.397651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.397651 (E_RNA) where: Base-Base interactions energy: -556.917 where: short stacking energy: -248.994 Base-Backbone interact. energy: 0.942 local terms energy: -266.422617 where: bonds (distance) C4'-P energy: -50.068 bonds (distance) P-C4' energy: -61.878 flat angles C4'-P-C4' energy: -64.284 flat angles P-C4'-P energy: -37.278 tors. eta vs tors. theta energy: -52.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -834.984803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.984803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.984803 (E_RNA) where: Base-Base interactions energy: -573.852 where: short stacking energy: -251.834 Base-Backbone interact. energy: 0.804 local terms energy: -261.936419 where: bonds (distance) C4'-P energy: -49.277 bonds (distance) P-C4' energy: -44.944 flat angles C4'-P-C4' energy: -65.636 flat angles P-C4'-P energy: -41.000 tors. eta vs tors. theta energy: -61.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -769.634838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.634838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.634838 (E_RNA) where: Base-Base interactions energy: -537.074 where: short stacking energy: -242.385 Base-Backbone interact. energy: -1.722 local terms energy: -230.838738 where: bonds (distance) C4'-P energy: -61.647 bonds (distance) P-C4' energy: -28.782 flat angles C4'-P-C4' energy: -68.633 flat angles P-C4'-P energy: -28.512 tors. eta vs tors. theta energy: -43.266 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: 3 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -635.100050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.100050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.100050 (E_RNA) where: Base-Base interactions energy: -413.706 where: short stacking energy: -176.958 Base-Backbone interact. energy: -0.463 local terms energy: -220.931595 where: bonds (distance) C4'-P energy: -48.404 bonds (distance) P-C4' energy: -41.963 flat angles C4'-P-C4' energy: -62.334 flat angles P-C4'-P energy: -29.700 tors. eta vs tors. theta energy: -38.531 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: 10 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1223.531148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.531148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.531148 (E_RNA) where: Base-Base interactions energy: -883.072 where: short stacking energy: -364.766 Base-Backbone interact. energy: -0.324 local terms energy: -340.135054 where: bonds (distance) C4'-P energy: -61.491 bonds (distance) P-C4' energy: -58.772 flat angles C4'-P-C4' energy: -71.525 flat angles P-C4'-P energy: -51.917 tors. eta vs tors. theta energy: -96.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1160.673305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.673305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.673305 (E_RNA) where: Base-Base interactions energy: -826.279 where: short stacking energy: -354.067 Base-Backbone interact. energy: -0.778 local terms energy: -333.616602 where: bonds (distance) C4'-P energy: -51.209 bonds (distance) P-C4' energy: -65.260 flat angles C4'-P-C4' energy: -69.886 flat angles P-C4'-P energy: -50.089 tors. eta vs tors. theta energy: -97.171 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: 1 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1111.393472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.393472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.393472 (E_RNA) where: Base-Base interactions energy: -785.716 where: short stacking energy: -321.364 Base-Backbone interact. energy: -1.517 local terms energy: -324.161080 where: bonds (distance) C4'-P energy: -59.830 bonds (distance) P-C4' energy: -65.015 flat angles C4'-P-C4' energy: -72.221 flat angles P-C4'-P energy: -42.921 tors. eta vs tors. theta energy: -84.175 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: 6 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1016.990592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.990592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.990592 (E_RNA) where: Base-Base interactions energy: -713.394 where: short stacking energy: -289.901 Base-Backbone interact. energy: 0.255 local terms energy: -303.851555 where: bonds (distance) C4'-P energy: -62.777 bonds (distance) P-C4' energy: -48.422 flat angles C4'-P-C4' energy: -69.077 flat angles P-C4'-P energy: -46.341 tors. eta vs tors. theta energy: -77.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -963.174803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.174803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.174803 (E_RNA) where: Base-Base interactions energy: -655.400 where: short stacking energy: -280.519 Base-Backbone interact. energy: -0.248 local terms energy: -307.527165 where: bonds (distance) C4'-P energy: -60.770 bonds (distance) P-C4' energy: -59.057 flat angles C4'-P-C4' energy: -68.526 flat angles P-C4'-P energy: -52.688 tors. eta vs tors. theta energy: -66.486 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: 6, replica: 9 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -936.478484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.478484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.478484 (E_RNA) where: Base-Base interactions energy: -643.610 where: short stacking energy: -279.478 Base-Backbone interact. energy: -0.500 local terms energy: -292.368043 where: bonds (distance) C4'-P energy: -53.439 bonds (distance) P-C4' energy: -60.311 flat angles C4'-P-C4' energy: -64.647 flat angles P-C4'-P energy: -46.339 tors. eta vs tors. theta energy: -67.632 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: 7, replica: 7 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -835.937818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.937818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.937818 (E_RNA) where: Base-Base interactions energy: -573.928 where: short stacking energy: -262.382 Base-Backbone interact. energy: -0.168 local terms energy: -261.842098 where: bonds (distance) C4'-P energy: -44.877 bonds (distance) P-C4' energy: -44.965 flat angles C4'-P-C4' energy: -61.240 flat angles P-C4'-P energy: -43.597 tors. eta vs tors. theta energy: -67.162 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: 8, replica: 8 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -865.751031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.751031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.751031 (E_RNA) where: Base-Base interactions energy: -596.518 where: short stacking energy: -241.618 Base-Backbone interact. energy: -0.750 local terms energy: -268.483063 where: bonds (distance) C4'-P energy: -50.442 bonds (distance) P-C4' energy: -57.725 flat angles C4'-P-C4' energy: -59.035 flat angles P-C4'-P energy: -43.338 tors. eta vs tors. theta energy: -57.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -754.527952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.527952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.527952 (E_RNA) where: Base-Base interactions energy: -509.053 where: short stacking energy: -223.245 Base-Backbone interact. energy: -1.322 local terms energy: -244.153355 where: bonds (distance) C4'-P energy: -47.440 bonds (distance) P-C4' energy: -52.226 flat angles C4'-P-C4' energy: -61.933 flat angles P-C4'-P energy: -28.038 tors. eta vs tors. theta energy: -54.515 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: 10, replica: 3 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -632.388035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.388035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.388035 (E_RNA) where: Base-Base interactions energy: -416.881 where: short stacking energy: -191.471 Base-Backbone interact. energy: 2.853 local terms energy: -218.360328 where: bonds (distance) C4'-P energy: -52.549 bonds (distance) P-C4' energy: -48.313 flat angles C4'-P-C4' energy: -54.567 flat angles P-C4'-P energy: -34.452 tors. eta vs tors. theta energy: -28.479 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: 10 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1224.348153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.348153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.348153 (E_RNA) where: Base-Base interactions energy: -869.138 where: short stacking energy: -360.371 Base-Backbone interact. energy: -3.020 local terms energy: -352.190152 where: bonds (distance) C4'-P energy: -67.857 bonds (distance) P-C4' energy: -71.824 flat angles C4'-P-C4' energy: -72.551 flat angles P-C4'-P energy: -43.213 tors. eta vs tors. theta energy: -96.746 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: 2, replica: 4 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1164.043098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.043098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.043098 (E_RNA) where: Base-Base interactions energy: -813.486 where: short stacking energy: -340.611 Base-Backbone interact. energy: -1.410 local terms energy: -349.147614 where: bonds (distance) C4'-P energy: -57.817 bonds (distance) P-C4' energy: -60.933 flat angles C4'-P-C4' energy: -77.438 flat angles P-C4'-P energy: -47.184 tors. eta vs tors. theta energy: -105.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1092.892953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.892953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.892953 (E_RNA) where: Base-Base interactions energy: -780.767 where: short stacking energy: -290.042 Base-Backbone interact. energy: -2.844 local terms energy: -309.282326 where: bonds (distance) C4'-P energy: -66.719 bonds (distance) P-C4' energy: -64.031 flat angles C4'-P-C4' energy: -64.029 flat angles P-C4'-P energy: -41.084 tors. eta vs tors. theta energy: -73.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -995.454567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.454567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.454567 (E_RNA) where: Base-Base interactions energy: -697.382 where: short stacking energy: -292.362 Base-Backbone interact. energy: -3.275 local terms energy: -294.797744 where: bonds (distance) C4'-P energy: -51.294 bonds (distance) P-C4' energy: -54.267 flat angles C4'-P-C4' energy: -61.539 flat angles P-C4'-P energy: -49.909 tors. eta vs tors. theta energy: -77.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -981.354324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.354324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.354324 (E_RNA) where: Base-Base interactions energy: -677.589 where: short stacking energy: -295.768 Base-Backbone interact. energy: -1.866 local terms energy: -301.898834 where: bonds (distance) C4'-P energy: -53.955 bonds (distance) P-C4' energy: -58.105 flat angles C4'-P-C4' energy: -62.353 flat angles P-C4'-P energy: -48.785 tors. eta vs tors. theta energy: -78.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -917.580530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.580530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.580530 (E_RNA) where: Base-Base interactions energy: -615.183 where: short stacking energy: -254.982 Base-Backbone interact. energy: -0.329 local terms energy: -302.068255 where: bonds (distance) C4'-P energy: -57.473 bonds (distance) P-C4' energy: -68.342 flat angles C4'-P-C4' energy: -60.864 flat angles P-C4'-P energy: -45.878 tors. eta vs tors. theta energy: -69.510 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: 386 Temperature: 1.200000 Total energy: -875.625087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.625087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.625087 (E_RNA) where: Base-Base interactions energy: -609.465 where: short stacking energy: -260.199 Base-Backbone interact. energy: 1.374 local terms energy: -267.534008 where: bonds (distance) C4'-P energy: -53.244 bonds (distance) P-C4' energy: -50.542 flat angles C4'-P-C4' energy: -65.258 flat angles P-C4'-P energy: -32.751 tors. eta vs tors. theta energy: -65.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -796.647217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.647217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.647217 (E_RNA) where: Base-Base interactions energy: -541.544 where: short stacking energy: -236.032 Base-Backbone interact. energy: -1.741 local terms energy: -253.362315 where: bonds (distance) C4'-P energy: -46.227 bonds (distance) P-C4' energy: -53.152 flat angles C4'-P-C4' energy: -63.709 flat angles P-C4'-P energy: -31.997 tors. eta vs tors. theta energy: -58.277 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: 386 Temperature: 1.300000 Total energy: -739.388457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.388457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.388457 (E_RNA) where: Base-Base interactions energy: -493.391 where: short stacking energy: -224.817 Base-Backbone interact. energy: -1.331 local terms energy: -244.666392 where: bonds (distance) C4'-P energy: -54.961 bonds (distance) P-C4' energy: -56.731 flat angles C4'-P-C4' energy: -59.390 flat angles P-C4'-P energy: -30.386 tors. eta vs tors. theta energy: -43.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -714.140270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.140270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.140270 (E_RNA) where: Base-Base interactions energy: -464.843 where: short stacking energy: -205.310 Base-Backbone interact. energy: 1.824 local terms energy: -251.120967 where: bonds (distance) C4'-P energy: -63.448 bonds (distance) P-C4' energy: -55.001 flat angles C4'-P-C4' energy: -52.104 flat angles P-C4'-P energy: -35.293 tors. eta vs tors. theta energy: -45.276 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: 10 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1208.672116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.672116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.672116 (E_RNA) where: Base-Base interactions energy: -849.127 where: short stacking energy: -368.248 Base-Backbone interact. energy: -1.631 local terms energy: -357.914770 where: bonds (distance) C4'-P energy: -62.061 bonds (distance) P-C4' energy: -70.632 flat angles C4'-P-C4' energy: -70.416 flat angles P-C4'-P energy: -58.731 tors. eta vs tors. theta energy: -96.076 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: 4 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1173.590559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.590559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.590559 (E_RNA) where: Base-Base interactions energy: -816.488 where: short stacking energy: -354.347 Base-Backbone interact. energy: -1.842 local terms energy: -355.260311 where: bonds (distance) C4'-P energy: -66.504 bonds (distance) P-C4' energy: -61.135 flat angles C4'-P-C4' energy: -75.011 flat angles P-C4'-P energy: -46.802 tors. eta vs tors. theta energy: -105.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1097.839586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.839586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.839586 (E_RNA) where: Base-Base interactions energy: -778.552 where: short stacking energy: -317.686 Base-Backbone interact. energy: -3.551 local terms energy: -315.736734 where: bonds (distance) C4'-P energy: -56.238 bonds (distance) P-C4' energy: -59.748 flat angles C4'-P-C4' energy: -66.619 flat angles P-C4'-P energy: -59.686 tors. eta vs tors. theta energy: -73.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -985.685037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.685037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.685037 (E_RNA) where: Base-Base interactions energy: -691.661 where: short stacking energy: -310.597 Base-Backbone interact. energy: -0.528 local terms energy: -293.496458 where: bonds (distance) C4'-P energy: -55.811 bonds (distance) P-C4' energy: -57.763 flat angles C4'-P-C4' energy: -54.638 flat angles P-C4'-P energy: -48.995 tors. eta vs tors. theta energy: -76.290 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: 6 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -987.359345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.359345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.359345 (E_RNA) where: Base-Base interactions energy: -679.824 where: short stacking energy: -281.298 Base-Backbone interact. energy: -2.038 local terms energy: -305.497709 where: bonds (distance) C4'-P energy: -63.519 bonds (distance) P-C4' energy: -59.179 flat angles C4'-P-C4' energy: -67.563 flat angles P-C4'-P energy: -39.181 tors. eta vs tors. theta energy: -76.056 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: 9 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -937.005775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.005775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.005775 (E_RNA) where: Base-Base interactions energy: -670.131 where: short stacking energy: -290.616 Base-Backbone interact. energy: 1.779 local terms energy: -268.653586 where: bonds (distance) C4'-P energy: -50.046 bonds (distance) P-C4' energy: -48.041 flat angles C4'-P-C4' energy: -56.024 flat angles P-C4'-P energy: -40.653 tors. eta vs tors. theta energy: -73.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -911.835675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.835675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.835675 (E_RNA) where: Base-Base interactions energy: -634.451 where: short stacking energy: -270.170 Base-Backbone interact. energy: 2.240 local terms energy: -279.624781 where: bonds (distance) C4'-P energy: -57.886 bonds (distance) P-C4' energy: -59.428 flat angles C4'-P-C4' energy: -61.007 flat angles P-C4'-P energy: -38.410 tors. eta vs tors. theta energy: -62.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -798.976854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.976854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.976854 (E_RNA) where: Base-Base interactions energy: -533.755 where: short stacking energy: -246.248 Base-Backbone interact. energy: -1.548 local terms energy: -263.673829 where: bonds (distance) C4'-P energy: -48.165 bonds (distance) P-C4' energy: -68.338 flat angles C4'-P-C4' energy: -56.952 flat angles P-C4'-P energy: -38.094 tors. eta vs tors. theta energy: -52.125 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: 387 Temperature: 1.300000 Total energy: -740.602383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.602383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.602383 (E_RNA) where: Base-Base interactions energy: -488.891 where: short stacking energy: -223.063 Base-Backbone interact. energy: -1.273 local terms energy: -250.438117 where: bonds (distance) C4'-P energy: -52.133 bonds (distance) P-C4' energy: -57.899 flat angles C4'-P-C4' energy: -55.512 flat angles P-C4'-P energy: -34.268 tors. eta vs tors. theta energy: -50.626 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: 2 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -675.656742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.656742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.656742 (E_RNA) where: Base-Base interactions energy: -449.827 where: short stacking energy: -189.312 Base-Backbone interact. energy: -2.219 local terms energy: -223.611077 where: bonds (distance) C4'-P energy: -49.575 bonds (distance) P-C4' energy: -55.424 flat angles C4'-P-C4' energy: -52.290 flat angles P-C4'-P energy: -34.110 tors. eta vs tors. theta energy: -32.213 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: 10 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1215.796061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.796061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.796061 (E_RNA) where: Base-Base interactions energy: -862.998 where: short stacking energy: -366.584 Base-Backbone interact. energy: -1.301 local terms energy: -351.496388 where: bonds (distance) C4'-P energy: -66.455 bonds (distance) P-C4' energy: -62.560 flat angles C4'-P-C4' energy: -70.960 flat angles P-C4'-P energy: -59.976 tors. eta vs tors. theta energy: -91.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1151.963471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.963471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.963471 (E_RNA) where: Base-Base interactions energy: -788.911 where: short stacking energy: -362.317 Base-Backbone interact. energy: -2.684 local terms energy: -360.367685 where: bonds (distance) C4'-P energy: -63.330 bonds (distance) P-C4' energy: -66.341 flat angles C4'-P-C4' energy: -71.903 flat angles P-C4'-P energy: -51.028 tors. eta vs tors. theta energy: -107.765 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: 1 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1110.382910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.382910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.382910 (E_RNA) where: Base-Base interactions energy: -786.653 where: short stacking energy: -323.109 Base-Backbone interact. energy: 0.629 local terms energy: -324.359207 where: bonds (distance) C4'-P energy: -59.651 bonds (distance) P-C4' energy: -66.025 flat angles C4'-P-C4' energy: -73.401 flat angles P-C4'-P energy: -46.799 tors. eta vs tors. theta energy: -78.482 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: 5 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1001.731885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.731885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.731885 (E_RNA) where: Base-Base interactions energy: -712.520 where: short stacking energy: -290.318 Base-Backbone interact. energy: -1.068 local terms energy: -288.144418 where: bonds (distance) C4'-P energy: -49.288 bonds (distance) P-C4' energy: -65.106 flat angles C4'-P-C4' energy: -66.515 flat angles P-C4'-P energy: -38.608 tors. eta vs tors. theta energy: -68.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -995.071965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.071965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.071965 (E_RNA) where: Base-Base interactions energy: -721.164 where: short stacking energy: -286.160 Base-Backbone interact. energy: -2.844 local terms energy: -271.064648 where: bonds (distance) C4'-P energy: -51.107 bonds (distance) P-C4' energy: -44.498 flat angles C4'-P-C4' energy: -63.104 flat angles P-C4'-P energy: -36.075 tors. eta vs tors. theta energy: -76.281 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: 6, replica: 9 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -949.836536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.836536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.836536 (E_RNA) where: Base-Base interactions energy: -656.784 where: short stacking energy: -287.197 Base-Backbone interact. energy: -2.066 local terms energy: -290.986629 where: bonds (distance) C4'-P energy: -63.563 bonds (distance) P-C4' energy: -60.580 flat angles C4'-P-C4' energy: -57.428 flat angles P-C4'-P energy: -42.205 tors. eta vs tors. theta energy: -67.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -918.590494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.590494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.590494 (E_RNA) where: Base-Base interactions energy: -645.781 where: short stacking energy: -256.230 Base-Backbone interact. energy: -1.271 local terms energy: -271.539340 where: bonds (distance) C4'-P energy: -53.372 bonds (distance) P-C4' energy: -64.139 flat angles C4'-P-C4' energy: -57.593 flat angles P-C4'-P energy: -40.433 tors. eta vs tors. theta energy: -56.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -759.885081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.885081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.885081 (E_RNA) where: Base-Base interactions energy: -519.005 where: short stacking energy: -213.612 Base-Backbone interact. energy: -0.687 local terms energy: -240.193114 where: bonds (distance) C4'-P energy: -47.413 bonds (distance) P-C4' energy: -53.548 flat angles C4'-P-C4' energy: -55.309 flat angles P-C4'-P energy: -40.909 tors. eta vs tors. theta energy: -43.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -708.528450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.528450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.528450 (E_RNA) where: Base-Base interactions energy: -473.851 where: short stacking energy: -202.028 Base-Backbone interact. energy: -2.646 local terms energy: -232.031600 where: bonds (distance) C4'-P energy: -56.138 bonds (distance) P-C4' energy: -50.739 flat angles C4'-P-C4' energy: -61.001 flat angles P-C4'-P energy: -28.537 tors. eta vs tors. theta energy: -35.616 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: 2 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -630.518786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.518786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.518786 (E_RNA) where: Base-Base interactions energy: -406.131 where: short stacking energy: -197.832 Base-Backbone interact. energy: 2.532 local terms energy: -226.919207 where: bonds (distance) C4'-P energy: -39.354 bonds (distance) P-C4' energy: -57.163 flat angles C4'-P-C4' energy: -52.280 flat angles P-C4'-P energy: -30.256 tors. eta vs tors. theta energy: -47.866 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: 10 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1221.896252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.896252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.896252 (E_RNA) where: Base-Base interactions energy: -873.408 where: short stacking energy: -371.410 Base-Backbone interact. energy: -3.421 local terms energy: -345.066446 where: bonds (distance) C4'-P energy: -59.543 bonds (distance) P-C4' energy: -66.106 flat angles C4'-P-C4' energy: -73.722 flat angles P-C4'-P energy: -48.957 tors. eta vs tors. theta energy: -96.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1185.675207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.675207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.675207 (E_RNA) where: Base-Base interactions energy: -828.280 where: short stacking energy: -373.647 Base-Backbone interact. energy: -1.227 local terms energy: -356.168687 where: bonds (distance) C4'-P energy: -68.294 bonds (distance) P-C4' energy: -58.679 flat angles C4'-P-C4' energy: -76.689 flat angles P-C4'-P energy: -48.337 tors. eta vs tors. theta energy: -104.170 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: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1115.926083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.926083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.926083 (E_RNA) where: Base-Base interactions energy: -774.108 where: short stacking energy: -311.791 Base-Backbone interact. energy: -3.591 local terms energy: -338.226427 where: bonds (distance) C4'-P energy: -67.461 bonds (distance) P-C4' energy: -66.604 flat angles C4'-P-C4' energy: -75.108 flat angles P-C4'-P energy: -47.115 tors. eta vs tors. theta energy: -81.939 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: 5 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1022.299242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.299242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.299242 (E_RNA) where: Base-Base interactions energy: -717.681 where: short stacking energy: -306.114 Base-Backbone interact. energy: -1.028 local terms energy: -303.590148 where: bonds (distance) C4'-P energy: -53.014 bonds (distance) P-C4' energy: -62.395 flat angles C4'-P-C4' energy: -71.444 flat angles P-C4'-P energy: -45.548 tors. eta vs tors. theta energy: -71.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -996.591453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.591453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.591453 (E_RNA) where: Base-Base interactions energy: -707.078 where: short stacking energy: -275.950 Base-Backbone interact. energy: -1.140 local terms energy: -288.373916 where: bonds (distance) C4'-P energy: -54.242 bonds (distance) P-C4' energy: -55.477 flat angles C4'-P-C4' energy: -60.496 flat angles P-C4'-P energy: -42.553 tors. eta vs tors. theta energy: -75.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -962.427966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.427966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.427966 (E_RNA) where: Base-Base interactions energy: -701.742 where: short stacking energy: -299.434 Base-Backbone interact. energy: -1.057 local terms energy: -259.629076 where: bonds (distance) C4'-P energy: -38.964 bonds (distance) P-C4' energy: -52.104 flat angles C4'-P-C4' energy: -58.888 flat angles P-C4'-P energy: -44.782 tors. eta vs tors. theta energy: -64.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -860.404820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.404820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.404820 (E_RNA) where: Base-Base interactions energy: -587.255 where: short stacking energy: -240.019 Base-Backbone interact. energy: -1.222 local terms energy: -271.927429 where: bonds (distance) C4'-P energy: -63.744 bonds (distance) P-C4' energy: -52.265 flat angles C4'-P-C4' energy: -62.999 flat angles P-C4'-P energy: -40.403 tors. eta vs tors. theta energy: -52.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -750.405713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.405713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.405713 (E_RNA) where: Base-Base interactions energy: -502.553 where: short stacking energy: -231.982 Base-Backbone interact. energy: -1.185 local terms energy: -246.667568 where: bonds (distance) C4'-P energy: -51.857 bonds (distance) P-C4' energy: -56.186 flat angles C4'-P-C4' energy: -63.213 flat angles P-C4'-P energy: -24.896 tors. eta vs tors. theta energy: -50.515 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: 9, replica: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -757.383495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.383495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.383495 (E_RNA) where: Base-Base interactions energy: -507.498 where: short stacking energy: -233.286 Base-Backbone interact. energy: -0.101 local terms energy: -249.784333 where: bonds (distance) C4'-P energy: -50.621 bonds (distance) P-C4' energy: -62.355 flat angles C4'-P-C4' energy: -53.867 flat angles P-C4'-P energy: -32.211 tors. eta vs tors. theta energy: -50.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -650.957422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.957422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.957422 (E_RNA) where: Base-Base interactions energy: -423.102 where: short stacking energy: -178.980 Base-Backbone interact. energy: -1.381 local terms energy: -226.474648 where: bonds (distance) C4'-P energy: -52.338 bonds (distance) P-C4' energy: -57.221 flat angles C4'-P-C4' energy: -58.102 flat angles P-C4'-P energy: -24.716 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: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1218.000337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.000337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.000337 (E_RNA) where: Base-Base interactions energy: -864.345 where: short stacking energy: -356.761 Base-Backbone interact. energy: -1.190 local terms energy: -352.464706 where: bonds (distance) C4'-P energy: -71.039 bonds (distance) P-C4' energy: -62.063 flat angles C4'-P-C4' energy: -74.740 flat angles P-C4'-P energy: -51.150 tors. eta vs tors. theta energy: -93.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1171.296712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.296712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.296712 (E_RNA) where: Base-Base interactions energy: -817.565 where: short stacking energy: -359.600 Base-Backbone interact. energy: -3.536 local terms energy: -350.195422 where: bonds (distance) C4'-P energy: -63.922 bonds (distance) P-C4' energy: -60.960 flat angles C4'-P-C4' energy: -74.902 flat angles P-C4'-P energy: -47.592 tors. eta vs tors. theta energy: -102.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1098.944475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.944475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.944475 (E_RNA) where: Base-Base interactions energy: -792.408 where: short stacking energy: -303.455 Base-Backbone interact. energy: -0.835 local terms energy: -305.702185 where: bonds (distance) C4'-P energy: -56.720 bonds (distance) P-C4' energy: -59.885 flat angles C4'-P-C4' energy: -70.188 flat angles P-C4'-P energy: -49.922 tors. eta vs tors. theta energy: -68.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1015.912724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.912724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.912724 (E_RNA) where: Base-Base interactions energy: -719.433 where: short stacking energy: -282.410 Base-Backbone interact. energy: -1.761 local terms energy: -294.718433 where: bonds (distance) C4'-P energy: -61.314 bonds (distance) P-C4' energy: -58.086 flat angles C4'-P-C4' energy: -57.292 flat angles P-C4'-P energy: -43.944 tors. eta vs tors. theta energy: -74.082 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: 9 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -968.481907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.481907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.481907 (E_RNA) where: Base-Base interactions energy: -679.346 where: short stacking energy: -301.924 Base-Backbone interact. energy: -0.497 local terms energy: -288.639552 where: bonds (distance) C4'-P energy: -61.671 bonds (distance) P-C4' energy: -53.213 flat angles C4'-P-C4' energy: -59.077 flat angles P-C4'-P energy: -40.918 tors. eta vs tors. theta energy: -73.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -965.048730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.048730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.048730 (E_RNA) where: Base-Base interactions energy: -700.878 where: short stacking energy: -297.113 Base-Backbone interact. energy: 0.121 local terms energy: -264.290982 where: bonds (distance) C4'-P energy: -49.024 bonds (distance) P-C4' energy: -39.774 flat angles C4'-P-C4' energy: -61.906 flat angles P-C4'-P energy: -41.524 tors. eta vs tors. theta energy: -72.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -812.236176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.236176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.236176 (E_RNA) where: Base-Base interactions energy: -548.239 where: short stacking energy: -248.037 Base-Backbone interact. energy: -1.775 local terms energy: -262.222598 where: bonds (distance) C4'-P energy: -43.949 bonds (distance) P-C4' energy: -61.886 flat angles C4'-P-C4' energy: -64.325 flat angles P-C4'-P energy: -33.432 tors. eta vs tors. theta energy: -58.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -882.550753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.550753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.550753 (E_RNA) where: Base-Base interactions energy: -612.620 where: short stacking energy: -260.822 Base-Backbone interact. energy: -1.846 local terms energy: -268.085089 where: bonds (distance) C4'-P energy: -47.901 bonds (distance) P-C4' energy: -51.162 flat angles C4'-P-C4' energy: -67.670 flat angles P-C4'-P energy: -38.876 tors. eta vs tors. theta energy: -62.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -795.775490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.775490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.775490 (E_RNA) where: Base-Base interactions energy: -559.432 where: short stacking energy: -228.076 Base-Backbone interact. energy: -2.263 local terms energy: -234.081012 where: bonds (distance) C4'-P energy: -50.969 bonds (distance) P-C4' energy: -45.523 flat angles C4'-P-C4' energy: -56.859 flat angles P-C4'-P energy: -35.165 tors. eta vs tors. theta energy: -45.565 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: 2 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -634.979616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.979616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.979616 (E_RNA) where: Base-Base interactions energy: -410.114 where: short stacking energy: -201.811 Base-Backbone interact. energy: 4.403 local terms energy: -229.268602 where: bonds (distance) C4'-P energy: -54.819 bonds (distance) P-C4' energy: -47.365 flat angles C4'-P-C4' energy: -54.330 flat angles P-C4'-P energy: -33.481 tors. eta vs tors. theta energy: -39.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1209.345804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.345804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.345804 (E_RNA) where: Base-Base interactions energy: -858.429 where: short stacking energy: -364.733 Base-Backbone interact. energy: -0.387 local terms energy: -350.529828 where: bonds (distance) C4'-P energy: -61.884 bonds (distance) P-C4' energy: -64.658 flat angles C4'-P-C4' energy: -77.163 flat angles P-C4'-P energy: -49.694 tors. eta vs tors. theta energy: -97.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1160.814788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.814788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.814788 (E_RNA) where: Base-Base interactions energy: -822.509 where: short stacking energy: -347.131 Base-Backbone interact. energy: -0.335 local terms energy: -337.970923 where: bonds (distance) C4'-P energy: -63.208 bonds (distance) P-C4' energy: -54.884 flat angles C4'-P-C4' energy: -72.947 flat angles P-C4'-P energy: -47.071 tors. eta vs tors. theta energy: -99.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1106.075439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.075439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.075439 (E_RNA) where: Base-Base interactions energy: -787.100 where: short stacking energy: -318.344 Base-Backbone interact. energy: -0.429 local terms energy: -318.545903 where: bonds (distance) C4'-P energy: -58.430 bonds (distance) P-C4' energy: -71.639 flat angles C4'-P-C4' energy: -64.737 flat angles P-C4'-P energy: -41.433 tors. eta vs tors. theta energy: -82.306 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: 5 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1016.193462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.193462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.193462 (E_RNA) where: Base-Base interactions energy: -712.253 where: short stacking energy: -293.834 Base-Backbone interact. energy: -1.027 local terms energy: -302.914288 where: bonds (distance) C4'-P energy: -53.373 bonds (distance) P-C4' energy: -50.895 flat angles C4'-P-C4' energy: -74.725 flat angles P-C4'-P energy: -47.647 tors. eta vs tors. theta energy: -76.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -982.504263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.504263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.504263 (E_RNA) where: Base-Base interactions energy: -680.462 where: short stacking energy: -309.134 Base-Backbone interact. energy: -0.912 local terms energy: -301.130470 where: bonds (distance) C4'-P energy: -53.478 bonds (distance) P-C4' energy: -61.120 flat angles C4'-P-C4' energy: -64.377 flat angles P-C4'-P energy: -39.903 tors. eta vs tors. theta energy: -82.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -950.197294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.197294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.197294 (E_RNA) where: Base-Base interactions energy: -677.457 where: short stacking energy: -277.142 Base-Backbone interact. energy: 3.204 local terms energy: -275.944159 where: bonds (distance) C4'-P energy: -46.899 bonds (distance) P-C4' energy: -54.237 flat angles C4'-P-C4' energy: -63.018 flat angles P-C4'-P energy: -41.626 tors. eta vs tors. theta energy: -70.164 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: 3 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -773.388521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.388521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.388521 (E_RNA) where: Base-Base interactions energy: -505.065 where: short stacking energy: -225.253 Base-Backbone interact. energy: -0.121 local terms energy: -268.203306 where: bonds (distance) C4'-P energy: -53.192 bonds (distance) P-C4' energy: -62.492 flat angles C4'-P-C4' energy: -60.483 flat angles P-C4'-P energy: -43.554 tors. eta vs tors. theta energy: -48.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -861.581234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.581234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.581234 (E_RNA) where: Base-Base interactions energy: -599.726 where: short stacking energy: -257.273 Base-Backbone interact. energy: 3.481 local terms energy: -265.337041 where: bonds (distance) C4'-P energy: -46.313 bonds (distance) P-C4' energy: -52.407 flat angles C4'-P-C4' energy: -56.407 flat angles P-C4'-P energy: -40.296 tors. eta vs tors. theta energy: -69.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -724.453476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.453476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.453476 (E_RNA) where: Base-Base interactions energy: -503.102 where: short stacking energy: -206.810 Base-Backbone interact. energy: -0.323 local terms energy: -221.028778 where: bonds (distance) C4'-P energy: -50.429 bonds (distance) P-C4' energy: -58.731 flat angles C4'-P-C4' energy: -55.862 flat angles P-C4'-P energy: -14.625 tors. eta vs tors. theta energy: -41.382 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: 10, replica: 2 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -603.690524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.690524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.690524 (E_RNA) where: Base-Base interactions energy: -392.047 where: short stacking energy: -176.034 Base-Backbone interact. energy: 1.963 local terms energy: -213.606365 where: bonds (distance) C4'-P energy: -45.724 bonds (distance) P-C4' energy: -66.401 flat angles C4'-P-C4' energy: -39.035 flat angles P-C4'-P energy: -32.032 tors. eta vs tors. theta energy: -30.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1222.170356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.170356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.170356 (E_RNA) where: Base-Base interactions energy: -852.119 where: short stacking energy: -358.568 Base-Backbone interact. energy: 0.156 local terms energy: -370.207623 where: bonds (distance) C4'-P energy: -68.530 bonds (distance) P-C4' energy: -71.264 flat angles C4'-P-C4' energy: -78.132 flat angles P-C4'-P energy: -55.785 tors. eta vs tors. theta energy: -96.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1157.284938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.284938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.284938 (E_RNA) where: Base-Base interactions energy: -811.124 where: short stacking energy: -343.104 Base-Backbone interact. energy: -1.899 local terms energy: -344.261890 where: bonds (distance) C4'-P energy: -55.552 bonds (distance) P-C4' energy: -69.273 flat angles C4'-P-C4' energy: -73.726 flat angles P-C4'-P energy: -52.668 tors. eta vs tors. theta energy: -93.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1109.256711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.256711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.256711 (E_RNA) where: Base-Base interactions energy: -813.125 where: short stacking energy: -306.435 Base-Backbone interact. energy: -3.287 local terms energy: -292.844052 where: bonds (distance) C4'-P energy: -56.411 bonds (distance) P-C4' energy: -61.192 flat angles C4'-P-C4' energy: -67.170 flat angles P-C4'-P energy: -37.532 tors. eta vs tors. theta energy: -70.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1036.924095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.924095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.924095 (E_RNA) where: Base-Base interactions energy: -730.142 where: short stacking energy: -306.377 Base-Backbone interact. energy: -3.522 local terms energy: -303.260172 where: bonds (distance) C4'-P energy: -57.814 bonds (distance) P-C4' energy: -51.966 flat angles C4'-P-C4' energy: -66.420 flat angles P-C4'-P energy: -45.261 tors. eta vs tors. theta energy: -81.799 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: 9 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -979.517301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.517301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.517301 (E_RNA) where: Base-Base interactions energy: -692.835 where: short stacking energy: -296.429 Base-Backbone interact. energy: -3.636 local terms energy: -283.046760 where: bonds (distance) C4'-P energy: -50.264 bonds (distance) P-C4' energy: -48.349 flat angles C4'-P-C4' energy: -60.853 flat angles P-C4'-P energy: -44.870 tors. eta vs tors. theta energy: -78.710 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: 6 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -951.329262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.329262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.329262 (E_RNA) where: Base-Base interactions energy: -684.265 where: short stacking energy: -279.841 Base-Backbone interact. energy: -1.715 local terms energy: -265.349431 where: bonds (distance) C4'-P energy: -46.697 bonds (distance) P-C4' energy: -54.570 flat angles C4'-P-C4' energy: -57.854 flat angles P-C4'-P energy: -42.188 tors. eta vs tors. theta energy: -64.041 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: 8 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -876.497629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.497629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.497629 (E_RNA) where: Base-Base interactions energy: -604.443 where: short stacking energy: -241.782 Base-Backbone interact. energy: -1.428 local terms energy: -270.627322 where: bonds (distance) C4'-P energy: -49.841 bonds (distance) P-C4' energy: -62.675 flat angles C4'-P-C4' energy: -57.981 flat angles P-C4'-P energy: -32.349 tors. eta vs tors. theta energy: -67.781 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: 3 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -737.599244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.599244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.599244 (E_RNA) where: Base-Base interactions energy: -481.543 where: short stacking energy: -227.767 Base-Backbone interact. energy: 0.944 local terms energy: -257.000823 where: bonds (distance) C4'-P energy: -53.535 bonds (distance) P-C4' energy: -55.141 flat angles C4'-P-C4' energy: -65.583 flat angles P-C4'-P energy: -40.249 tors. eta vs tors. theta energy: -42.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -770.251137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.251137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.251137 (E_RNA) where: Base-Base interactions energy: -520.045 where: short stacking energy: -223.759 Base-Backbone interact. energy: -2.770 local terms energy: -247.436774 where: bonds (distance) C4'-P energy: -54.483 bonds (distance) P-C4' energy: -51.701 flat angles C4'-P-C4' energy: -65.621 flat angles P-C4'-P energy: -35.252 tors. eta vs tors. theta energy: -40.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -619.552268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.552268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.552268 (E_RNA) where: Base-Base interactions energy: -414.601 where: short stacking energy: -178.496 Base-Backbone interact. energy: -1.243 local terms energy: -203.708208 where: bonds (distance) C4'-P energy: -38.198 bonds (distance) P-C4' energy: -52.142 flat angles C4'-P-C4' energy: -57.061 flat angles P-C4'-P energy: -28.793 tors. eta vs tors. theta energy: -27.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1213.747527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.747527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.747527 (E_RNA) where: Base-Base interactions energy: -857.785 where: short stacking energy: -358.416 Base-Backbone interact. energy: 1.243 local terms energy: -357.205095 where: bonds (distance) C4'-P energy: -68.459 bonds (distance) P-C4' energy: -62.630 flat angles C4'-P-C4' energy: -74.065 flat angles P-C4'-P energy: -57.439 tors. eta vs tors. theta energy: -94.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1143.318013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.318013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.318013 (E_RNA) where: Base-Base interactions energy: -825.038 where: short stacking energy: -306.988 Base-Backbone interact. energy: -1.983 local terms energy: -316.297417 where: bonds (distance) C4'-P energy: -58.455 bonds (distance) P-C4' energy: -59.129 flat angles C4'-P-C4' energy: -74.751 flat angles P-C4'-P energy: -49.360 tors. eta vs tors. theta energy: -74.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1132.079348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.079348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.079348 (E_RNA) where: Base-Base interactions energy: -788.143 where: short stacking energy: -345.737 Base-Backbone interact. energy: -0.058 local terms energy: -343.877995 where: bonds (distance) C4'-P energy: -65.534 bonds (distance) P-C4' energy: -65.654 flat angles C4'-P-C4' energy: -66.385 flat angles P-C4'-P energy: -49.283 tors. eta vs tors. theta energy: -97.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1038.882951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.882951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.882951 (E_RNA) where: Base-Base interactions energy: -737.743 where: short stacking energy: -321.284 Base-Backbone interact. energy: -2.043 local terms energy: -299.097339 where: bonds (distance) C4'-P energy: -49.020 bonds (distance) P-C4' energy: -47.357 flat angles C4'-P-C4' energy: -68.630 flat angles P-C4'-P energy: -48.843 tors. eta vs tors. theta energy: -85.248 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: 5, replica: 9 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -982.360983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.360983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.360983 (E_RNA) where: Base-Base interactions energy: -679.072 where: short stacking energy: -282.580 Base-Backbone interact. energy: 3.363 local terms energy: -306.651498 where: bonds (distance) C4'-P energy: -58.096 bonds (distance) P-C4' energy: -58.157 flat angles C4'-P-C4' energy: -62.687 flat angles P-C4'-P energy: -54.720 tors. eta vs tors. theta energy: -72.992 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: 8 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -893.339202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.339202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.339202 (E_RNA) where: Base-Base interactions energy: -617.774 where: short stacking energy: -263.435 Base-Backbone interact. energy: -1.490 local terms energy: -274.074798 where: bonds (distance) C4'-P energy: -49.514 bonds (distance) P-C4' energy: -57.793 flat angles C4'-P-C4' energy: -66.139 flat angles P-C4'-P energy: -41.200 tors. eta vs tors. theta energy: -59.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -902.449337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.449337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.449337 (E_RNA) where: Base-Base interactions energy: -638.920 where: short stacking energy: -275.689 Base-Backbone interact. energy: -0.819 local terms energy: -262.709777 where: bonds (distance) C4'-P energy: -48.908 bonds (distance) P-C4' energy: -42.139 flat angles C4'-P-C4' energy: -57.907 flat angles P-C4'-P energy: -47.517 tors. eta vs tors. theta energy: -66.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -766.402100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.402100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.402100 (E_RNA) where: Base-Base interactions energy: -515.381 where: short stacking energy: -229.593 Base-Backbone interact. energy: -0.172 local terms energy: -250.848482 where: bonds (distance) C4'-P energy: -51.792 bonds (distance) P-C4' energy: -60.874 flat angles C4'-P-C4' energy: -58.705 flat angles P-C4'-P energy: -32.327 tors. eta vs tors. theta energy: -47.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -709.140349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.140349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.140349 (E_RNA) where: Base-Base interactions energy: -460.923 where: short stacking energy: -196.350 Base-Backbone interact. energy: 0.807 local terms energy: -249.023743 where: bonds (distance) C4'-P energy: -60.086 bonds (distance) P-C4' energy: -39.058 flat angles C4'-P-C4' energy: -59.230 flat angles P-C4'-P energy: -40.708 tors. eta vs tors. theta energy: -49.942 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: 2 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -596.738281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.738281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.738281 (E_RNA) where: Base-Base interactions energy: -382.519 where: short stacking energy: -159.466 Base-Backbone interact. energy: 1.843 local terms energy: -216.062124 where: bonds (distance) C4'-P energy: -49.915 bonds (distance) P-C4' energy: -54.627 flat angles C4'-P-C4' energy: -51.880 flat angles P-C4'-P energy: -31.194 tors. eta vs tors. theta energy: -28.446 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: 10 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1214.601388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.601388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.601388 (E_RNA) where: Base-Base interactions energy: -865.371 where: short stacking energy: -368.866 Base-Backbone interact. energy: -2.192 local terms energy: -347.038229 where: bonds (distance) C4'-P energy: -60.302 bonds (distance) P-C4' energy: -64.815 flat angles C4'-P-C4' energy: -77.487 flat angles P-C4'-P energy: -46.639 tors. eta vs tors. theta energy: -97.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1136.309833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.309833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.309833 (E_RNA) where: Base-Base interactions energy: -828.018 where: short stacking energy: -314.570 Base-Backbone interact. energy: -0.178 local terms energy: -308.114025 where: bonds (distance) C4'-P energy: -60.978 bonds (distance) P-C4' energy: -62.953 flat angles C4'-P-C4' energy: -68.269 flat angles P-C4'-P energy: -45.184 tors. eta vs tors. theta energy: -70.730 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: 4 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1147.178231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.178231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.178231 (E_RNA) where: Base-Base interactions energy: -799.659 where: short stacking energy: -345.438 Base-Backbone interact. energy: -1.221 local terms energy: -346.298361 where: bonds (distance) C4'-P energy: -61.388 bonds (distance) P-C4' energy: -65.910 flat angles C4'-P-C4' energy: -69.082 flat angles P-C4'-P energy: -52.977 tors. eta vs tors. theta energy: -96.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1038.732983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.732983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.732983 (E_RNA) where: Base-Base interactions energy: -743.203 where: short stacking energy: -312.460 Base-Backbone interact. energy: -2.611 local terms energy: -292.918979 where: bonds (distance) C4'-P energy: -55.260 bonds (distance) P-C4' energy: -52.128 flat angles C4'-P-C4' energy: -59.513 flat angles P-C4'-P energy: -37.365 tors. eta vs tors. theta energy: -88.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -997.064457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.064457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.064457 (E_RNA) where: Base-Base interactions energy: -681.342 where: short stacking energy: -308.892 Base-Backbone interact. energy: -0.675 local terms energy: -315.047050 where: bonds (distance) C4'-P energy: -55.011 bonds (distance) P-C4' energy: -53.350 flat angles C4'-P-C4' energy: -67.946 flat angles P-C4'-P energy: -59.051 tors. eta vs tors. theta energy: -79.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -900.371611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.371611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.371611 (E_RNA) where: Base-Base interactions energy: -616.484 where: short stacking energy: -257.811 Base-Backbone interact. energy: -1.252 local terms energy: -282.635528 where: bonds (distance) C4'-P energy: -54.084 bonds (distance) P-C4' energy: -60.108 flat angles C4'-P-C4' energy: -62.462 flat angles P-C4'-P energy: -47.697 tors. eta vs tors. theta energy: -58.284 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: 7, replica: 6 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -910.120915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.120915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.120915 (E_RNA) where: Base-Base interactions energy: -629.901 where: short stacking energy: -272.479 Base-Backbone interact. energy: -2.733 local terms energy: -277.486966 where: bonds (distance) C4'-P energy: -57.553 bonds (distance) P-C4' energy: -54.444 flat angles C4'-P-C4' energy: -65.949 flat angles P-C4'-P energy: -32.580 tors. eta vs tors. theta energy: -66.960 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: 394 Temperature: 1.250000 Total energy: -764.905234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.905234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.905234 (E_RNA) where: Base-Base interactions energy: -510.619 where: short stacking energy: -225.111 Base-Backbone interact. energy: -3.133 local terms energy: -251.154032 where: bonds (distance) C4'-P energy: -50.371 bonds (distance) P-C4' energy: -51.445 flat angles C4'-P-C4' energy: -49.194 flat angles P-C4'-P energy: -43.732 tors. eta vs tors. theta energy: -56.413 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: 394 Temperature: 1.300000 Total energy: -761.754313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.754313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.754313 (E_RNA) where: Base-Base interactions energy: -525.997 where: short stacking energy: -227.028 Base-Backbone interact. energy: -1.031 local terms energy: -234.726241 where: bonds (distance) C4'-P energy: -38.716 bonds (distance) P-C4' energy: -58.109 flat angles C4'-P-C4' energy: -47.530 flat angles P-C4'-P energy: -37.703 tors. eta vs tors. theta energy: -52.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -604.761028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.761028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.761028 (E_RNA) where: Base-Base interactions energy: -399.552 where: short stacking energy: -178.691 Base-Backbone interact. energy: -1.441 local terms energy: -203.768588 where: bonds (distance) C4'-P energy: -42.946 bonds (distance) P-C4' energy: -51.979 flat angles C4'-P-C4' energy: -50.931 flat angles P-C4'-P energy: -33.819 tors. eta vs tors. theta energy: -24.093 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: 1, replica: 10 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1207.423590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.423590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.423590 (E_RNA) where: Base-Base interactions energy: -862.555 where: short stacking energy: -363.304 Base-Backbone interact. energy: -1.756 local terms energy: -343.112643 where: bonds (distance) C4'-P energy: -62.433 bonds (distance) P-C4' energy: -63.940 flat angles C4'-P-C4' energy: -70.689 flat angles P-C4'-P energy: -54.389 tors. eta vs tors. theta energy: -91.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1143.221830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.221830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.221830 (E_RNA) where: Base-Base interactions energy: -803.441 where: short stacking energy: -365.129 Base-Backbone interact. energy: -0.870 local terms energy: -338.911203 where: bonds (distance) C4'-P energy: -63.813 bonds (distance) P-C4' energy: -64.367 flat angles C4'-P-C4' energy: -66.251 flat angles P-C4'-P energy: -47.602 tors. eta vs tors. theta energy: -96.878 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: 1 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1105.764614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.764614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.764614 (E_RNA) where: Base-Base interactions energy: -794.802 where: short stacking energy: -309.732 Base-Backbone interact. energy: -1.092 local terms energy: -309.870075 where: bonds (distance) C4'-P energy: -61.685 bonds (distance) P-C4' energy: -61.075 flat angles C4'-P-C4' energy: -73.980 flat angles P-C4'-P energy: -39.290 tors. eta vs tors. theta energy: -73.840 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: 5 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1042.129752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.129752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.129752 (E_RNA) where: Base-Base interactions energy: -739.052 where: short stacking energy: -327.613 Base-Backbone interact. energy: 1.388 local terms energy: -304.466104 where: bonds (distance) C4'-P energy: -53.165 bonds (distance) P-C4' energy: -55.496 flat angles C4'-P-C4' energy: -67.360 flat angles P-C4'-P energy: -42.149 tors. eta vs tors. theta energy: -86.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -955.775068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.775068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.775068 (E_RNA) where: Base-Base interactions energy: -659.326 where: short stacking energy: -302.873 Base-Backbone interact. energy: -2.198 local terms energy: -294.251011 where: bonds (distance) C4'-P energy: -66.203 bonds (distance) P-C4' energy: -59.251 flat angles C4'-P-C4' energy: -59.038 flat angles P-C4'-P energy: -37.841 tors. eta vs tors. theta energy: -71.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -890.230535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.230535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.230535 (E_RNA) where: Base-Base interactions energy: -609.496 where: short stacking energy: -265.894 Base-Backbone interact. energy: -0.725 local terms energy: -280.010175 where: bonds (distance) C4'-P energy: -60.070 bonds (distance) P-C4' energy: -51.898 flat angles C4'-P-C4' energy: -69.675 flat angles P-C4'-P energy: -39.201 tors. eta vs tors. theta energy: -59.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -909.406663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.406663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.406663 (E_RNA) where: Base-Base interactions energy: -632.516 where: short stacking energy: -262.927 Base-Backbone interact. energy: 0.444 local terms energy: -277.335590 where: bonds (distance) C4'-P energy: -58.317 bonds (distance) P-C4' energy: -39.423 flat angles C4'-P-C4' energy: -64.751 flat angles P-C4'-P energy: -37.520 tors. eta vs tors. theta energy: -77.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -805.408646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.408646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.408646 (E_RNA) where: Base-Base interactions energy: -546.395 where: short stacking energy: -235.655 Base-Backbone interact. energy: -0.287 local terms energy: -258.727187 where: bonds (distance) C4'-P energy: -62.746 bonds (distance) P-C4' energy: -57.738 flat angles C4'-P-C4' energy: -50.533 flat angles P-C4'-P energy: -34.681 tors. eta vs tors. theta energy: -53.029 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: 7 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -733.990224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.990224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.990224 (E_RNA) where: Base-Base interactions energy: -505.789 where: short stacking energy: -218.574 Base-Backbone interact. energy: -0.717 local terms energy: -227.484158 where: bonds (distance) C4'-P energy: -51.307 bonds (distance) P-C4' energy: -44.199 flat angles C4'-P-C4' energy: -59.300 flat angles P-C4'-P energy: -26.814 tors. eta vs tors. theta energy: -45.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -642.630400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.630400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.630400 (E_RNA) where: Base-Base interactions energy: -412.330 where: short stacking energy: -192.956 Base-Backbone interact. energy: 0.965 local terms energy: -231.266141 where: bonds (distance) C4'-P energy: -48.509 bonds (distance) P-C4' energy: -65.305 flat angles C4'-P-C4' energy: -55.830 flat angles P-C4'-P energy: -22.535 tors. eta vs tors. theta energy: -39.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1217.988821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.988821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.988821 (E_RNA) where: Base-Base interactions energy: -872.348 where: short stacking energy: -369.001 Base-Backbone interact. energy: -1.461 local terms energy: -344.180278 where: bonds (distance) C4'-P energy: -68.520 bonds (distance) P-C4' energy: -60.041 flat angles C4'-P-C4' energy: -76.144 flat angles P-C4'-P energy: -44.375 tors. eta vs tors. theta energy: -95.100 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: 4 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1135.348714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.348714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.348714 (E_RNA) where: Base-Base interactions energy: -795.103 where: short stacking energy: -347.167 Base-Backbone interact. energy: -1.125 local terms energy: -339.121183 where: bonds (distance) C4'-P energy: -54.970 bonds (distance) P-C4' energy: -66.221 flat angles C4'-P-C4' energy: -64.883 flat angles P-C4'-P energy: -53.998 tors. eta vs tors. theta energy: -99.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1119.971615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.971615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.971615 (E_RNA) where: Base-Base interactions energy: -804.539 where: short stacking energy: -311.627 Base-Backbone interact. energy: -0.387 local terms energy: -315.046158 where: bonds (distance) C4'-P energy: -59.880 bonds (distance) P-C4' energy: -64.642 flat angles C4'-P-C4' energy: -72.837 flat angles P-C4'-P energy: -54.878 tors. eta vs tors. theta energy: -62.808 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: 5 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1055.668301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.668301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.668301 (E_RNA) where: Base-Base interactions energy: -751.485 where: short stacking energy: -319.134 Base-Backbone interact. energy: -2.708 local terms energy: -301.475165 where: bonds (distance) C4'-P energy: -60.827 bonds (distance) P-C4' energy: -44.384 flat angles C4'-P-C4' energy: -70.471 flat angles P-C4'-P energy: -42.342 tors. eta vs tors. theta energy: -83.451 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: 9 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -990.543626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.543626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.543626 (E_RNA) where: Base-Base interactions energy: -682.818 where: short stacking energy: -296.598 Base-Backbone interact. energy: -1.742 local terms energy: -305.983879 where: bonds (distance) C4'-P energy: -68.455 bonds (distance) P-C4' energy: -62.007 flat angles C4'-P-C4' energy: -60.596 flat angles P-C4'-P energy: -40.648 tors. eta vs tors. theta energy: -74.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -898.560759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.560759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.560759 (E_RNA) where: Base-Base interactions energy: -620.748 where: short stacking energy: -267.854 Base-Backbone interact. energy: -1.462 local terms energy: -276.350743 where: bonds (distance) C4'-P energy: -54.498 bonds (distance) P-C4' energy: -63.951 flat angles C4'-P-C4' energy: -62.663 flat angles P-C4'-P energy: -35.994 tors. eta vs tors. theta energy: -59.245 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: 6 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -862.988458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.988458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.988458 (E_RNA) where: Base-Base interactions energy: -593.093 where: short stacking energy: -242.156 Base-Backbone interact. energy: -2.630 local terms energy: -267.265164 where: bonds (distance) C4'-P energy: -48.956 bonds (distance) P-C4' energy: -58.989 flat angles C4'-P-C4' energy: -65.998 flat angles P-C4'-P energy: -42.607 tors. eta vs tors. theta energy: -50.715 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: 3 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -770.109575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.109575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.109575 (E_RNA) where: Base-Base interactions energy: -521.043 where: short stacking energy: -220.382 Base-Backbone interact. energy: -0.061 local terms energy: -249.005528 where: bonds (distance) C4'-P energy: -58.395 bonds (distance) P-C4' energy: -52.225 flat angles C4'-P-C4' energy: -63.723 flat angles P-C4'-P energy: -35.155 tors. eta vs tors. theta energy: -39.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -714.791937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.791937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.791937 (E_RNA) where: Base-Base interactions energy: -492.966 where: short stacking energy: -214.121 Base-Backbone interact. energy: 0.467 local terms energy: -222.292620 where: bonds (distance) C4'-P energy: -53.694 bonds (distance) P-C4' energy: -46.207 flat angles C4'-P-C4' energy: -49.915 flat angles P-C4'-P energy: -23.319 tors. eta vs tors. theta energy: -49.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -678.619490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.619490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.619490 (E_RNA) where: Base-Base interactions energy: -447.545 where: short stacking energy: -187.982 Base-Backbone interact. energy: -0.650 local terms energy: -230.424388 where: bonds (distance) C4'-P energy: -56.091 bonds (distance) P-C4' energy: -45.246 flat angles C4'-P-C4' energy: -56.072 flat angles P-C4'-P energy: -33.267 tors. eta vs tors. theta energy: -39.749 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: 10 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1203.116452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.116452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.116452 (E_RNA) where: Base-Base interactions energy: -855.380 where: short stacking energy: -343.771 Base-Backbone interact. energy: -1.667 local terms energy: -346.069675 where: bonds (distance) C4'-P energy: -64.798 bonds (distance) P-C4' energy: -64.232 flat angles C4'-P-C4' energy: -78.033 flat angles P-C4'-P energy: -46.788 tors. eta vs tors. theta energy: -92.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1129.206496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.206496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.206496 (E_RNA) where: Base-Base interactions energy: -824.248 where: short stacking energy: -314.604 Base-Backbone interact. energy: -1.552 local terms energy: -303.406761 where: bonds (distance) C4'-P energy: -52.999 bonds (distance) P-C4' energy: -67.956 flat angles C4'-P-C4' energy: -69.466 flat angles P-C4'-P energy: -48.117 tors. eta vs tors. theta energy: -64.870 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: 4 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1119.551899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.551899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.551899 (E_RNA) where: Base-Base interactions energy: -780.519 where: short stacking energy: -335.821 Base-Backbone interact. energy: -0.827 local terms energy: -338.205847 where: bonds (distance) C4'-P energy: -57.965 bonds (distance) P-C4' energy: -66.094 flat angles C4'-P-C4' energy: -69.883 flat angles P-C4'-P energy: -44.685 tors. eta vs tors. theta energy: -99.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1057.819887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.819887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.819887 (E_RNA) where: Base-Base interactions energy: -755.490 where: short stacking energy: -290.286 Base-Backbone interact. energy: -1.965 local terms energy: -300.364841 where: bonds (distance) C4'-P energy: -54.267 bonds (distance) P-C4' energy: -60.239 flat angles C4'-P-C4' energy: -66.975 flat angles P-C4'-P energy: -44.031 tors. eta vs tors. theta energy: -74.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -940.497252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.497252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.497252 (E_RNA) where: Base-Base interactions energy: -649.309 where: short stacking energy: -281.018 Base-Backbone interact. energy: -0.336 local terms energy: -290.852521 where: bonds (distance) C4'-P energy: -58.547 bonds (distance) P-C4' energy: -53.335 flat angles C4'-P-C4' energy: -62.179 flat angles P-C4'-P energy: -48.036 tors. eta vs tors. theta energy: -68.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -887.927569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.927569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.927569 (E_RNA) where: Base-Base interactions energy: -614.210 where: short stacking energy: -243.588 Base-Backbone interact. energy: -2.813 local terms energy: -270.904946 where: bonds (distance) C4'-P energy: -57.108 bonds (distance) P-C4' energy: -51.153 flat angles C4'-P-C4' energy: -60.944 flat angles P-C4'-P energy: -42.822 tors. eta vs tors. theta energy: -58.878 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: 7, replica: 8 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -873.494982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.494982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.494982 (E_RNA) where: Base-Base interactions energy: -605.623 where: short stacking energy: -269.592 Base-Backbone interact. energy: 0.426 local terms energy: -268.297475 where: bonds (distance) C4'-P energy: -64.334 bonds (distance) P-C4' energy: -53.058 flat angles C4'-P-C4' energy: -53.721 flat angles P-C4'-P energy: -32.783 tors. eta vs tors. theta energy: -64.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -794.220184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.220184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.220184 (E_RNA) where: Base-Base interactions energy: -521.094 where: short stacking energy: -246.081 Base-Backbone interact. energy: -0.419 local terms energy: -272.706266 where: bonds (distance) C4'-P energy: -60.816 bonds (distance) P-C4' energy: -56.840 flat angles C4'-P-C4' energy: -54.826 flat angles P-C4'-P energy: -45.043 tors. eta vs tors. theta energy: -55.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -731.158735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.158735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.158735 (E_RNA) where: Base-Base interactions energy: -490.824 where: short stacking energy: -221.215 Base-Backbone interact. energy: -0.999 local terms energy: -239.336590 where: bonds (distance) C4'-P energy: -49.917 bonds (distance) P-C4' energy: -52.625 flat angles C4'-P-C4' energy: -58.455 flat angles P-C4'-P energy: -24.268 tors. eta vs tors. theta energy: -54.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -635.095038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.095038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.095038 (E_RNA) where: Base-Base interactions energy: -403.968 where: short stacking energy: -176.866 Base-Backbone interact. energy: -1.476 local terms energy: -229.651732 where: bonds (distance) C4'-P energy: -58.249 bonds (distance) P-C4' energy: -46.600 flat angles C4'-P-C4' energy: -60.694 flat angles P-C4'-P energy: -28.277 tors. eta vs tors. theta energy: -35.831 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: 10 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1205.574509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.574509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.574509 (E_RNA) where: Base-Base interactions energy: -845.968 where: short stacking energy: -342.505 Base-Backbone interact. energy: 2.230 local terms energy: -361.836763 where: bonds (distance) C4'-P energy: -64.360 bonds (distance) P-C4' energy: -64.845 flat angles C4'-P-C4' energy: -75.630 flat angles P-C4'-P energy: -60.537 tors. eta vs tors. theta energy: -96.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1132.058028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.058028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.058028 (E_RNA) where: Base-Base interactions energy: -794.402 where: short stacking energy: -314.669 Base-Backbone interact. energy: -2.010 local terms energy: -335.646230 where: bonds (distance) C4'-P energy: -72.410 bonds (distance) P-C4' energy: -66.177 flat angles C4'-P-C4' energy: -76.172 flat angles P-C4'-P energy: -50.598 tors. eta vs tors. theta energy: -70.290 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: 5 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1077.807584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.807584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.807584 (E_RNA) where: Base-Base interactions energy: -741.097 where: short stacking energy: -318.855 Base-Backbone interact. energy: -2.374 local terms energy: -334.336782 where: bonds (distance) C4'-P energy: -69.025 bonds (distance) P-C4' energy: -63.167 flat angles C4'-P-C4' energy: -64.843 flat angles P-C4'-P energy: -48.023 tors. eta vs tors. theta energy: -89.278 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: 398 Temperature: 1.050000 Total energy: -1098.834797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.834797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.834797 (E_RNA) where: Base-Base interactions energy: -766.667 where: short stacking energy: -330.801 Base-Backbone interact. energy: -1.556 local terms energy: -330.611899 where: bonds (distance) C4'-P energy: -59.605 bonds (distance) P-C4' energy: -54.613 flat angles C4'-P-C4' energy: -77.902 flat angles P-C4'-P energy: -42.010 tors. eta vs tors. theta energy: -96.482 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: 9 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -932.188401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.188401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.188401 (E_RNA) where: Base-Base interactions energy: -634.513 where: short stacking energy: -287.485 Base-Backbone interact. energy: 0.365 local terms energy: -298.040671 where: bonds (distance) C4'-P energy: -50.927 bonds (distance) P-C4' energy: -70.253 flat angles C4'-P-C4' energy: -55.928 flat angles P-C4'-P energy: -47.008 tors. eta vs tors. theta energy: -73.924 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: 398 Temperature: 1.150000 Total energy: -878.609963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.609963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.609963 (E_RNA) where: Base-Base interactions energy: -617.428 where: short stacking energy: -273.474 Base-Backbone interact. energy: 4.040 local terms energy: -265.222418 where: bonds (distance) C4'-P energy: -63.009 bonds (distance) P-C4' energy: -55.741 flat angles C4'-P-C4' energy: -57.707 flat angles P-C4'-P energy: -31.608 tors. eta vs tors. theta energy: -57.157 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: 8 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -827.926927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.926927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.926927 (E_RNA) where: Base-Base interactions energy: -565.527 where: short stacking energy: -237.655 Base-Backbone interact. energy: -1.179 local terms energy: -261.221022 where: bonds (distance) C4'-P energy: -55.150 bonds (distance) P-C4' energy: -54.596 flat angles C4'-P-C4' energy: -63.453 flat angles P-C4'-P energy: -43.572 tors. eta vs tors. theta energy: -44.449 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: 3 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -788.341594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.341594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.341594 (E_RNA) where: Base-Base interactions energy: -527.543 where: short stacking energy: -222.517 Base-Backbone interact. energy: -1.160 local terms energy: -259.638819 where: bonds (distance) C4'-P energy: -60.039 bonds (distance) P-C4' energy: -55.934 flat angles C4'-P-C4' energy: -58.192 flat angles P-C4'-P energy: -36.366 tors. eta vs tors. theta energy: -49.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -741.851444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.851444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.851444 (E_RNA) where: Base-Base interactions energy: -484.934 where: short stacking energy: -216.249 Base-Backbone interact. energy: 0.351 local terms energy: -257.267893 where: bonds (distance) C4'-P energy: -48.691 bonds (distance) P-C4' energy: -65.239 flat angles C4'-P-C4' energy: -55.773 flat angles P-C4'-P energy: -42.408 tors. eta vs tors. theta energy: -45.156 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: 2 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -598.712055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.712055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.712055 (E_RNA) where: Base-Base interactions energy: -382.806 where: short stacking energy: -190.641 Base-Backbone interact. energy: 2.697 local terms energy: -218.603284 where: bonds (distance) C4'-P energy: -38.062 bonds (distance) P-C4' energy: -58.126 flat angles C4'-P-C4' energy: -51.387 flat angles P-C4'-P energy: -42.639 tors. eta vs tors. theta energy: -28.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1205.105890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.105890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.105890 (E_RNA) where: Base-Base interactions energy: -872.393 where: short stacking energy: -371.932 Base-Backbone interact. energy: -2.666 local terms energy: -330.046843 where: bonds (distance) C4'-P energy: -58.793 bonds (distance) P-C4' energy: -61.967 flat angles C4'-P-C4' energy: -70.167 flat angles P-C4'-P energy: -44.406 tors. eta vs tors. theta energy: -94.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1137.043780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.043780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.043780 (E_RNA) where: Base-Base interactions energy: -808.274 where: short stacking energy: -319.415 Base-Backbone interact. energy: -1.141 local terms energy: -327.629234 where: bonds (distance) C4'-P energy: -60.396 bonds (distance) P-C4' energy: -63.071 flat angles C4'-P-C4' energy: -74.244 flat angles P-C4'-P energy: -47.696 tors. eta vs tors. theta energy: -82.222 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: 3, replica: 5 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1063.689710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.689710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.689710 (E_RNA) where: Base-Base interactions energy: -757.148 where: short stacking energy: -321.162 Base-Backbone interact. energy: -2.791 local terms energy: -303.750749 where: bonds (distance) C4'-P energy: -54.106 bonds (distance) P-C4' energy: -63.239 flat angles C4'-P-C4' energy: -67.936 flat angles P-C4'-P energy: -36.008 tors. eta vs tors. theta energy: -82.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1072.518202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.518202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.518202 (E_RNA) where: Base-Base interactions energy: -739.347 where: short stacking energy: -309.867 Base-Backbone interact. energy: -0.360 local terms energy: -332.810421 where: bonds (distance) C4'-P energy: -56.576 bonds (distance) P-C4' energy: -63.665 flat angles C4'-P-C4' energy: -72.494 flat angles P-C4'-P energy: -45.976 tors. eta vs tors. theta energy: -94.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -938.448711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.448711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.448711 (E_RNA) where: Base-Base interactions energy: -644.758 where: short stacking energy: -281.537 Base-Backbone interact. energy: 0.961 local terms energy: -294.652135 where: bonds (distance) C4'-P energy: -51.662 bonds (distance) P-C4' energy: -58.413 flat angles C4'-P-C4' energy: -71.361 flat angles P-C4'-P energy: -42.848 tors. eta vs tors. theta energy: -70.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -911.284359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.284359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.284359 (E_RNA) where: Base-Base interactions energy: -628.652 where: short stacking energy: -268.532 Base-Backbone interact. energy: -1.403 local terms energy: -281.229635 where: bonds (distance) C4'-P energy: -52.001 bonds (distance) P-C4' energy: -54.745 flat angles C4'-P-C4' energy: -57.923 flat angles P-C4'-P energy: -48.245 tors. eta vs tors. theta energy: -68.315 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: 6 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -883.501148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.501148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.501148 (E_RNA) where: Base-Base interactions energy: -608.179 where: short stacking energy: -253.214 Base-Backbone interact. energy: 0.766 local terms energy: -276.087741 where: bonds (distance) C4'-P energy: -63.220 bonds (distance) P-C4' energy: -47.613 flat angles C4'-P-C4' energy: -64.099 flat angles P-C4'-P energy: -39.237 tors. eta vs tors. theta energy: -61.919 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: 8, replica: 3 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -772.910644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.910644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.910644 (E_RNA) where: Base-Base interactions energy: -517.681 where: short stacking energy: -228.691 Base-Backbone interact. energy: -1.406 local terms energy: -253.823345 where: bonds (distance) C4'-P energy: -42.050 bonds (distance) P-C4' energy: -54.596 flat angles C4'-P-C4' energy: -63.405 flat angles P-C4'-P energy: -36.547 tors. eta vs tors. theta energy: -57.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -717.934411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.934411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.934411 (E_RNA) where: Base-Base interactions energy: -498.348 where: short stacking energy: -220.093 Base-Backbone interact. energy: 1.332 local terms energy: -220.918736 where: bonds (distance) C4'-P energy: -42.119 bonds (distance) P-C4' energy: -45.327 flat angles C4'-P-C4' energy: -50.779 flat angles P-C4'-P energy: -35.842 tors. eta vs tors. theta energy: -46.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -580.170514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.170514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.170514 (E_RNA) where: Base-Base interactions energy: -374.923 where: short stacking energy: -170.715 Base-Backbone interact. energy: -0.568 local terms energy: -204.679569 where: bonds (distance) C4'-P energy: -52.056 bonds (distance) P-C4' energy: -37.786 flat angles C4'-P-C4' energy: -48.968 flat angles P-C4'-P energy: -43.675 tors. eta vs tors. theta energy: -22.194 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: 10 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1194.883393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.883393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.883393 (E_RNA) where: Base-Base interactions energy: -837.539 where: short stacking energy: -348.465 Base-Backbone interact. energy: 0.836 local terms energy: -358.179922 where: bonds (distance) C4'-P energy: -71.944 bonds (distance) P-C4' energy: -67.711 flat angles C4'-P-C4' energy: -72.994 flat angles P-C4'-P energy: -50.479 tors. eta vs tors. theta energy: -95.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1105.562018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.562018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.562018 (E_RNA) where: Base-Base interactions energy: -806.890 where: short stacking energy: -306.347 Base-Backbone interact. energy: 3.532 local terms energy: -302.203913 where: bonds (distance) C4'-P energy: -53.213 bonds (distance) P-C4' energy: -54.001 flat angles C4'-P-C4' energy: -81.123 flat angles P-C4'-P energy: -44.356 tors. eta vs tors. theta energy: -69.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1112.457311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.457311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.457311 (E_RNA) where: Base-Base interactions energy: -781.503 where: short stacking energy: -342.371 Base-Backbone interact. energy: -2.444 local terms energy: -328.510246 where: bonds (distance) C4'-P energy: -58.043 bonds (distance) P-C4' energy: -51.420 flat angles C4'-P-C4' energy: -66.877 flat angles P-C4'-P energy: -56.360 tors. eta vs tors. theta energy: -95.810 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: 5 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1057.824668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.824668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.824668 (E_RNA) where: Base-Base interactions energy: -730.702 where: short stacking energy: -322.902 Base-Backbone interact. energy: 1.680 local terms energy: -328.802443 where: bonds (distance) C4'-P energy: -59.207 bonds (distance) P-C4' energy: -59.025 flat angles C4'-P-C4' energy: -74.284 flat angles P-C4'-P energy: -53.109 tors. eta vs tors. theta energy: -83.177 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: 400 Temperature: 1.100000 Total energy: -946.034133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.034133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.034133 (E_RNA) where: Base-Base interactions energy: -635.733 where: short stacking energy: -292.464 Base-Backbone interact. energy: -1.134 local terms energy: -309.167193 where: bonds (distance) C4'-P energy: -63.497 bonds (distance) P-C4' energy: -58.348 flat angles C4'-P-C4' energy: -69.435 flat angles P-C4'-P energy: -40.722 tors. eta vs tors. theta energy: -77.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -944.365050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.365050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.365050 (E_RNA) where: Base-Base interactions energy: -655.950 where: short stacking energy: -283.160 Base-Backbone interact. energy: 0.568 local terms energy: -288.983596 where: bonds (distance) C4'-P energy: -60.344 bonds (distance) P-C4' energy: -56.609 flat angles C4'-P-C4' energy: -55.705 flat angles P-C4'-P energy: -45.492 tors. eta vs tors. theta energy: -70.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -919.257375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.257375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.257375 (E_RNA) where: Base-Base interactions energy: -656.251 where: short stacking energy: -262.061 Base-Backbone interact. energy: 0.016 local terms energy: -263.021923 where: bonds (distance) C4'-P energy: -43.617 bonds (distance) P-C4' energy: -53.260 flat angles C4'-P-C4' energy: -58.402 flat angles P-C4'-P energy: -35.852 tors. eta vs tors. theta energy: -71.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -764.435615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.435615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.435615 (E_RNA) where: Base-Base interactions energy: -506.940 where: short stacking energy: -220.501 Base-Backbone interact. energy: -0.698 local terms energy: -256.797263 where: bonds (distance) C4'-P energy: -62.048 bonds (distance) P-C4' energy: -54.815 flat angles C4'-P-C4' energy: -52.812 flat angles P-C4'-P energy: -37.566 tors. eta vs tors. theta energy: -49.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -625.323700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.323700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.323700 (E_RNA) where: Base-Base interactions energy: -396.712 where: short stacking energy: -167.292 Base-Backbone interact. energy: -0.115 local terms energy: -228.496136 where: bonds (distance) C4'-P energy: -45.495 bonds (distance) P-C4' energy: -61.204 flat angles C4'-P-C4' energy: -51.520 flat angles P-C4'-P energy: -40.360 tors. eta vs tors. theta energy: -29.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -594.085598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.085598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.085598 (E_RNA) where: Base-Base interactions energy: -385.624 where: short stacking energy: -167.979 Base-Backbone interact. energy: 0.010 local terms energy: -208.471654 where: bonds (distance) C4'-P energy: -49.845 bonds (distance) P-C4' energy: -57.899 flat angles C4'-P-C4' energy: -52.525 flat angles P-C4'-P energy: -30.290 tors. eta vs tors. theta energy: -17.913 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: 10 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1194.359123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.359123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.359123 (E_RNA) where: Base-Base interactions energy: -855.429 where: short stacking energy: -343.618 Base-Backbone interact. energy: -0.504 local terms energy: -338.426744 where: bonds (distance) C4'-P energy: -62.723 bonds (distance) P-C4' energy: -68.735 flat angles C4'-P-C4' energy: -68.173 flat angles P-C4'-P energy: -47.691 tors. eta vs tors. theta energy: -91.105 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: 4 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1155.598900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.598900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.598900 (E_RNA) where: Base-Base interactions energy: -820.891 where: short stacking energy: -352.081 Base-Backbone interact. energy: -2.648 local terms energy: -332.059605 where: bonds (distance) C4'-P energy: -52.305 bonds (distance) P-C4' energy: -67.362 flat angles C4'-P-C4' energy: -71.010 flat angles P-C4'-P energy: -39.449 tors. eta vs tors. theta energy: -101.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1105.466906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.466906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.466906 (E_RNA) where: Base-Base interactions energy: -811.081 where: short stacking energy: -322.936 Base-Backbone interact. energy: -2.624 local terms energy: -291.761862 where: bonds (distance) C4'-P energy: -45.265 bonds (distance) P-C4' energy: -60.367 flat angles C4'-P-C4' energy: -67.616 flat angles P-C4'-P energy: -46.613 tors. eta vs tors. theta energy: -71.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1053.678475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.678475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.678475 (E_RNA) where: Base-Base interactions energy: -731.373 where: short stacking energy: -326.421 Base-Backbone interact. energy: -2.125 local terms energy: -320.180421 where: bonds (distance) C4'-P energy: -50.650 bonds (distance) P-C4' energy: -60.066 flat angles C4'-P-C4' energy: -67.806 flat angles P-C4'-P energy: -53.962 tors. eta vs tors. theta energy: -87.697 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: 9 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -988.173606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.173606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.173606 (E_RNA) where: Base-Base interactions energy: -692.868 where: short stacking energy: -311.381 Base-Backbone interact. energy: -1.222 local terms energy: -294.083158 where: bonds (distance) C4'-P energy: -57.073 bonds (distance) P-C4' energy: -52.447 flat angles C4'-P-C4' energy: -66.389 flat angles P-C4'-P energy: -44.708 tors. eta vs tors. theta energy: -73.466 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: 8 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -915.501293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.501293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.501293 (E_RNA) where: Base-Base interactions energy: -646.119 where: short stacking energy: -277.252 Base-Backbone interact. energy: 4.055 local terms energy: -273.437863 where: bonds (distance) C4'-P energy: -47.853 bonds (distance) P-C4' energy: -65.200 flat angles C4'-P-C4' energy: -62.780 flat angles P-C4'-P energy: -36.197 tors. eta vs tors. theta energy: -61.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -894.221186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.221186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.221186 (E_RNA) where: Base-Base interactions energy: -614.432 where: short stacking energy: -259.317 Base-Backbone interact. energy: -1.465 local terms energy: -278.324014 where: bonds (distance) C4'-P energy: -52.870 bonds (distance) P-C4' energy: -62.679 flat angles C4'-P-C4' energy: -57.118 flat angles P-C4'-P energy: -34.976 tors. eta vs tors. theta energy: -70.680 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: 8, replica: 3 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -752.012568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.012568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.012568 (E_RNA) where: Base-Base interactions energy: -505.913 where: short stacking energy: -221.364 Base-Backbone interact. energy: -0.462 local terms energy: -245.637319 where: bonds (distance) C4'-P energy: -54.914 bonds (distance) P-C4' energy: -59.261 flat angles C4'-P-C4' energy: -46.401 flat angles P-C4'-P energy: -38.971 tors. eta vs tors. theta energy: -46.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -657.890833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.890833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.890833 (E_RNA) where: Base-Base interactions energy: -423.579 where: short stacking energy: -199.259 Base-Backbone interact. energy: -0.002 local terms energy: -234.310673 where: bonds (distance) C4'-P energy: -49.986 bonds (distance) P-C4' energy: -52.841 flat angles C4'-P-C4' energy: -64.224 flat angles P-C4'-P energy: -25.128 tors. eta vs tors. theta energy: -42.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -614.375038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.375038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.375038 (E_RNA) where: Base-Base interactions energy: -383.838 where: short stacking energy: -180.896 Base-Backbone interact. energy: -0.905 local terms energy: -229.631653 where: bonds (distance) C4'-P energy: -50.043 bonds (distance) P-C4' energy: -45.317 flat angles C4'-P-C4' energy: -56.207 flat angles P-C4'-P energy: -41.513 tors. eta vs tors. theta energy: -36.552 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: 10 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1208.276497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.276497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.276497 (E_RNA) where: Base-Base interactions energy: -854.366 where: short stacking energy: -358.722 Base-Backbone interact. energy: -3.770 local terms energy: -350.140508 where: bonds (distance) C4'-P energy: -59.898 bonds (distance) P-C4' energy: -64.153 flat angles C4'-P-C4' energy: -74.726 flat angles P-C4'-P energy: -53.347 tors. eta vs tors. theta energy: -98.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1147.327649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.327649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.327649 (E_RNA) where: Base-Base interactions energy: -809.906 where: short stacking energy: -337.304 Base-Backbone interact. energy: -1.543 local terms energy: -335.879057 where: bonds (distance) C4'-P energy: -58.477 bonds (distance) P-C4' energy: -62.136 flat angles C4'-P-C4' energy: -66.952 flat angles P-C4'-P energy: -47.627 tors. eta vs tors. theta energy: -100.687 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: 5 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1057.919922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.919922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.919922 (E_RNA) where: Base-Base interactions energy: -733.168 where: short stacking energy: -317.908 Base-Backbone interact. energy: -0.093 local terms energy: -324.658954 where: bonds (distance) C4'-P energy: -62.610 bonds (distance) P-C4' energy: -55.127 flat angles C4'-P-C4' energy: -73.391 flat angles P-C4'-P energy: -52.756 tors. eta vs tors. theta energy: -80.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1083.444541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.444541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.444541 (E_RNA) where: Base-Base interactions energy: -777.752 where: short stacking energy: -305.429 Base-Backbone interact. energy: 0.083 local terms energy: -305.775174 where: bonds (distance) C4'-P energy: -58.280 bonds (distance) P-C4' energy: -55.520 flat angles C4'-P-C4' energy: -74.423 flat angles P-C4'-P energy: -41.972 tors. eta vs tors. theta energy: -75.581 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: 5, replica: 8 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -948.432638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.432638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.432638 (E_RNA) where: Base-Base interactions energy: -656.491 where: short stacking energy: -281.174 Base-Backbone interact. energy: -1.790 local terms energy: -290.151825 where: bonds (distance) C4'-P energy: -51.992 bonds (distance) P-C4' energy: -68.426 flat angles C4'-P-C4' energy: -64.189 flat angles P-C4'-P energy: -36.909 tors. eta vs tors. theta energy: -68.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -927.701074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.701074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.701074 (E_RNA) where: Base-Base interactions energy: -631.150 where: short stacking energy: -283.849 Base-Backbone interact. energy: -1.151 local terms energy: -295.400393 where: bonds (distance) C4'-P energy: -58.650 bonds (distance) P-C4' energy: -61.050 flat angles C4'-P-C4' energy: -63.634 flat angles P-C4'-P energy: -46.248 tors. eta vs tors. theta energy: -65.818 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: 6 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -887.711820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.711820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.711820 (E_RNA) where: Base-Base interactions energy: -606.815 where: short stacking energy: -250.739 Base-Backbone interact. energy: -0.329 local terms energy: -280.567580 where: bonds (distance) C4'-P energy: -60.982 bonds (distance) P-C4' energy: -55.679 flat angles C4'-P-C4' energy: -60.283 flat angles P-C4'-P energy: -34.809 tors. eta vs tors. theta energy: -68.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -792.032042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.032042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.032042 (E_RNA) where: Base-Base interactions energy: -564.737 where: short stacking energy: -221.837 Base-Backbone interact. energy: -1.144 local terms energy: -226.151407 where: bonds (distance) C4'-P energy: -55.867 bonds (distance) P-C4' energy: -52.698 flat angles C4'-P-C4' energy: -44.617 flat angles P-C4'-P energy: -32.288 tors. eta vs tors. theta energy: -40.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -658.166489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.166489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.166489 (E_RNA) where: Base-Base interactions energy: -415.132 where: short stacking energy: -201.743 Base-Backbone interact. energy: -0.647 local terms energy: -242.387774 where: bonds (distance) C4'-P energy: -56.194 bonds (distance) P-C4' energy: -47.997 flat angles C4'-P-C4' energy: -60.685 flat angles P-C4'-P energy: -40.891 tors. eta vs tors. theta energy: -36.621 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: 10, replica: 2 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -612.460938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.460938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.460938 (E_RNA) where: Base-Base interactions energy: -397.437 where: short stacking energy: -173.503 Base-Backbone interact. energy: -2.342 local terms energy: -212.681967 where: bonds (distance) C4'-P energy: -53.090 bonds (distance) P-C4' energy: -55.395 flat angles C4'-P-C4' energy: -53.511 flat angles P-C4'-P energy: -24.514 tors. eta vs tors. theta energy: -26.172 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: 10 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1201.610297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.610297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.610297 (E_RNA) where: Base-Base interactions energy: -853.316 where: short stacking energy: -356.949 Base-Backbone interact. energy: 0.759 local terms energy: -349.053520 where: bonds (distance) C4'-P energy: -66.574 bonds (distance) P-C4' energy: -66.226 flat angles C4'-P-C4' energy: -69.395 flat angles P-C4'-P energy: -52.633 tors. eta vs tors. theta energy: -94.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1126.788110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.788110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.788110 (E_RNA) where: Base-Base interactions energy: -786.014 where: short stacking energy: -360.339 Base-Backbone interact. energy: -1.398 local terms energy: -339.375752 where: bonds (distance) C4'-P energy: -56.476 bonds (distance) P-C4' energy: -57.734 flat angles C4'-P-C4' energy: -76.184 flat angles P-C4'-P energy: -45.288 tors. eta vs tors. theta energy: -103.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1065.936671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.936671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.936671 (E_RNA) where: Base-Base interactions energy: -752.224 where: short stacking energy: -315.248 Base-Backbone interact. energy: -0.920 local terms energy: -312.791955 where: bonds (distance) C4'-P energy: -51.720 bonds (distance) P-C4' energy: -57.876 flat angles C4'-P-C4' energy: -72.008 flat angles P-C4'-P energy: -57.940 tors. eta vs tors. theta energy: -73.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1058.178845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.178845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.178845 (E_RNA) where: Base-Base interactions energy: -766.906 where: short stacking energy: -303.365 Base-Backbone interact. energy: -3.001 local terms energy: -288.272140 where: bonds (distance) C4'-P energy: -58.688 bonds (distance) P-C4' energy: -50.943 flat angles C4'-P-C4' energy: -65.974 flat angles P-C4'-P energy: -45.754 tors. eta vs tors. theta energy: -66.912 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: 8 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -945.315930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.315930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.315930 (E_RNA) where: Base-Base interactions energy: -653.218 where: short stacking energy: -281.936 Base-Backbone interact. energy: -0.524 local terms energy: -291.574385 where: bonds (distance) C4'-P energy: -56.351 bonds (distance) P-C4' energy: -57.995 flat angles C4'-P-C4' energy: -69.690 flat angles P-C4'-P energy: -37.908 tors. eta vs tors. theta energy: -69.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -944.364395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.364395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.364395 (E_RNA) where: Base-Base interactions energy: -654.723 where: short stacking energy: -282.107 Base-Backbone interact. energy: -2.328 local terms energy: -287.313118 where: bonds (distance) C4'-P energy: -48.694 bonds (distance) P-C4' energy: -49.091 flat angles C4'-P-C4' energy: -67.102 flat angles P-C4'-P energy: -50.319 tors. eta vs tors. theta energy: -72.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -895.291696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.291696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.291696 (E_RNA) where: Base-Base interactions energy: -618.255 where: short stacking energy: -250.951 Base-Backbone interact. energy: -2.196 local terms energy: -274.840693 where: bonds (distance) C4'-P energy: -43.770 bonds (distance) P-C4' energy: -63.116 flat angles C4'-P-C4' energy: -55.507 flat angles P-C4'-P energy: -43.776 tors. eta vs tors. theta energy: -68.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -791.179398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.179398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.179398 (E_RNA) where: Base-Base interactions energy: -526.151 where: short stacking energy: -231.851 Base-Backbone interact. energy: -1.036 local terms energy: -263.993115 where: bonds (distance) C4'-P energy: -57.420 bonds (distance) P-C4' energy: -39.939 flat angles C4'-P-C4' energy: -69.730 flat angles P-C4'-P energy: -36.391 tors. eta vs tors. theta energy: -60.513 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: 7 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -666.654102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.654102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.654102 (E_RNA) where: Base-Base interactions energy: -442.576 where: short stacking energy: -225.450 Base-Backbone interact. energy: -0.199 local terms energy: -223.879090 where: bonds (distance) C4'-P energy: -56.053 bonds (distance) P-C4' energy: -48.861 flat angles C4'-P-C4' energy: -55.390 flat angles P-C4'-P energy: -24.070 tors. eta vs tors. theta energy: -39.505 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: 2 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -603.255690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.255690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.255690 (E_RNA) where: Base-Base interactions energy: -395.468 where: short stacking energy: -194.179 Base-Backbone interact. energy: -2.487 local terms energy: -205.300349 where: bonds (distance) C4'-P energy: -44.102 bonds (distance) P-C4' energy: -48.889 flat angles C4'-P-C4' energy: -57.901 flat angles P-C4'-P energy: -29.400 tors. eta vs tors. theta energy: -25.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1190.788115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.788115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.788115 (E_RNA) where: Base-Base interactions energy: -844.382 where: short stacking energy: -348.226 Base-Backbone interact. energy: -2.290 local terms energy: -344.116157 where: bonds (distance) C4'-P energy: -65.044 bonds (distance) P-C4' energy: -71.288 flat angles C4'-P-C4' energy: -66.570 flat angles P-C4'-P energy: -49.753 tors. eta vs tors. theta energy: -91.461 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: 404 Temperature: 0.950000 Total energy: -1128.835545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.835545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.835545 (E_RNA) where: Base-Base interactions energy: -800.193 where: short stacking energy: -351.920 Base-Backbone interact. energy: -0.887 local terms energy: -327.755633 where: bonds (distance) C4'-P energy: -61.414 bonds (distance) P-C4' energy: -61.522 flat angles C4'-P-C4' energy: -63.167 flat angles P-C4'-P energy: -39.201 tors. eta vs tors. theta energy: -102.452 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: 1 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1080.116589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.116589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.116589 (E_RNA) where: Base-Base interactions energy: -769.702 where: short stacking energy: -290.680 Base-Backbone interact. energy: -2.309 local terms energy: -308.105166 where: bonds (distance) C4'-P energy: -56.671 bonds (distance) P-C4' energy: -61.728 flat angles C4'-P-C4' energy: -72.038 flat angles P-C4'-P energy: -49.929 tors. eta vs tors. theta energy: -67.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1025.086441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.086441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.086441 (E_RNA) where: Base-Base interactions energy: -708.579 where: short stacking energy: -308.664 Base-Backbone interact. energy: 0.590 local terms energy: -317.097646 where: bonds (distance) C4'-P energy: -57.589 bonds (distance) P-C4' energy: -74.174 flat angles C4'-P-C4' energy: -67.398 flat angles P-C4'-P energy: -37.779 tors. eta vs tors. theta energy: -80.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -993.749697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.749697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.749697 (E_RNA) where: Base-Base interactions energy: -666.722 where: short stacking energy: -302.998 Base-Backbone interact. energy: -1.883 local terms energy: -325.144959 where: bonds (distance) C4'-P energy: -60.868 bonds (distance) P-C4' energy: -60.637 flat angles C4'-P-C4' energy: -65.932 flat angles P-C4'-P energy: -54.157 tors. eta vs tors. theta energy: -83.550 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: 8 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -905.979396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.979396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.979396 (E_RNA) where: Base-Base interactions energy: -615.824 where: short stacking energy: -244.549 Base-Backbone interact. energy: -3.325 local terms energy: -286.830099 where: bonds (distance) C4'-P energy: -61.665 bonds (distance) P-C4' energy: -57.405 flat angles C4'-P-C4' energy: -66.247 flat angles P-C4'-P energy: -39.373 tors. eta vs tors. theta energy: -62.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -912.381156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.381156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.381156 (E_RNA) where: Base-Base interactions energy: -661.764 where: short stacking energy: -264.614 Base-Backbone interact. energy: -2.226 local terms energy: -248.391442 where: bonds (distance) C4'-P energy: -47.513 bonds (distance) P-C4' energy: -52.090 flat angles C4'-P-C4' energy: -53.167 flat angles P-C4'-P energy: -33.401 tors. eta vs tors. theta energy: -62.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -777.804595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.804595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.804595 (E_RNA) where: Base-Base interactions energy: -514.313 where: short stacking energy: -218.311 Base-Backbone interact. energy: -1.746 local terms energy: -261.746211 where: bonds (distance) C4'-P energy: -50.886 bonds (distance) P-C4' energy: -64.581 flat angles C4'-P-C4' energy: -63.201 flat angles P-C4'-P energy: -41.677 tors. eta vs tors. theta energy: -41.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -653.401815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.401815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.401815 (E_RNA) where: Base-Base interactions energy: -434.057 where: short stacking energy: -200.131 Base-Backbone interact. energy: 3.800 local terms energy: -223.145562 where: bonds (distance) C4'-P energy: -50.337 bonds (distance) P-C4' energy: -53.699 flat angles C4'-P-C4' energy: -51.532 flat angles P-C4'-P energy: -34.869 tors. eta vs tors. theta energy: -32.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -629.558154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.558154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.558154 (E_RNA) where: Base-Base interactions energy: -379.549 where: short stacking energy: -167.352 Base-Backbone interact. energy: -0.803 local terms energy: -249.205820 where: bonds (distance) C4'-P energy: -56.387 bonds (distance) P-C4' energy: -51.096 flat angles C4'-P-C4' energy: -54.603 flat angles P-C4'-P energy: -45.393 tors. eta vs tors. theta energy: -41.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1201.887774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.887774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.887774 (E_RNA) where: Base-Base interactions energy: -869.893 where: short stacking energy: -366.132 Base-Backbone interact. energy: 0.344 local terms energy: -332.338650 where: bonds (distance) C4'-P energy: -55.985 bonds (distance) P-C4' energy: -70.139 flat angles C4'-P-C4' energy: -77.350 flat angles P-C4'-P energy: -39.921 tors. eta vs tors. theta energy: -88.943 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: 4 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1150.410732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.410732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.410732 (E_RNA) where: Base-Base interactions energy: -808.432 where: short stacking energy: -341.298 Base-Backbone interact. energy: 0.189 local terms energy: -342.167749 where: bonds (distance) C4'-P energy: -65.783 bonds (distance) P-C4' energy: -54.925 flat angles C4'-P-C4' energy: -71.684 flat angles P-C4'-P energy: -52.707 tors. eta vs tors. theta energy: -97.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1093.811143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.811143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.811143 (E_RNA) where: Base-Base interactions energy: -788.767 where: short stacking energy: -295.607 Base-Backbone interact. energy: 0.282 local terms energy: -305.326002 where: bonds (distance) C4'-P energy: -58.532 bonds (distance) P-C4' energy: -64.314 flat angles C4'-P-C4' energy: -69.112 flat angles P-C4'-P energy: -46.081 tors. eta vs tors. theta energy: -67.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1024.782632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.782632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.782632 (E_RNA) where: Base-Base interactions energy: -687.271 where: short stacking energy: -300.919 Base-Backbone interact. energy: -3.948 local terms energy: -333.563698 where: bonds (distance) C4'-P energy: -55.498 bonds (distance) P-C4' energy: -65.313 flat angles C4'-P-C4' energy: -75.371 flat angles P-C4'-P energy: -53.070 tors. eta vs tors. theta energy: -84.312 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: 9 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -968.113454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.113454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.113454 (E_RNA) where: Base-Base interactions energy: -673.330 where: short stacking energy: -288.793 Base-Backbone interact. energy: 0.844 local terms energy: -295.627239 where: bonds (distance) C4'-P energy: -59.828 bonds (distance) P-C4' energy: -51.316 flat angles C4'-P-C4' energy: -61.850 flat angles P-C4'-P energy: -43.957 tors. eta vs tors. theta energy: -78.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -945.479406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.479406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.479406 (E_RNA) where: Base-Base interactions energy: -666.749 where: short stacking energy: -280.574 Base-Backbone interact. energy: -1.776 local terms energy: -276.953843 where: bonds (distance) C4'-P energy: -53.544 bonds (distance) P-C4' energy: -48.939 flat angles C4'-P-C4' energy: -60.891 flat angles P-C4'-P energy: -43.014 tors. eta vs tors. theta energy: -70.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -882.226583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.226583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.226583 (E_RNA) where: Base-Base interactions energy: -607.090 where: short stacking energy: -254.532 Base-Backbone interact. energy: -0.937 local terms energy: -274.199064 where: bonds (distance) C4'-P energy: -58.009 bonds (distance) P-C4' energy: -54.580 flat angles C4'-P-C4' energy: -47.366 flat angles P-C4'-P energy: -46.259 tors. eta vs tors. theta energy: -67.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -767.517281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.517281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.517281 (E_RNA) where: Base-Base interactions energy: -538.035 where: short stacking energy: -249.775 Base-Backbone interact. energy: -1.216 local terms energy: -228.266545 where: bonds (distance) C4'-P energy: -50.332 bonds (distance) P-C4' energy: -46.717 flat angles C4'-P-C4' energy: -45.251 flat angles P-C4'-P energy: -40.606 tors. eta vs tors. theta energy: -45.361 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: 7 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -669.590625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.590625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.590625 (E_RNA) where: Base-Base interactions energy: -436.475 where: short stacking energy: -200.702 Base-Backbone interact. energy: 1.494 local terms energy: -234.608848 where: bonds (distance) C4'-P energy: -43.316 bonds (distance) P-C4' energy: -58.022 flat angles C4'-P-C4' energy: -63.313 flat angles P-C4'-P energy: -33.433 tors. eta vs tors. theta energy: -36.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -634.359228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.359228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.359228 (E_RNA) where: Base-Base interactions energy: -394.805 where: short stacking energy: -185.733 Base-Backbone interact. energy: -2.966 local terms energy: -236.588678 where: bonds (distance) C4'-P energy: -50.210 bonds (distance) P-C4' energy: -57.974 flat angles C4'-P-C4' energy: -56.358 flat angles P-C4'-P energy: -41.850 tors. eta vs tors. theta energy: -30.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1196.464756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.464756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.464756 (E_RNA) where: Base-Base interactions energy: -848.689 where: short stacking energy: -356.518 Base-Backbone interact. energy: -0.032 local terms energy: -347.743923 where: bonds (distance) C4'-P energy: -58.968 bonds (distance) P-C4' energy: -66.014 flat angles C4'-P-C4' energy: -75.069 flat angles P-C4'-P energy: -55.831 tors. eta vs tors. theta energy: -91.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1147.002268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.002268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.002268 (E_RNA) where: Base-Base interactions energy: -802.717 where: short stacking energy: -353.126 Base-Backbone interact. energy: -1.339 local terms energy: -342.946295 where: bonds (distance) C4'-P energy: -54.715 bonds (distance) P-C4' energy: -61.508 flat angles C4'-P-C4' energy: -73.388 flat angles P-C4'-P energy: -48.828 tors. eta vs tors. theta energy: -104.507 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: 1 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1087.050183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.050183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.050183 (E_RNA) where: Base-Base interactions energy: -778.562 where: short stacking energy: -294.796 Base-Backbone interact. energy: -3.601 local terms energy: -304.886943 where: bonds (distance) C4'-P energy: -56.718 bonds (distance) P-C4' energy: -56.321 flat angles C4'-P-C4' energy: -71.867 flat angles P-C4'-P energy: -50.898 tors. eta vs tors. theta energy: -69.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1017.825533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.825533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.825533 (E_RNA) where: Base-Base interactions energy: -714.129 where: short stacking energy: -304.715 Base-Backbone interact. energy: -3.843 local terms energy: -299.853576 where: bonds (distance) C4'-P energy: -54.417 bonds (distance) P-C4' energy: -50.264 flat angles C4'-P-C4' energy: -73.804 flat angles P-C4'-P energy: -52.041 tors. eta vs tors. theta energy: -69.327 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: 9 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -975.252593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.252593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.252593 (E_RNA) where: Base-Base interactions energy: -686.834 where: short stacking energy: -280.094 Base-Backbone interact. energy: -0.126 local terms energy: -288.292404 where: bonds (distance) C4'-P energy: -52.546 bonds (distance) P-C4' energy: -53.817 flat angles C4'-P-C4' energy: -64.332 flat angles P-C4'-P energy: -52.063 tors. eta vs tors. theta energy: -65.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -923.168981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.168981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.168981 (E_RNA) where: Base-Base interactions energy: -647.302 where: short stacking energy: -281.142 Base-Backbone interact. energy: -0.314 local terms energy: -275.552807 where: bonds (distance) C4'-P energy: -49.095 bonds (distance) P-C4' energy: -62.201 flat angles C4'-P-C4' energy: -59.273 flat angles P-C4'-P energy: -45.985 tors. eta vs tors. theta energy: -58.999 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: 7, replica: 8 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -896.943841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.943841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.943841 (E_RNA) where: Base-Base interactions energy: -629.542 where: short stacking energy: -282.414 Base-Backbone interact. energy: -0.096 local terms energy: -267.305731 where: bonds (distance) C4'-P energy: -48.627 bonds (distance) P-C4' energy: -59.463 flat angles C4'-P-C4' energy: -64.240 flat angles P-C4'-P energy: -28.736 tors. eta vs tors. theta energy: -66.240 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: 3 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -781.964780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.964780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.964780 (E_RNA) where: Base-Base interactions energy: -541.276 where: short stacking energy: -237.622 Base-Backbone interact. energy: -1.674 local terms energy: -239.014967 where: bonds (distance) C4'-P energy: -45.660 bonds (distance) P-C4' energy: -50.666 flat angles C4'-P-C4' energy: -53.543 flat angles P-C4'-P energy: -39.831 tors. eta vs tors. theta energy: -49.316 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: 9, replica: 7 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -709.663717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.663717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.663717 (E_RNA) where: Base-Base interactions energy: -491.766 where: short stacking energy: -218.859 Base-Backbone interact. energy: -0.598 local terms energy: -217.300435 where: bonds (distance) C4'-P energy: -38.948 bonds (distance) P-C4' energy: -56.814 flat angles C4'-P-C4' energy: -53.988 flat angles P-C4'-P energy: -28.595 tors. eta vs tors. theta energy: -38.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -623.658547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.658547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.658547 (E_RNA) where: Base-Base interactions energy: -378.379 where: short stacking energy: -181.034 Base-Backbone interact. energy: -0.487 local terms energy: -244.793033 where: bonds (distance) C4'-P energy: -51.664 bonds (distance) P-C4' energy: -54.548 flat angles C4'-P-C4' energy: -63.826 flat angles P-C4'-P energy: -35.845 tors. eta vs tors. theta energy: -38.910 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: 10 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1202.664370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.664370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.664370 (E_RNA) where: Base-Base interactions energy: -855.820 where: short stacking energy: -342.888 Base-Backbone interact. energy: -2.269 local terms energy: -344.575012 where: bonds (distance) C4'-P energy: -65.360 bonds (distance) P-C4' energy: -57.594 flat angles C4'-P-C4' energy: -77.565 flat angles P-C4'-P energy: -51.414 tors. eta vs tors. theta energy: -92.643 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: 4 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1174.985996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.985996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.985996 (E_RNA) where: Base-Base interactions energy: -811.464 where: short stacking energy: -354.915 Base-Backbone interact. energy: -1.792 local terms energy: -361.730250 where: bonds (distance) C4'-P energy: -64.088 bonds (distance) P-C4' energy: -65.277 flat angles C4'-P-C4' energy: -77.220 flat angles P-C4'-P energy: -57.432 tors. eta vs tors. theta energy: -97.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1120.979131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.979131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.979131 (E_RNA) where: Base-Base interactions energy: -814.812 where: short stacking energy: -311.049 Base-Backbone interact. energy: -1.839 local terms energy: -304.328724 where: bonds (distance) C4'-P energy: -61.865 bonds (distance) P-C4' energy: -60.817 flat angles C4'-P-C4' energy: -67.208 flat angles P-C4'-P energy: -47.561 tors. eta vs tors. theta energy: -66.877 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: 4, replica: 9 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1041.740052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.740052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.740052 (E_RNA) where: Base-Base interactions energy: -716.591 where: short stacking energy: -298.539 Base-Backbone interact. energy: -1.771 local terms energy: -323.377951 where: bonds (distance) C4'-P energy: -65.500 bonds (distance) P-C4' energy: -65.304 flat angles C4'-P-C4' energy: -71.886 flat angles P-C4'-P energy: -46.299 tors. eta vs tors. theta energy: -74.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1020.853288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.853288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.853288 (E_RNA) where: Base-Base interactions energy: -710.653 where: short stacking energy: -300.719 Base-Backbone interact. energy: -0.931 local terms energy: -309.268914 where: bonds (distance) C4'-P energy: -60.677 bonds (distance) P-C4' energy: -49.953 flat angles C4'-P-C4' energy: -72.292 flat angles P-C4'-P energy: -44.508 tors. eta vs tors. theta energy: -81.840 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: 6 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -904.137339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.137339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.137339 (E_RNA) where: Base-Base interactions energy: -624.116 where: short stacking energy: -262.289 Base-Backbone interact. energy: -1.200 local terms energy: -278.821432 where: bonds (distance) C4'-P energy: -53.553 bonds (distance) P-C4' energy: -65.119 flat angles C4'-P-C4' energy: -54.538 flat angles P-C4'-P energy: -45.567 tors. eta vs tors. theta energy: -60.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -873.476219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.476219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.476219 (E_RNA) where: Base-Base interactions energy: -615.334 where: short stacking energy: -270.330 Base-Backbone interact. energy: 1.052 local terms energy: -259.193588 where: bonds (distance) C4'-P energy: -52.088 bonds (distance) P-C4' energy: -53.161 flat angles C4'-P-C4' energy: -51.145 flat angles P-C4'-P energy: -44.072 tors. eta vs tors. theta energy: -58.727 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: 3 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -783.966313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.966313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.966313 (E_RNA) where: Base-Base interactions energy: -540.292 where: short stacking energy: -239.794 Base-Backbone interact. energy: 0.339 local terms energy: -244.013345 where: bonds (distance) C4'-P energy: -51.375 bonds (distance) P-C4' energy: -51.908 flat angles C4'-P-C4' energy: -54.247 flat angles P-C4'-P energy: -38.109 tors. eta vs tors. theta energy: -48.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -713.064935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.064935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.064935 (E_RNA) where: Base-Base interactions energy: -461.917 where: short stacking energy: -210.061 Base-Backbone interact. energy: -2.651 local terms energy: -248.497247 where: bonds (distance) C4'-P energy: -60.677 bonds (distance) P-C4' energy: -53.907 flat angles C4'-P-C4' energy: -56.471 flat angles P-C4'-P energy: -33.037 tors. eta vs tors. theta energy: -44.406 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: 2 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -592.463020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.463020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.463020 (E_RNA) where: Base-Base interactions energy: -375.882 where: short stacking energy: -165.920 Base-Backbone interact. energy: -1.290 local terms energy: -215.290421 where: bonds (distance) C4'-P energy: -42.292 bonds (distance) P-C4' energy: -45.364 flat angles C4'-P-C4' energy: -57.861 flat angles P-C4'-P energy: -39.142 tors. eta vs tors. theta energy: -30.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1189.730564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.730564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.730564 (E_RNA) where: Base-Base interactions energy: -855.307 where: short stacking energy: -344.604 Base-Backbone interact. energy: -1.943 local terms energy: -332.480866 where: bonds (distance) C4'-P energy: -58.933 bonds (distance) P-C4' energy: -63.406 flat angles C4'-P-C4' energy: -73.258 flat angles P-C4'-P energy: -49.485 tors. eta vs tors. theta energy: -87.398 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: 2, replica: 4 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1139.722259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.722259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.722259 (E_RNA) where: Base-Base interactions energy: -791.170 where: short stacking energy: -349.524 Base-Backbone interact. energy: -1.950 local terms energy: -346.602693 where: bonds (distance) C4'-P energy: -67.987 bonds (distance) P-C4' energy: -64.439 flat angles C4'-P-C4' energy: -69.106 flat angles P-C4'-P energy: -44.102 tors. eta vs tors. theta energy: -100.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1121.258410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.258410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.258410 (E_RNA) where: Base-Base interactions energy: -805.544 where: short stacking energy: -315.751 Base-Backbone interact. energy: -1.677 local terms energy: -314.036777 where: bonds (distance) C4'-P energy: -54.402 bonds (distance) P-C4' energy: -60.506 flat angles C4'-P-C4' energy: -71.916 flat angles P-C4'-P energy: -50.132 tors. eta vs tors. theta energy: -77.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1057.605160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.605160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.605160 (E_RNA) where: Base-Base interactions energy: -756.540 where: short stacking energy: -297.183 Base-Backbone interact. energy: 1.527 local terms energy: -302.591861 where: bonds (distance) C4'-P energy: -60.517 bonds (distance) P-C4' energy: -59.289 flat angles C4'-P-C4' energy: -64.882 flat angles P-C4'-P energy: -45.919 tors. eta vs tors. theta energy: -71.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1014.827700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.827700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.827700 (E_RNA) where: Base-Base interactions energy: -710.093 where: short stacking energy: -301.530 Base-Backbone interact. energy: -1.513 local terms energy: -303.221466 where: bonds (distance) C4'-P energy: -55.163 bonds (distance) P-C4' energy: -54.898 flat angles C4'-P-C4' energy: -62.647 flat angles P-C4'-P energy: -48.297 tors. eta vs tors. theta energy: -82.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -933.398429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.398429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.398429 (E_RNA) where: Base-Base interactions energy: -640.212 where: short stacking energy: -273.861 Base-Backbone interact. energy: -4.750 local terms energy: -288.436305 where: bonds (distance) C4'-P energy: -52.443 bonds (distance) P-C4' energy: -60.726 flat angles C4'-P-C4' energy: -66.909 flat angles P-C4'-P energy: -40.133 tors. eta vs tors. theta energy: -68.226 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: 8 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -864.043381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.043381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.043381 (E_RNA) where: Base-Base interactions energy: -570.837 where: short stacking energy: -262.764 Base-Backbone interact. energy: -0.948 local terms energy: -292.258776 where: bonds (distance) C4'-P energy: -53.385 bonds (distance) P-C4' energy: -63.952 flat angles C4'-P-C4' energy: -68.506 flat angles P-C4'-P energy: -37.384 tors. eta vs tors. theta energy: -69.032 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: 3 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -781.081078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.081078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.081078 (E_RNA) where: Base-Base interactions energy: -520.131 where: short stacking energy: -229.653 Base-Backbone interact. energy: -1.091 local terms energy: -259.858692 where: bonds (distance) C4'-P energy: -58.022 bonds (distance) P-C4' energy: -60.492 flat angles C4'-P-C4' energy: -56.826 flat angles P-C4'-P energy: -32.295 tors. eta vs tors. theta energy: -52.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -635.163775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.163775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.163775 (E_RNA) where: Base-Base interactions energy: -409.080 where: short stacking energy: -195.755 Base-Backbone interact. energy: -2.253 local terms energy: -223.830988 where: bonds (distance) C4'-P energy: -58.479 bonds (distance) P-C4' energy: -45.938 flat angles C4'-P-C4' energy: -52.639 flat angles P-C4'-P energy: -29.175 tors. eta vs tors. theta energy: -37.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -609.963724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.963724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.963724 (E_RNA) where: Base-Base interactions energy: -403.239 where: short stacking energy: -187.734 Base-Backbone interact. energy: 0.207 local terms energy: -206.932295 where: bonds (distance) C4'-P energy: -54.832 bonds (distance) P-C4' energy: -49.393 flat angles C4'-P-C4' energy: -50.621 flat angles P-C4'-P energy: -22.322 tors. eta vs tors. theta energy: -29.765 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: 10 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1199.607079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.607079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.607079 (E_RNA) where: Base-Base interactions energy: -852.136 where: short stacking energy: -352.315 Base-Backbone interact. energy: -1.659 local terms energy: -345.812016 where: bonds (distance) C4'-P energy: -64.803 bonds (distance) P-C4' energy: -61.324 flat angles C4'-P-C4' energy: -77.902 flat angles P-C4'-P energy: -60.373 tors. eta vs tors. theta energy: -81.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1141.964186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.964186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.964186 (E_RNA) where: Base-Base interactions energy: -814.732 where: short stacking energy: -309.050 Base-Backbone interact. energy: -2.797 local terms energy: -324.435389 where: bonds (distance) C4'-P energy: -60.256 bonds (distance) P-C4' energy: -60.422 flat angles C4'-P-C4' energy: -70.216 flat angles P-C4'-P energy: -56.920 tors. eta vs tors. theta energy: -76.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1120.274137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.274137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.274137 (E_RNA) where: Base-Base interactions energy: -802.216 where: short stacking energy: -334.346 Base-Backbone interact. energy: -0.731 local terms energy: -317.327013 where: bonds (distance) C4'-P energy: -54.442 bonds (distance) P-C4' energy: -67.710 flat angles C4'-P-C4' energy: -70.203 flat angles P-C4'-P energy: -39.909 tors. eta vs tors. theta energy: -85.062 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: 5 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1041.952939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.952939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.952939 (E_RNA) where: Base-Base interactions energy: -747.795 where: short stacking energy: -313.650 Base-Backbone interact. energy: 0.606 local terms energy: -294.764059 where: bonds (distance) C4'-P energy: -51.538 bonds (distance) P-C4' energy: -57.247 flat angles C4'-P-C4' energy: -72.650 flat angles P-C4'-P energy: -31.648 tors. eta vs tors. theta energy: -81.681 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: 5, replica: 9 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1049.536153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.536153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.536153 (E_RNA) where: Base-Base interactions energy: -740.637 where: short stacking energy: -310.523 Base-Backbone interact. energy: -0.598 local terms energy: -308.301803 where: bonds (distance) C4'-P energy: -62.900 bonds (distance) P-C4' energy: -61.101 flat angles C4'-P-C4' energy: -75.672 flat angles P-C4'-P energy: -33.999 tors. eta vs tors. theta energy: -74.629 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: 6 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -939.923184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.923184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.923184 (E_RNA) where: Base-Base interactions energy: -655.763 where: short stacking energy: -255.008 Base-Backbone interact. energy: -1.668 local terms energy: -282.492636 where: bonds (distance) C4'-P energy: -59.014 bonds (distance) P-C4' energy: -48.507 flat angles C4'-P-C4' energy: -70.820 flat angles P-C4'-P energy: -40.907 tors. eta vs tors. theta energy: -63.244 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: 7, replica: 8 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -878.757056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.757056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.757056 (E_RNA) where: Base-Base interactions energy: -594.618 where: short stacking energy: -249.037 Base-Backbone interact. energy: -2.136 local terms energy: -282.002766 where: bonds (distance) C4'-P energy: -64.253 bonds (distance) P-C4' energy: -47.195 flat angles C4'-P-C4' energy: -67.116 flat angles P-C4'-P energy: -48.006 tors. eta vs tors. theta energy: -55.433 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: 3 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -745.596537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.596537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.596537 (E_RNA) where: Base-Base interactions energy: -520.739 where: short stacking energy: -222.598 Base-Backbone interact. energy: -0.016 local terms energy: -224.841059 where: bonds (distance) C4'-P energy: -43.464 bonds (distance) P-C4' energy: -43.946 flat angles C4'-P-C4' energy: -51.743 flat angles P-C4'-P energy: -31.768 tors. eta vs tors. theta energy: -53.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -640.688272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.688272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.688272 (E_RNA) where: Base-Base interactions energy: -423.100 where: short stacking energy: -195.755 Base-Backbone interact. energy: -0.618 local terms energy: -216.970555 where: bonds (distance) C4'-P energy: -52.809 bonds (distance) P-C4' energy: -47.473 flat angles C4'-P-C4' energy: -52.505 flat angles P-C4'-P energy: -33.896 tors. eta vs tors. theta energy: -30.288 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: 7 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -658.751382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.751382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.751382 (E_RNA) where: Base-Base interactions energy: -429.717 where: short stacking energy: -192.947 Base-Backbone interact. energy: 2.231 local terms energy: -231.265958 where: bonds (distance) C4'-P energy: -49.082 bonds (distance) P-C4' energy: -58.863 flat angles C4'-P-C4' energy: -55.051 flat angles P-C4'-P energy: -31.171 tors. eta vs tors. theta energy: -37.098 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: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1194.568724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.568724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.568724 (E_RNA) where: Base-Base interactions energy: -845.664 where: short stacking energy: -341.503 Base-Backbone interact. energy: -1.037 local terms energy: -347.867612 where: bonds (distance) C4'-P energy: -55.678 bonds (distance) P-C4' energy: -67.483 flat angles C4'-P-C4' energy: -79.161 flat angles P-C4'-P energy: -60.008 tors. eta vs tors. theta energy: -85.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1126.434254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.434254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.434254 (E_RNA) where: Base-Base interactions energy: -808.285 where: short stacking energy: -313.365 Base-Backbone interact. energy: -3.623 local terms energy: -314.526190 where: bonds (distance) C4'-P energy: -69.664 bonds (distance) P-C4' energy: -61.458 flat angles C4'-P-C4' energy: -66.711 flat angles P-C4'-P energy: -44.372 tors. eta vs tors. theta energy: -72.322 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: 4 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1135.976389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.976389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.976389 (E_RNA) where: Base-Base interactions energy: -791.740 where: short stacking energy: -336.144 Base-Backbone interact. energy: -1.104 local terms energy: -343.132106 where: bonds (distance) C4'-P energy: -60.935 bonds (distance) P-C4' energy: -65.979 flat angles C4'-P-C4' energy: -70.090 flat angles P-C4'-P energy: -47.897 tors. eta vs tors. theta energy: -98.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1026.388543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.388543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.388543 (E_RNA) where: Base-Base interactions energy: -712.721 where: short stacking energy: -302.920 Base-Backbone interact. energy: 1.012 local terms energy: -314.679302 where: bonds (distance) C4'-P energy: -61.677 bonds (distance) P-C4' energy: -54.963 flat angles C4'-P-C4' energy: -67.460 flat angles P-C4'-P energy: -50.544 tors. eta vs tors. theta energy: -80.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1042.215506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.215506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.215506 (E_RNA) where: Base-Base interactions energy: -738.882 where: short stacking energy: -316.877 Base-Backbone interact. energy: -1.282 local terms energy: -302.051739 where: bonds (distance) C4'-P energy: -54.376 bonds (distance) P-C4' energy: -63.066 flat angles C4'-P-C4' energy: -64.420 flat angles P-C4'-P energy: -43.888 tors. eta vs tors. theta energy: -76.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -959.969873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.969873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.969873 (E_RNA) where: Base-Base interactions energy: -686.618 where: short stacking energy: -274.877 Base-Backbone interact. energy: -2.208 local terms energy: -271.144467 where: bonds (distance) C4'-P energy: -47.354 bonds (distance) P-C4' energy: -56.615 flat angles C4'-P-C4' energy: -61.387 flat angles P-C4'-P energy: -41.190 tors. eta vs tors. theta energy: -64.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -794.147526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.147526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.147526 (E_RNA) where: Base-Base interactions energy: -549.743 where: short stacking energy: -230.299 Base-Backbone interact. energy: 0.110 local terms energy: -244.514835 where: bonds (distance) C4'-P energy: -37.773 bonds (distance) P-C4' energy: -58.633 flat angles C4'-P-C4' energy: -62.259 flat angles P-C4'-P energy: -43.952 tors. eta vs tors. theta energy: -41.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -811.824433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.824433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.824433 (E_RNA) where: Base-Base interactions energy: -539.028 where: short stacking energy: -204.115 Base-Backbone interact. energy: -2.367 local terms energy: -270.429832 where: bonds (distance) C4'-P energy: -62.079 bonds (distance) P-C4' energy: -61.082 flat angles C4'-P-C4' energy: -63.822 flat angles P-C4'-P energy: -33.455 tors. eta vs tors. theta energy: -49.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -647.883433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.883433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.883433 (E_RNA) where: Base-Base interactions energy: -433.969 where: short stacking energy: -209.672 Base-Backbone interact. energy: 3.307 local terms energy: -217.222297 where: bonds (distance) C4'-P energy: -61.095 bonds (distance) P-C4' energy: -42.943 flat angles C4'-P-C4' energy: -44.677 flat angles P-C4'-P energy: -34.424 tors. eta vs tors. theta energy: -34.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -550.675882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.675882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.675882 (E_RNA) where: Base-Base interactions energy: -339.536 where: short stacking energy: -170.995 Base-Backbone interact. energy: 0.595 local terms energy: -211.734423 where: bonds (distance) C4'-P energy: -43.613 bonds (distance) P-C4' energy: -48.817 flat angles C4'-P-C4' energy: -57.766 flat angles P-C4'-P energy: -26.207 tors. eta vs tors. theta energy: -35.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1202.002349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.002349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.002349 (E_RNA) where: Base-Base interactions energy: -861.547 where: short stacking energy: -340.485 Base-Backbone interact. energy: -0.773 local terms energy: -339.681819 where: bonds (distance) C4'-P energy: -61.348 bonds (distance) P-C4' energy: -69.622 flat angles C4'-P-C4' energy: -79.581 flat angles P-C4'-P energy: -41.134 tors. eta vs tors. theta energy: -87.997 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: 1 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1151.082879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.082879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.082879 (E_RNA) where: Base-Base interactions energy: -813.932 where: short stacking energy: -322.968 Base-Backbone interact. energy: -4.254 local terms energy: -332.896742 where: bonds (distance) C4'-P energy: -65.440 bonds (distance) P-C4' energy: -67.786 flat angles C4'-P-C4' energy: -67.687 flat angles P-C4'-P energy: -54.098 tors. eta vs tors. theta energy: -77.885 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: 411 Temperature: 1.000000 Total energy: -1121.490596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.490596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.490596 (E_RNA) where: Base-Base interactions energy: -790.606 where: short stacking energy: -331.505 Base-Backbone interact. energy: 2.148 local terms energy: -333.032501 where: bonds (distance) C4'-P energy: -49.265 bonds (distance) P-C4' energy: -61.642 flat angles C4'-P-C4' energy: -68.861 flat angles P-C4'-P energy: -58.101 tors. eta vs tors. theta energy: -95.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1098.562348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.562348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.562348 (E_RNA) where: Base-Base interactions energy: -784.435 where: short stacking energy: -337.284 Base-Backbone interact. energy: 0.222 local terms energy: -314.349550 where: bonds (distance) C4'-P energy: -61.631 bonds (distance) P-C4' energy: -62.260 flat angles C4'-P-C4' energy: -71.103 flat angles P-C4'-P energy: -31.180 tors. eta vs tors. theta energy: -88.176 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: 5 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1023.151278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.151278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.151278 (E_RNA) where: Base-Base interactions energy: -722.988 where: short stacking energy: -300.376 Base-Backbone interact. energy: -2.645 local terms energy: -297.518147 where: bonds (distance) C4'-P energy: -52.958 bonds (distance) P-C4' energy: -64.162 flat angles C4'-P-C4' energy: -61.230 flat angles P-C4'-P energy: -48.018 tors. eta vs tors. theta energy: -71.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -949.637810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.637810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.637810 (E_RNA) where: Base-Base interactions energy: -681.869 where: short stacking energy: -280.153 Base-Backbone interact. energy: -2.597 local terms energy: -265.171288 where: bonds (distance) C4'-P energy: -55.118 bonds (distance) P-C4' energy: -47.032 flat angles C4'-P-C4' energy: -52.761 flat angles P-C4'-P energy: -40.969 tors. eta vs tors. theta energy: -69.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -835.454803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.454803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.454803 (E_RNA) where: Base-Base interactions energy: -562.210 where: short stacking energy: -244.558 Base-Backbone interact. energy: 0.135 local terms energy: -273.379666 where: bonds (distance) C4'-P energy: -57.161 bonds (distance) P-C4' energy: -65.625 flat angles C4'-P-C4' energy: -57.602 flat angles P-C4'-P energy: -41.486 tors. eta vs tors. theta energy: -51.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -801.429559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.429559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.429559 (E_RNA) where: Base-Base interactions energy: -550.988 where: short stacking energy: -224.788 Base-Backbone interact. energy: -1.158 local terms energy: -249.283448 where: bonds (distance) C4'-P energy: -61.933 bonds (distance) P-C4' energy: -55.888 flat angles C4'-P-C4' energy: -54.552 flat angles P-C4'-P energy: -30.259 tors. eta vs tors. theta energy: -46.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -635.841334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.841334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.841334 (E_RNA) where: Base-Base interactions energy: -418.912 where: short stacking energy: -202.516 Base-Backbone interact. energy: -2.228 local terms energy: -214.700701 where: bonds (distance) C4'-P energy: -50.456 bonds (distance) P-C4' energy: -46.848 flat angles C4'-P-C4' energy: -46.538 flat angles P-C4'-P energy: -21.727 tors. eta vs tors. theta energy: -49.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -558.121234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.121234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.121234 (E_RNA) where: Base-Base interactions energy: -360.686 where: short stacking energy: -168.555 Base-Backbone interact. energy: 1.168 local terms energy: -198.604157 where: bonds (distance) C4'-P energy: -36.835 bonds (distance) P-C4' energy: -57.936 flat angles C4'-P-C4' energy: -56.546 flat angles P-C4'-P energy: -34.644 tors. eta vs tors. theta energy: -12.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1153.149856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.149856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.149856 (E_RNA) where: Base-Base interactions energy: -829.050 where: short stacking energy: -326.972 Base-Backbone interact. energy: -0.501 local terms energy: -323.599605 where: bonds (distance) C4'-P energy: -67.811 bonds (distance) P-C4' energy: -59.607 flat angles C4'-P-C4' energy: -62.596 flat angles P-C4'-P energy: -51.287 tors. eta vs tors. theta energy: -82.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1183.436831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.436831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.436831 (E_RNA) where: Base-Base interactions energy: -853.224 where: short stacking energy: -344.049 Base-Backbone interact. energy: -1.328 local terms energy: -328.885430 where: bonds (distance) C4'-P energy: -57.489 bonds (distance) P-C4' energy: -59.043 flat angles C4'-P-C4' energy: -74.705 flat angles P-C4'-P energy: -53.567 tors. eta vs tors. theta energy: -84.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1116.094834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.094834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.094834 (E_RNA) where: Base-Base interactions energy: -773.628 where: short stacking energy: -348.411 Base-Backbone interact. energy: -0.775 local terms energy: -341.691576 where: bonds (distance) C4'-P energy: -66.202 bonds (distance) P-C4' energy: -60.124 flat angles C4'-P-C4' energy: -71.647 flat angles P-C4'-P energy: -51.028 tors. eta vs tors. theta energy: -92.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1091.372442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.372442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.372442 (E_RNA) where: Base-Base interactions energy: -789.658 where: short stacking energy: -320.806 Base-Backbone interact. energy: -2.034 local terms energy: -299.680538 where: bonds (distance) C4'-P energy: -50.842 bonds (distance) P-C4' energy: -63.754 flat angles C4'-P-C4' energy: -66.743 flat angles P-C4'-P energy: -33.368 tors. eta vs tors. theta energy: -84.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1008.093115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.093115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.093115 (E_RNA) where: Base-Base interactions energy: -722.539 where: short stacking energy: -287.559 Base-Backbone interact. energy: 3.196 local terms energy: -288.750144 where: bonds (distance) C4'-P energy: -54.968 bonds (distance) P-C4' energy: -45.203 flat angles C4'-P-C4' energy: -68.044 flat angles P-C4'-P energy: -43.915 tors. eta vs tors. theta energy: -76.619 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: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1015.441459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.441459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.441459 (E_RNA) where: Base-Base interactions energy: -725.148 where: short stacking energy: -300.693 Base-Backbone interact. energy: -1.107 local terms energy: -289.186329 where: bonds (distance) C4'-P energy: -48.363 bonds (distance) P-C4' energy: -56.951 flat angles C4'-P-C4' energy: -63.069 flat angles P-C4'-P energy: -47.536 tors. eta vs tors. theta energy: -73.267 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: 3 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -791.111125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.111125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.111125 (E_RNA) where: Base-Base interactions energy: -543.878 where: short stacking energy: -247.185 Base-Backbone interact. energy: -1.327 local terms energy: -245.906968 where: bonds (distance) C4'-P energy: -53.313 bonds (distance) P-C4' energy: -53.341 flat angles C4'-P-C4' energy: -58.535 flat angles P-C4'-P energy: -27.403 tors. eta vs tors. theta energy: -53.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -826.035221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.035221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.035221 (E_RNA) where: Base-Base interactions energy: -578.124 where: short stacking energy: -250.627 Base-Backbone interact. energy: -0.060 local terms energy: -247.851095 where: bonds (distance) C4'-P energy: -47.871 bonds (distance) P-C4' energy: -49.569 flat angles C4'-P-C4' energy: -54.233 flat angles P-C4'-P energy: -48.097 tors. eta vs tors. theta energy: -48.081 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: 7 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -670.662197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.662197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.662197 (E_RNA) where: Base-Base interactions energy: -429.801 where: short stacking energy: -198.415 Base-Backbone interact. energy: -1.259 local terms energy: -239.602511 where: bonds (distance) C4'-P energy: -58.588 bonds (distance) P-C4' energy: -42.446 flat angles C4'-P-C4' energy: -57.216 flat angles P-C4'-P energy: -40.777 tors. eta vs tors. theta energy: -40.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -579.415702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.415702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.415702 (E_RNA) where: Base-Base interactions energy: -354.695 where: short stacking energy: -179.266 Base-Backbone interact. energy: -1.627 local terms energy: -223.094040 where: bonds (distance) C4'-P energy: -48.908 bonds (distance) P-C4' energy: -55.423 flat angles C4'-P-C4' energy: -56.167 flat angles P-C4'-P energy: -32.959 tors. eta vs tors. theta energy: -29.637 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: 1, replica: 1 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1171.206285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.206285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.206285 (E_RNA) where: Base-Base interactions energy: -848.852 where: short stacking energy: -327.896 Base-Backbone interact. energy: -1.637 local terms energy: -320.717567 where: bonds (distance) C4'-P energy: -70.026 bonds (distance) P-C4' energy: -58.707 flat angles C4'-P-C4' energy: -78.573 flat angles P-C4'-P energy: -32.836 tors. eta vs tors. theta energy: -80.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1203.051290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.051290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.051290 (E_RNA) where: Base-Base interactions energy: -856.540 where: short stacking energy: -355.263 Base-Backbone interact. energy: -1.925 local terms energy: -344.586131 where: bonds (distance) C4'-P energy: -59.116 bonds (distance) P-C4' energy: -72.353 flat angles C4'-P-C4' energy: -75.460 flat angles P-C4'-P energy: -42.105 tors. eta vs tors. theta energy: -95.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1096.236473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.236473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.236473 (E_RNA) where: Base-Base interactions energy: -774.956 where: short stacking energy: -340.366 Base-Backbone interact. energy: -0.554 local terms energy: -320.726618 where: bonds (distance) C4'-P energy: -63.105 bonds (distance) P-C4' energy: -53.936 flat angles C4'-P-C4' energy: -66.344 flat angles P-C4'-P energy: -46.510 tors. eta vs tors. theta energy: -90.831 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: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1116.701645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.701645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.701645 (E_RNA) where: Base-Base interactions energy: -798.801 where: short stacking energy: -331.891 Base-Backbone interact. energy: -1.048 local terms energy: -316.852992 where: bonds (distance) C4'-P energy: -44.892 bonds (distance) P-C4' energy: -64.596 flat angles C4'-P-C4' energy: -71.147 flat angles P-C4'-P energy: -45.605 tors. eta vs tors. theta energy: -90.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -992.468007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.468007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.468007 (E_RNA) where: Base-Base interactions energy: -709.436 where: short stacking energy: -298.979 Base-Backbone interact. energy: 0.898 local terms energy: -283.930304 where: bonds (distance) C4'-P energy: -59.156 bonds (distance) P-C4' energy: -47.574 flat angles C4'-P-C4' energy: -60.793 flat angles P-C4'-P energy: -42.155 tors. eta vs tors. theta energy: -74.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1021.667540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.667540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.667540 (E_RNA) where: Base-Base interactions energy: -732.887 where: short stacking energy: -310.368 Base-Backbone interact. energy: -1.103 local terms energy: -287.677058 where: bonds (distance) C4'-P energy: -48.108 bonds (distance) P-C4' energy: -52.153 flat angles C4'-P-C4' energy: -63.385 flat angles P-C4'-P energy: -41.360 tors. eta vs tors. theta energy: -82.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -796.999000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.999000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.999000 (E_RNA) where: Base-Base interactions energy: -557.990 where: short stacking energy: -237.531 Base-Backbone interact. energy: -2.871 local terms energy: -236.137899 where: bonds (distance) C4'-P energy: -47.678 bonds (distance) P-C4' energy: -48.525 flat angles C4'-P-C4' energy: -57.398 flat angles P-C4'-P energy: -31.392 tors. eta vs tors. theta energy: -51.145 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: 413 Temperature: 1.250000 Total energy: -815.000493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.000493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.000493 (E_RNA) where: Base-Base interactions energy: -566.960 where: short stacking energy: -242.678 Base-Backbone interact. energy: -1.730 local terms energy: -246.310386 where: bonds (distance) C4'-P energy: -43.348 bonds (distance) P-C4' energy: -59.682 flat angles C4'-P-C4' energy: -57.256 flat angles P-C4'-P energy: -37.696 tors. eta vs tors. theta energy: -48.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -660.955037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.955037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.955037 (E_RNA) where: Base-Base interactions energy: -423.015 where: short stacking energy: -188.303 Base-Backbone interact. energy: 0.181 local terms energy: -238.120940 where: bonds (distance) C4'-P energy: -48.246 bonds (distance) P-C4' energy: -61.383 flat angles C4'-P-C4' energy: -51.209 flat angles P-C4'-P energy: -38.917 tors. eta vs tors. theta energy: -38.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -583.269613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.269613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.269613 (E_RNA) where: Base-Base interactions energy: -368.209 where: short stacking energy: -156.772 Base-Backbone interact. energy: -0.889 local terms energy: -214.171928 where: bonds (distance) C4'-P energy: -51.325 bonds (distance) P-C4' energy: -46.518 flat angles C4'-P-C4' energy: -47.862 flat angles P-C4'-P energy: -39.054 tors. eta vs tors. theta energy: -29.413 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: 10 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1215.329870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.329870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.329870 (E_RNA) where: Base-Base interactions energy: -876.415 where: short stacking energy: -371.418 Base-Backbone interact. energy: 0.331 local terms energy: -339.246221 where: bonds (distance) C4'-P energy: -63.765 bonds (distance) P-C4' energy: -60.448 flat angles C4'-P-C4' energy: -71.038 flat angles P-C4'-P energy: -46.682 tors. eta vs tors. theta energy: -97.313 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: 1 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1142.269373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.269373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.269373 (E_RNA) where: Base-Base interactions energy: -809.022 where: short stacking energy: -328.160 Base-Backbone interact. energy: -3.251 local terms energy: -329.996400 where: bonds (distance) C4'-P energy: -65.525 bonds (distance) P-C4' energy: -55.337 flat angles C4'-P-C4' energy: -79.239 flat angles P-C4'-P energy: -46.460 tors. eta vs tors. theta energy: -83.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1107.114617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.114617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.114617 (E_RNA) where: Base-Base interactions energy: -766.355 where: short stacking energy: -331.946 Base-Backbone interact. energy: -2.352 local terms energy: -338.407228 where: bonds (distance) C4'-P energy: -54.619 bonds (distance) P-C4' energy: -64.363 flat angles C4'-P-C4' energy: -74.428 flat angles P-C4'-P energy: -49.938 tors. eta vs tors. theta energy: -95.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1035.966857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.966857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.966857 (E_RNA) where: Base-Base interactions energy: -740.810 where: short stacking energy: -308.607 Base-Backbone interact. energy: 0.799 local terms energy: -295.955565 where: bonds (distance) C4'-P energy: -52.419 bonds (distance) P-C4' energy: -62.182 flat angles C4'-P-C4' energy: -64.675 flat angles P-C4'-P energy: -34.913 tors. eta vs tors. theta energy: -81.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1039.805734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.805734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.805734 (E_RNA) where: Base-Base interactions energy: -740.451 where: short stacking energy: -298.725 Base-Backbone interact. energy: -3.389 local terms energy: -295.966448 where: bonds (distance) C4'-P energy: -53.448 bonds (distance) P-C4' energy: -58.126 flat angles C4'-P-C4' energy: -65.904 flat angles P-C4'-P energy: -39.085 tors. eta vs tors. theta energy: -79.404 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: 414 Temperature: 1.150000 Total energy: -982.866078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.866078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.866078 (E_RNA) where: Base-Base interactions energy: -697.043 where: short stacking energy: -267.295 Base-Backbone interact. energy: -1.884 local terms energy: -283.938885 where: bonds (distance) C4'-P energy: -69.364 bonds (distance) P-C4' energy: -49.495 flat angles C4'-P-C4' energy: -61.330 flat angles P-C4'-P energy: -38.174 tors. eta vs tors. theta energy: -65.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -862.286391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.286391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.286391 (E_RNA) where: Base-Base interactions energy: -596.147 where: short stacking energy: -245.395 Base-Backbone interact. energy: -0.656 local terms energy: -265.483099 where: bonds (distance) C4'-P energy: -51.686 bonds (distance) P-C4' energy: -57.750 flat angles C4'-P-C4' energy: -66.877 flat angles P-C4'-P energy: -41.077 tors. eta vs tors. theta energy: -48.093 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: 3 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -737.220858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.220858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.220858 (E_RNA) where: Base-Base interactions energy: -488.956 where: short stacking energy: -211.125 Base-Backbone interact. energy: -1.017 local terms energy: -247.247327 where: bonds (distance) C4'-P energy: -54.069 bonds (distance) P-C4' energy: -62.192 flat angles C4'-P-C4' energy: -51.231 flat angles P-C4'-P energy: -27.550 tors. eta vs tors. theta energy: -52.206 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: 7 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -698.102520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.102520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.102520 (E_RNA) where: Base-Base interactions energy: -457.527 where: short stacking energy: -196.833 Base-Backbone interact. energy: -1.164 local terms energy: -239.410846 where: bonds (distance) C4'-P energy: -49.868 bonds (distance) P-C4' energy: -52.714 flat angles C4'-P-C4' energy: -59.685 flat angles P-C4'-P energy: -27.436 tors. eta vs tors. theta energy: -49.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -593.014740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.014740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.014740 (E_RNA) where: Base-Base interactions energy: -375.949 where: short stacking energy: -163.114 Base-Backbone interact. energy: -1.705 local terms energy: -215.360526 where: bonds (distance) C4'-P energy: -47.545 bonds (distance) P-C4' energy: -50.608 flat angles C4'-P-C4' energy: -53.519 flat angles P-C4'-P energy: -28.953 tors. eta vs tors. theta energy: -34.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1205.757166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.757166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.757166 (E_RNA) where: Base-Base interactions energy: -854.980 where: short stacking energy: -352.774 Base-Backbone interact. energy: -1.226 local terms energy: -349.551392 where: bonds (distance) C4'-P energy: -65.402 bonds (distance) P-C4' energy: -63.817 flat angles C4'-P-C4' energy: -72.188 flat angles P-C4'-P energy: -50.883 tors. eta vs tors. theta energy: -97.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1133.588456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.588456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.588456 (E_RNA) where: Base-Base interactions energy: -795.018 where: short stacking energy: -353.530 Base-Backbone interact. energy: 1.828 local terms energy: -340.398547 where: bonds (distance) C4'-P energy: -65.197 bonds (distance) P-C4' energy: -57.138 flat angles C4'-P-C4' energy: -73.422 flat angles P-C4'-P energy: -47.353 tors. eta vs tors. theta energy: -97.289 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: 1 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1130.104797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.104797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.104797 (E_RNA) where: Base-Base interactions energy: -818.251 where: short stacking energy: -325.796 Base-Backbone interact. energy: -1.770 local terms energy: -310.084206 where: bonds (distance) C4'-P energy: -64.501 bonds (distance) P-C4' energy: -51.029 flat angles C4'-P-C4' energy: -62.170 flat angles P-C4'-P energy: -45.368 tors. eta vs tors. theta energy: -87.017 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: 4, replica: 9 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1037.312844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.312844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.312844 (E_RNA) where: Base-Base interactions energy: -735.718 where: short stacking energy: -301.155 Base-Backbone interact. energy: -0.712 local terms energy: -300.882526 where: bonds (distance) C4'-P energy: -50.312 bonds (distance) P-C4' energy: -55.627 flat angles C4'-P-C4' energy: -67.199 flat angles P-C4'-P energy: -48.220 tors. eta vs tors. theta energy: -79.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1033.008577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.008577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.008577 (E_RNA) where: Base-Base interactions energy: -729.314 where: short stacking energy: -294.311 Base-Backbone interact. energy: -0.886 local terms energy: -302.808628 where: bonds (distance) C4'-P energy: -55.618 bonds (distance) P-C4' energy: -60.350 flat angles C4'-P-C4' energy: -62.911 flat angles P-C4'-P energy: -50.474 tors. eta vs tors. theta energy: -73.456 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: 415 Temperature: 1.150000 Total energy: -1011.707237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.707237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.707237 (E_RNA) where: Base-Base interactions energy: -705.188 where: short stacking energy: -280.245 Base-Backbone interact. energy: -0.540 local terms energy: -305.979772 where: bonds (distance) C4'-P energy: -55.260 bonds (distance) P-C4' energy: -65.355 flat angles C4'-P-C4' energy: -66.218 flat angles P-C4'-P energy: -44.440 tors. eta vs tors. theta energy: -74.707 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: 8 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -821.864609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.864609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.864609 (E_RNA) where: Base-Base interactions energy: -561.151 where: short stacking energy: -239.478 Base-Backbone interact. energy: -0.188 local terms energy: -260.525921 where: bonds (distance) C4'-P energy: -51.570 bonds (distance) P-C4' energy: -56.698 flat angles C4'-P-C4' energy: -59.689 flat angles P-C4'-P energy: -40.850 tors. eta vs tors. theta energy: -51.719 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: 7 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -769.837463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.837463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.837463 (E_RNA) where: Base-Base interactions energy: -524.312 where: short stacking energy: -223.486 Base-Backbone interact. energy: -0.508 local terms energy: -245.017706 where: bonds (distance) C4'-P energy: -53.249 bonds (distance) P-C4' energy: -56.163 flat angles C4'-P-C4' energy: -57.276 flat angles P-C4'-P energy: -29.335 tors. eta vs tors. theta energy: -48.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -704.674437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.674437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.674437 (E_RNA) where: Base-Base interactions energy: -459.155 where: short stacking energy: -204.587 Base-Backbone interact. energy: -0.443 local terms energy: -245.076215 where: bonds (distance) C4'-P energy: -53.462 bonds (distance) P-C4' energy: -58.415 flat angles C4'-P-C4' energy: -54.933 flat angles P-C4'-P energy: -30.383 tors. eta vs tors. theta energy: -47.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -638.064136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.064136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.064136 (E_RNA) where: Base-Base interactions energy: -412.740 where: short stacking energy: -178.417 Base-Backbone interact. energy: -2.779 local terms energy: -222.544892 where: bonds (distance) C4'-P energy: -54.591 bonds (distance) P-C4' energy: -45.970 flat angles C4'-P-C4' energy: -60.347 flat angles P-C4'-P energy: -30.317 tors. eta vs tors. theta energy: -31.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1209.680750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.680750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.680750 (E_RNA) where: Base-Base interactions energy: -865.427 where: short stacking energy: -363.136 Base-Backbone interact. energy: -0.991 local terms energy: -343.263205 where: bonds (distance) C4'-P energy: -62.760 bonds (distance) P-C4' energy: -71.263 flat angles C4'-P-C4' energy: -75.960 flat angles P-C4'-P energy: -39.861 tors. eta vs tors. theta energy: -93.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1131.327305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.327305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.327305 (E_RNA) where: Base-Base interactions energy: -790.646 where: short stacking energy: -329.592 Base-Backbone interact. energy: -0.500 local terms energy: -340.182213 where: bonds (distance) C4'-P energy: -59.697 bonds (distance) P-C4' energy: -69.361 flat angles C4'-P-C4' energy: -76.643 flat angles P-C4'-P energy: -44.509 tors. eta vs tors. theta energy: -89.972 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: 3, replica: 1 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1106.409086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.409086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.409086 (E_RNA) where: Base-Base interactions energy: -789.502 where: short stacking energy: -313.416 Base-Backbone interact. energy: -4.323 local terms energy: -312.583901 where: bonds (distance) C4'-P energy: -57.312 bonds (distance) P-C4' energy: -62.228 flat angles C4'-P-C4' energy: -72.609 flat angles P-C4'-P energy: -44.464 tors. eta vs tors. theta energy: -75.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1080.860060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.860060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.860060 (E_RNA) where: Base-Base interactions energy: -772.502 where: short stacking energy: -327.078 Base-Backbone interact. energy: -0.258 local terms energy: -308.099903 where: bonds (distance) C4'-P energy: -57.994 bonds (distance) P-C4' energy: -56.683 flat angles C4'-P-C4' energy: -69.879 flat angles P-C4'-P energy: -45.918 tors. eta vs tors. theta energy: -77.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1040.347052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.347052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.347052 (E_RNA) where: Base-Base interactions energy: -747.596 where: short stacking energy: -318.242 Base-Backbone interact. energy: -1.511 local terms energy: -291.240175 where: bonds (distance) C4'-P energy: -54.777 bonds (distance) P-C4' energy: -51.054 flat angles C4'-P-C4' energy: -64.841 flat angles P-C4'-P energy: -34.461 tors. eta vs tors. theta energy: -86.107 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: 6, replica: 6 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -994.021241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.021241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.021241 (E_RNA) where: Base-Base interactions energy: -699.945 where: short stacking energy: -301.468 Base-Backbone interact. energy: -2.033 local terms energy: -292.043300 where: bonds (distance) C4'-P energy: -59.407 bonds (distance) P-C4' energy: -49.886 flat angles C4'-P-C4' energy: -58.525 flat angles P-C4'-P energy: -42.602 tors. eta vs tors. theta energy: -81.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -828.807836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.807836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.807836 (E_RNA) where: Base-Base interactions energy: -566.754 where: short stacking energy: -255.096 Base-Backbone interact. energy: -0.847 local terms energy: -261.206804 where: bonds (distance) C4'-P energy: -50.485 bonds (distance) P-C4' energy: -54.791 flat angles C4'-P-C4' energy: -60.393 flat angles P-C4'-P energy: -40.181 tors. eta vs tors. theta energy: -55.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -804.209706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.209706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.209706 (E_RNA) where: Base-Base interactions energy: -537.937 where: short stacking energy: -234.783 Base-Backbone interact. energy: 0.651 local terms energy: -266.922997 where: bonds (distance) C4'-P energy: -57.453 bonds (distance) P-C4' energy: -64.136 flat angles C4'-P-C4' energy: -56.844 flat angles P-C4'-P energy: -41.381 tors. eta vs tors. theta energy: -47.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -686.428878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.428878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.428878 (E_RNA) where: Base-Base interactions energy: -453.674 where: short stacking energy: -213.390 Base-Backbone interact. energy: -0.143 local terms energy: -232.611313 where: bonds (distance) C4'-P energy: -57.677 bonds (distance) P-C4' energy: -50.449 flat angles C4'-P-C4' energy: -56.363 flat angles P-C4'-P energy: -28.508 tors. eta vs tors. theta energy: -39.614 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: 2 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -624.243694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.243694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.243694 (E_RNA) where: Base-Base interactions energy: -400.947 where: short stacking energy: -190.575 Base-Backbone interact. energy: -2.718 local terms energy: -220.579350 where: bonds (distance) C4'-P energy: -53.727 bonds (distance) P-C4' energy: -58.658 flat angles C4'-P-C4' energy: -56.035 flat angles P-C4'-P energy: -18.800 tors. eta vs tors. theta energy: -33.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1202.823396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.823396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.823396 (E_RNA) where: Base-Base interactions energy: -850.922 where: short stacking energy: -353.497 Base-Backbone interact. energy: -1.100 local terms energy: -350.801027 where: bonds (distance) C4'-P energy: -68.169 bonds (distance) P-C4' energy: -73.484 flat angles C4'-P-C4' energy: -72.334 flat angles P-C4'-P energy: -46.132 tors. eta vs tors. theta energy: -90.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1146.016006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.016006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.016006 (E_RNA) where: Base-Base interactions energy: -811.630 where: short stacking energy: -325.573 Base-Backbone interact. energy: -2.401 local terms energy: -331.984949 where: bonds (distance) C4'-P energy: -61.906 bonds (distance) P-C4' energy: -61.917 flat angles C4'-P-C4' energy: -69.145 flat angles P-C4'-P energy: -49.681 tors. eta vs tors. theta energy: -89.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1115.918689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.918689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.918689 (E_RNA) where: Base-Base interactions energy: -771.013 where: short stacking energy: -327.274 Base-Backbone interact. energy: -0.255 local terms energy: -344.650579 where: bonds (distance) C4'-P energy: -63.469 bonds (distance) P-C4' energy: -68.899 flat angles C4'-P-C4' energy: -74.784 flat angles P-C4'-P energy: -46.851 tors. eta vs tors. theta energy: -90.648 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: 9 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1071.283351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.283351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.283351 (E_RNA) where: Base-Base interactions energy: -759.316 where: short stacking energy: -315.347 Base-Backbone interact. energy: 1.237 local terms energy: -313.204375 where: bonds (distance) C4'-P energy: -55.161 bonds (distance) P-C4' energy: -74.559 flat angles C4'-P-C4' energy: -66.376 flat angles P-C4'-P energy: -36.948 tors. eta vs tors. theta energy: -80.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1068.423118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.423118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.423118 (E_RNA) where: Base-Base interactions energy: -757.556 where: short stacking energy: -325.316 Base-Backbone interact. energy: -2.271 local terms energy: -308.595748 where: bonds (distance) C4'-P energy: -43.190 bonds (distance) P-C4' energy: -58.524 flat angles C4'-P-C4' energy: -71.174 flat angles P-C4'-P energy: -49.857 tors. eta vs tors. theta energy: -85.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -991.405369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.405369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.405369 (E_RNA) where: Base-Base interactions energy: -711.855 where: short stacking energy: -291.381 Base-Backbone interact. energy: -0.669 local terms energy: -278.881144 where: bonds (distance) C4'-P energy: -53.073 bonds (distance) P-C4' energy: -45.934 flat angles C4'-P-C4' energy: -66.260 flat angles P-C4'-P energy: -38.406 tors. eta vs tors. theta energy: -75.208 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: 7 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -884.161342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.161342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.161342 (E_RNA) where: Base-Base interactions energy: -614.098 where: short stacking energy: -262.797 Base-Backbone interact. energy: 0.611 local terms energy: -270.673914 where: bonds (distance) C4'-P energy: -51.896 bonds (distance) P-C4' energy: -58.605 flat angles C4'-P-C4' energy: -55.003 flat angles P-C4'-P energy: -35.915 tors. eta vs tors. theta energy: -69.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -790.651770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.651770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.651770 (E_RNA) where: Base-Base interactions energy: -557.020 where: short stacking energy: -221.056 Base-Backbone interact. energy: -2.267 local terms energy: -231.364769 where: bonds (distance) C4'-P energy: -43.056 bonds (distance) P-C4' energy: -50.872 flat angles C4'-P-C4' energy: -58.734 flat angles P-C4'-P energy: -32.224 tors. eta vs tors. theta energy: -46.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -675.535617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.535617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.535617 (E_RNA) where: Base-Base interactions energy: -450.219 where: short stacking energy: -202.661 Base-Backbone interact. energy: -0.796 local terms energy: -224.521326 where: bonds (distance) C4'-P energy: -50.229 bonds (distance) P-C4' energy: -58.612 flat angles C4'-P-C4' energy: -47.492 flat angles P-C4'-P energy: -27.552 tors. eta vs tors. theta energy: -40.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -591.632917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.632917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.632917 (E_RNA) where: Base-Base interactions energy: -372.135 where: short stacking energy: -176.084 Base-Backbone interact. energy: -0.013 local terms energy: -219.485035 where: bonds (distance) C4'-P energy: -56.117 bonds (distance) P-C4' energy: -54.672 flat angles C4'-P-C4' energy: -43.826 flat angles P-C4'-P energy: -31.411 tors. eta vs tors. theta energy: -33.459 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: 1, replica: 10 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1204.879464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.879464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.879464 (E_RNA) where: Base-Base interactions energy: -861.074 where: short stacking energy: -357.435 Base-Backbone interact. energy: -0.685 local terms energy: -343.121001 where: bonds (distance) C4'-P energy: -68.424 bonds (distance) P-C4' energy: -63.112 flat angles C4'-P-C4' energy: -73.254 flat angles P-C4'-P energy: -51.043 tors. eta vs tors. theta energy: -87.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1157.233454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.233454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.233454 (E_RNA) where: Base-Base interactions energy: -835.170 where: short stacking energy: -321.523 Base-Backbone interact. energy: -1.211 local terms energy: -320.852795 where: bonds (distance) C4'-P energy: -62.951 bonds (distance) P-C4' energy: -58.793 flat angles C4'-P-C4' energy: -69.842 flat angles P-C4'-P energy: -44.718 tors. eta vs tors. theta energy: -84.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1118.715401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.715401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.715401 (E_RNA) where: Base-Base interactions energy: -763.966 where: short stacking energy: -335.559 Base-Backbone interact. energy: -1.353 local terms energy: -353.396684 where: bonds (distance) C4'-P energy: -60.273 bonds (distance) P-C4' energy: -65.229 flat angles C4'-P-C4' energy: -73.683 flat angles P-C4'-P energy: -54.171 tors. eta vs tors. theta energy: -100.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1083.290770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.290770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.290770 (E_RNA) where: Base-Base interactions energy: -772.763 where: short stacking energy: -321.397 Base-Backbone interact. energy: -1.446 local terms energy: -309.081835 where: bonds (distance) C4'-P energy: -49.942 bonds (distance) P-C4' energy: -63.609 flat angles C4'-P-C4' energy: -63.035 flat angles P-C4'-P energy: -46.311 tors. eta vs tors. theta energy: -86.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1057.840459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.840459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.840459 (E_RNA) where: Base-Base interactions energy: -742.336 where: short stacking energy: -320.100 Base-Backbone interact. energy: -0.613 local terms energy: -314.891002 where: bonds (distance) C4'-P energy: -50.543 bonds (distance) P-C4' energy: -63.202 flat angles C4'-P-C4' energy: -74.904 flat angles P-C4'-P energy: -34.942 tors. eta vs tors. theta energy: -91.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -991.041465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.041465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.041465 (E_RNA) where: Base-Base interactions energy: -702.467 where: short stacking energy: -274.320 Base-Backbone interact. energy: 0.084 local terms energy: -288.657725 where: bonds (distance) C4'-P energy: -50.642 bonds (distance) P-C4' energy: -65.266 flat angles C4'-P-C4' energy: -63.362 flat angles P-C4'-P energy: -43.220 tors. eta vs tors. theta energy: -66.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -883.527052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.527052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.527052 (E_RNA) where: Base-Base interactions energy: -594.789 where: short stacking energy: -259.494 Base-Backbone interact. energy: -0.638 local terms energy: -288.099643 where: bonds (distance) C4'-P energy: -60.161 bonds (distance) P-C4' energy: -49.727 flat angles C4'-P-C4' energy: -71.000 flat angles P-C4'-P energy: -35.549 tors. eta vs tors. theta energy: -71.662 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: 8, replica: 8 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -834.749831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.749831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.749831 (E_RNA) where: Base-Base interactions energy: -571.766 where: short stacking energy: -243.636 Base-Backbone interact. energy: -1.074 local terms energy: -261.908943 where: bonds (distance) C4'-P energy: -53.944 bonds (distance) P-C4' energy: -48.757 flat angles C4'-P-C4' energy: -48.548 flat angles P-C4'-P energy: -51.136 tors. eta vs tors. theta energy: -59.524 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: 3 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -698.289305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.289305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.289305 (E_RNA) where: Base-Base interactions energy: -467.229 where: short stacking energy: -191.589 Base-Backbone interact. energy: 0.393 local terms energy: -231.453768 where: bonds (distance) C4'-P energy: -47.828 bonds (distance) P-C4' energy: -45.908 flat angles C4'-P-C4' energy: -64.596 flat angles P-C4'-P energy: -31.461 tors. eta vs tors. theta energy: -41.660 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: 10, replica: 2 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -587.894046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.894046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.894046 (E_RNA) where: Base-Base interactions energy: -391.232 where: short stacking energy: -192.038 Base-Backbone interact. energy: -0.688 local terms energy: -195.973399 where: bonds (distance) C4'-P energy: -49.438 bonds (distance) P-C4' energy: -44.471 flat angles C4'-P-C4' energy: -38.244 flat angles P-C4'-P energy: -35.813 tors. eta vs tors. theta energy: -28.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1217.491668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.491668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.491668 (E_RNA) where: Base-Base interactions energy: -870.276 where: short stacking energy: -373.518 Base-Backbone interact. energy: -2.001 local terms energy: -345.215144 where: bonds (distance) C4'-P energy: -64.156 bonds (distance) P-C4' energy: -67.072 flat angles C4'-P-C4' energy: -67.320 flat angles P-C4'-P energy: -52.113 tors. eta vs tors. theta energy: -94.555 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: 1 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1145.161055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.161055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.161055 (E_RNA) where: Base-Base interactions energy: -819.255 where: short stacking energy: -322.389 Base-Backbone interact. energy: -1.669 local terms energy: -324.236609 where: bonds (distance) C4'-P energy: -59.948 bonds (distance) P-C4' energy: -60.591 flat angles C4'-P-C4' energy: -67.830 flat angles P-C4'-P energy: -49.655 tors. eta vs tors. theta energy: -86.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1128.625086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.625086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.625086 (E_RNA) where: Base-Base interactions energy: -790.939 where: short stacking energy: -340.336 Base-Backbone interact. energy: -0.549 local terms energy: -337.136741 where: bonds (distance) C4'-P energy: -60.789 bonds (distance) P-C4' energy: -58.898 flat angles C4'-P-C4' energy: -72.036 flat angles P-C4'-P energy: -49.697 tors. eta vs tors. theta energy: -95.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1071.696171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.696171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.696171 (E_RNA) where: Base-Base interactions energy: -765.641 where: short stacking energy: -312.303 Base-Backbone interact. energy: -3.473 local terms energy: -302.582530 where: bonds (distance) C4'-P energy: -50.692 bonds (distance) P-C4' energy: -60.438 flat angles C4'-P-C4' energy: -63.208 flat angles P-C4'-P energy: -53.683 tors. eta vs tors. theta energy: -74.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1060.962766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.962766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.962766 (E_RNA) where: Base-Base interactions energy: -757.096 where: short stacking energy: -329.707 Base-Backbone interact. energy: -1.347 local terms energy: -302.519791 where: bonds (distance) C4'-P energy: -48.441 bonds (distance) P-C4' energy: -51.368 flat angles C4'-P-C4' energy: -69.576 flat angles P-C4'-P energy: -39.648 tors. eta vs tors. theta energy: -93.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -980.790789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.790789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.790789 (E_RNA) where: Base-Base interactions energy: -691.500 where: short stacking energy: -278.422 Base-Backbone interact. energy: -0.003 local terms energy: -289.287336 where: bonds (distance) C4'-P energy: -60.533 bonds (distance) P-C4' energy: -53.036 flat angles C4'-P-C4' energy: -63.659 flat angles P-C4'-P energy: -38.388 tors. eta vs tors. theta energy: -73.672 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: 7 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -827.579262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.579262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.579262 (E_RNA) where: Base-Base interactions energy: -573.173 where: short stacking energy: -262.606 Base-Backbone interact. energy: 0.510 local terms energy: -254.916089 where: bonds (distance) C4'-P energy: -52.547 bonds (distance) P-C4' energy: -42.947 flat angles C4'-P-C4' energy: -56.290 flat angles P-C4'-P energy: -37.870 tors. eta vs tors. theta energy: -65.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -774.217001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.217001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.217001 (E_RNA) where: Base-Base interactions energy: -518.110 where: short stacking energy: -219.557 Base-Backbone interact. energy: -0.647 local terms energy: -255.459945 where: bonds (distance) C4'-P energy: -48.050 bonds (distance) P-C4' energy: -68.881 flat angles C4'-P-C4' energy: -58.684 flat angles P-C4'-P energy: -26.735 tors. eta vs tors. theta energy: -53.111 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: 419 Temperature: 1.300000 Total energy: -664.354636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.354636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.354636 (E_RNA) where: Base-Base interactions energy: -439.323 where: short stacking energy: -200.936 Base-Backbone interact. energy: -0.231 local terms energy: -224.800786 where: bonds (distance) C4'-P energy: -44.120 bonds (distance) P-C4' energy: -57.246 flat angles C4'-P-C4' energy: -50.141 flat angles P-C4'-P energy: -39.142 tors. eta vs tors. theta energy: -34.152 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: 2 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -595.920192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.920192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.920192 (E_RNA) where: Base-Base interactions energy: -389.504 where: short stacking energy: -173.473 Base-Backbone interact. energy: 1.165 local terms energy: -207.580854 where: bonds (distance) C4'-P energy: -49.859 bonds (distance) P-C4' energy: -62.327 flat angles C4'-P-C4' energy: -42.680 flat angles P-C4'-P energy: -28.038 tors. eta vs tors. theta energy: -24.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1203.973568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.973568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.973568 (E_RNA) where: Base-Base interactions energy: -874.883 where: short stacking energy: -364.082 Base-Backbone interact. energy: -0.780 local terms energy: -328.311148 where: bonds (distance) C4'-P energy: -55.594 bonds (distance) P-C4' energy: -68.088 flat angles C4'-P-C4' energy: -73.651 flat angles P-C4'-P energy: -44.605 tors. eta vs tors. theta energy: -86.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1136.441222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.441222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.441222 (E_RNA) where: Base-Base interactions energy: -826.622 where: short stacking energy: -324.438 Base-Backbone interact. energy: -2.205 local terms energy: -307.613475 where: bonds (distance) C4'-P energy: -54.257 bonds (distance) P-C4' energy: -59.951 flat angles C4'-P-C4' energy: -63.944 flat angles P-C4'-P energy: -50.807 tors. eta vs tors. theta energy: -78.654 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: 4 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1110.855371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.855371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.855371 (E_RNA) where: Base-Base interactions energy: -772.918 where: short stacking energy: -334.946 Base-Backbone interact. energy: -1.018 local terms energy: -336.919033 where: bonds (distance) C4'-P energy: -60.124 bonds (distance) P-C4' energy: -64.645 flat angles C4'-P-C4' energy: -72.735 flat angles P-C4'-P energy: -40.238 tors. eta vs tors. theta energy: -99.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1069.274270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.274270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.274270 (E_RNA) where: Base-Base interactions energy: -754.931 where: short stacking energy: -304.775 Base-Backbone interact. energy: 0.308 local terms energy: -314.650628 where: bonds (distance) C4'-P energy: -63.883 bonds (distance) P-C4' energy: -63.154 flat angles C4'-P-C4' energy: -69.552 flat angles P-C4'-P energy: -44.252 tors. eta vs tors. theta energy: -73.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1063.880174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.880174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.880174 (E_RNA) where: Base-Base interactions energy: -733.722 where: short stacking energy: -329.185 Base-Backbone interact. energy: -2.889 local terms energy: -327.269281 where: bonds (distance) C4'-P energy: -67.064 bonds (distance) P-C4' energy: -57.001 flat angles C4'-P-C4' energy: -70.587 flat angles P-C4'-P energy: -43.598 tors. eta vs tors. theta energy: -89.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1013.964458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.964458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.964458 (E_RNA) where: Base-Base interactions energy: -721.586 where: short stacking energy: -304.663 Base-Backbone interact. energy: 2.437 local terms energy: -294.814941 where: bonds (distance) C4'-P energy: -49.105 bonds (distance) P-C4' energy: -53.528 flat angles C4'-P-C4' energy: -68.900 flat angles P-C4'-P energy: -36.621 tors. eta vs tors. theta energy: -86.660 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: 420 Temperature: 1.200000 Total energy: -839.454208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.454208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.454208 (E_RNA) where: Base-Base interactions energy: -590.219 where: short stacking energy: -239.605 Base-Backbone interact. energy: -0.231 local terms energy: -249.004923 where: bonds (distance) C4'-P energy: -50.854 bonds (distance) P-C4' energy: -50.971 flat angles C4'-P-C4' energy: -57.460 flat angles P-C4'-P energy: -36.842 tors. eta vs tors. theta energy: -52.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -800.173774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.173774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.173774 (E_RNA) where: Base-Base interactions energy: -533.861 where: short stacking energy: -221.016 Base-Backbone interact. energy: -1.409 local terms energy: -264.903537 where: bonds (distance) C4'-P energy: -59.946 bonds (distance) P-C4' energy: -64.471 flat angles C4'-P-C4' energy: -57.283 flat angles P-C4'-P energy: -38.569 tors. eta vs tors. theta energy: -44.634 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: 420 Temperature: 1.300000 Total energy: -659.041279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.041279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.041279 (E_RNA) where: Base-Base interactions energy: -436.840 where: short stacking energy: -193.740 Base-Backbone interact. energy: 0.229 local terms energy: -222.430962 where: bonds (distance) C4'-P energy: -55.883 bonds (distance) P-C4' energy: -55.224 flat angles C4'-P-C4' energy: -52.918 flat angles P-C4'-P energy: -31.126 tors. eta vs tors. theta energy: -27.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -608.372540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.372540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.372540 (E_RNA) where: Base-Base interactions energy: -383.018 where: short stacking energy: -194.925 Base-Backbone interact. energy: -1.864 local terms energy: -223.490564 where: bonds (distance) C4'-P energy: -41.217 bonds (distance) P-C4' energy: -54.609 flat angles C4'-P-C4' energy: -55.024 flat angles P-C4'-P energy: -30.672 tors. eta vs tors. theta energy: -41.968 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: 10 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1187.430082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.430082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.430082 (E_RNA) where: Base-Base interactions energy: -838.530 where: short stacking energy: -346.610 Base-Backbone interact. energy: -0.024 local terms energy: -348.876004 where: bonds (distance) C4'-P energy: -66.511 bonds (distance) P-C4' energy: -67.926 flat angles C4'-P-C4' energy: -72.993 flat angles P-C4'-P energy: -51.261 tors. eta vs tors. theta energy: -90.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1151.215722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.215722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.215722 (E_RNA) where: Base-Base interactions energy: -814.881 where: short stacking energy: -355.665 Base-Backbone interact. energy: -0.031 local terms energy: -336.304449 where: bonds (distance) C4'-P energy: -54.765 bonds (distance) P-C4' energy: -60.816 flat angles C4'-P-C4' energy: -70.198 flat angles P-C4'-P energy: -41.022 tors. eta vs tors. theta energy: -109.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1120.506308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.506308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.506308 (E_RNA) where: Base-Base interactions energy: -804.420 where: short stacking energy: -325.404 Base-Backbone interact. energy: -1.111 local terms energy: -314.975564 where: bonds (distance) C4'-P energy: -54.096 bonds (distance) P-C4' energy: -62.659 flat angles C4'-P-C4' energy: -73.521 flat angles P-C4'-P energy: -43.052 tors. eta vs tors. theta energy: -81.648 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: 421 Temperature: 1.050000 Total energy: -1083.670163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.670163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.670163 (E_RNA) where: Base-Base interactions energy: -786.214 where: short stacking energy: -333.443 Base-Backbone interact. energy: -0.648 local terms energy: -296.808284 where: bonds (distance) C4'-P energy: -50.195 bonds (distance) P-C4' energy: -53.983 flat angles C4'-P-C4' energy: -58.165 flat angles P-C4'-P energy: -45.048 tors. eta vs tors. theta energy: -89.418 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: 5, replica: 9 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1045.308156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.308156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.308156 (E_RNA) where: Base-Base interactions energy: -744.101 where: short stacking energy: -306.682 Base-Backbone interact. energy: -0.504 local terms energy: -300.703370 where: bonds (distance) C4'-P energy: -54.044 bonds (distance) P-C4' energy: -65.928 flat angles C4'-P-C4' energy: -62.305 flat angles P-C4'-P energy: -39.548 tors. eta vs tors. theta energy: -78.880 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: 6 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -969.015179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.015179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.015179 (E_RNA) where: Base-Base interactions energy: -676.341 where: short stacking energy: -291.095 Base-Backbone interact. energy: 2.965 local terms energy: -295.639814 where: bonds (distance) C4'-P energy: -59.851 bonds (distance) P-C4' energy: -48.009 flat angles C4'-P-C4' energy: -62.132 flat angles P-C4'-P energy: -47.591 tors. eta vs tors. theta energy: -78.057 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: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -864.201743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.201743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.201743 (E_RNA) where: Base-Base interactions energy: -583.259 where: short stacking energy: -260.131 Base-Backbone interact. energy: -1.342 local terms energy: -279.600421 where: bonds (distance) C4'-P energy: -57.955 bonds (distance) P-C4' energy: -49.395 flat angles C4'-P-C4' energy: -57.830 flat angles P-C4'-P energy: -46.345 tors. eta vs tors. theta energy: -68.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -824.434187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.434187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.434187 (E_RNA) where: Base-Base interactions energy: -567.435 where: short stacking energy: -254.245 Base-Backbone interact. energy: -1.398 local terms energy: -255.600777 where: bonds (distance) C4'-P energy: -53.899 bonds (distance) P-C4' energy: -44.090 flat angles C4'-P-C4' energy: -53.496 flat angles P-C4'-P energy: -41.977 tors. eta vs tors. theta energy: -62.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -633.078385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.078385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.078385 (E_RNA) where: Base-Base interactions energy: -398.249 where: short stacking energy: -185.487 Base-Backbone interact. energy: -1.473 local terms energy: -233.356197 where: bonds (distance) C4'-P energy: -51.319 bonds (distance) P-C4' energy: -58.267 flat angles C4'-P-C4' energy: -53.405 flat angles P-C4'-P energy: -40.595 tors. eta vs tors. theta energy: -29.770 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: 2 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -592.052625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.052625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.052625 (E_RNA) where: Base-Base interactions energy: -379.540 where: short stacking energy: -178.652 Base-Backbone interact. energy: 0.405 local terms energy: -212.917570 where: bonds (distance) C4'-P energy: -51.497 bonds (distance) P-C4' energy: -54.661 flat angles C4'-P-C4' energy: -50.043 flat angles P-C4'-P energy: -29.883 tors. eta vs tors. theta energy: -26.833 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: 10 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1201.805977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.805977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.805977 (E_RNA) where: Base-Base interactions energy: -866.632 where: short stacking energy: -352.527 Base-Backbone interact. energy: -1.457 local terms energy: -333.717566 where: bonds (distance) C4'-P energy: -60.396 bonds (distance) P-C4' energy: -63.066 flat angles C4'-P-C4' energy: -69.828 flat angles P-C4'-P energy: -49.461 tors. eta vs tors. theta energy: -90.965 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: 422 Temperature: 0.950000 Total energy: -1142.193630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.193630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.193630 (E_RNA) where: Base-Base interactions energy: -803.748 where: short stacking energy: -348.876 Base-Backbone interact. energy: -1.715 local terms energy: -336.730411 where: bonds (distance) C4'-P energy: -56.842 bonds (distance) P-C4' energy: -56.224 flat angles C4'-P-C4' energy: -69.915 flat angles P-C4'-P energy: -55.602 tors. eta vs tors. theta energy: -98.147 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: 5 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1102.143476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.143476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.143476 (E_RNA) where: Base-Base interactions energy: -772.503 where: short stacking energy: -340.933 Base-Backbone interact. energy: -2.392 local terms energy: -327.248479 where: bonds (distance) C4'-P energy: -64.290 bonds (distance) P-C4' energy: -65.849 flat angles C4'-P-C4' energy: -60.119 flat angles P-C4'-P energy: -41.474 tors. eta vs tors. theta energy: -95.516 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: 1 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1101.419566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.419566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.419566 (E_RNA) where: Base-Base interactions energy: -788.673 where: short stacking energy: -315.576 Base-Backbone interact. energy: -1.307 local terms energy: -311.438852 where: bonds (distance) C4'-P energy: -56.696 bonds (distance) P-C4' energy: -52.233 flat angles C4'-P-C4' energy: -76.003 flat angles P-C4'-P energy: -45.351 tors. eta vs tors. theta energy: -81.156 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: 9 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1029.838194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.838194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.838194 (E_RNA) where: Base-Base interactions energy: -730.049 where: short stacking energy: -290.191 Base-Backbone interact. energy: -2.163 local terms energy: -297.625966 where: bonds (distance) C4'-P energy: -67.138 bonds (distance) P-C4' energy: -52.636 flat angles C4'-P-C4' energy: -56.164 flat angles P-C4'-P energy: -47.323 tors. eta vs tors. theta energy: -74.365 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: 6, replica: 6 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -964.157061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.157061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.157061 (E_RNA) where: Base-Base interactions energy: -671.118 where: short stacking energy: -269.298 Base-Backbone interact. energy: 1.130 local terms energy: -294.169206 where: bonds (distance) C4'-P energy: -55.228 bonds (distance) P-C4' energy: -66.884 flat angles C4'-P-C4' energy: -59.223 flat angles P-C4'-P energy: -42.800 tors. eta vs tors. theta energy: -70.034 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: 422 Temperature: 1.200000 Total energy: -901.972653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.972653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.972653 (E_RNA) where: Base-Base interactions energy: -632.790 where: short stacking energy: -286.825 Base-Backbone interact. energy: -1.250 local terms energy: -267.933318 where: bonds (distance) C4'-P energy: -52.599 bonds (distance) P-C4' energy: -38.058 flat angles C4'-P-C4' energy: -66.928 flat angles P-C4'-P energy: -35.888 tors. eta vs tors. theta energy: -74.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -851.321131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.321131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.321131 (E_RNA) where: Base-Base interactions energy: -583.324 where: short stacking energy: -235.222 Base-Backbone interact. energy: -0.636 local terms energy: -267.361138 where: bonds (distance) C4'-P energy: -56.768 bonds (distance) P-C4' energy: -51.734 flat angles C4'-P-C4' energy: -58.537 flat angles P-C4'-P energy: -43.404 tors. eta vs tors. theta energy: -56.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -617.460873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.460873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.460873 (E_RNA) where: Base-Base interactions energy: -397.899 where: short stacking energy: -183.856 Base-Backbone interact. energy: -1.347 local terms energy: -218.215661 where: bonds (distance) C4'-P energy: -56.137 bonds (distance) P-C4' energy: -51.038 flat angles C4'-P-C4' energy: -60.078 flat angles P-C4'-P energy: -34.409 tors. eta vs tors. theta energy: -16.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -611.644810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.644810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.644810 (E_RNA) where: Base-Base interactions energy: -415.452 where: short stacking energy: -194.462 Base-Backbone interact. energy: 4.278 local terms energy: -200.470828 where: bonds (distance) C4'-P energy: -46.520 bonds (distance) P-C4' energy: -44.174 flat angles C4'-P-C4' energy: -49.121 flat angles P-C4'-P energy: -27.558 tors. eta vs tors. theta energy: -33.098 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: 10 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1192.917370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.917370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.917370 (E_RNA) where: Base-Base interactions energy: -871.425 where: short stacking energy: -363.601 Base-Backbone interact. energy: -1.957 local terms energy: -319.535694 where: bonds (distance) C4'-P energy: -48.456 bonds (distance) P-C4' energy: -65.524 flat angles C4'-P-C4' energy: -69.240 flat angles P-C4'-P energy: -46.635 tors. eta vs tors. theta energy: -89.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1156.122077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.122077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.122077 (E_RNA) where: Base-Base interactions energy: -808.334 where: short stacking energy: -370.471 Base-Backbone interact. energy: -0.749 local terms energy: -347.038729 where: bonds (distance) C4'-P energy: -73.380 bonds (distance) P-C4' energy: -59.422 flat angles C4'-P-C4' energy: -68.025 flat angles P-C4'-P energy: -45.318 tors. eta vs tors. theta energy: -100.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1105.276789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.276789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.276789 (E_RNA) where: Base-Base interactions energy: -788.570 where: short stacking energy: -339.119 Base-Backbone interact. energy: -3.411 local terms energy: -313.295605 where: bonds (distance) C4'-P energy: -58.812 bonds (distance) P-C4' energy: -57.986 flat angles C4'-P-C4' energy: -64.646 flat angles P-C4'-P energy: -49.181 tors. eta vs tors. theta energy: -82.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1082.198260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.198260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.198260 (E_RNA) where: Base-Base interactions energy: -779.991 where: short stacking energy: -319.255 Base-Backbone interact. energy: -1.923 local terms energy: -300.284085 where: bonds (distance) C4'-P energy: -66.204 bonds (distance) P-C4' energy: -52.725 flat angles C4'-P-C4' energy: -67.468 flat angles P-C4'-P energy: -33.782 tors. eta vs tors. theta energy: -80.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1040.441304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.441304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.441304 (E_RNA) where: Base-Base interactions energy: -750.191 where: short stacking energy: -310.792 Base-Backbone interact. energy: -0.446 local terms energy: -289.804573 where: bonds (distance) C4'-P energy: -61.814 bonds (distance) P-C4' energy: -44.940 flat angles C4'-P-C4' energy: -60.456 flat angles P-C4'-P energy: -41.247 tors. eta vs tors. theta energy: -81.348 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: 7 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -915.700337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.700337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.700337 (E_RNA) where: Base-Base interactions energy: -647.489 where: short stacking energy: -287.140 Base-Backbone interact. energy: -0.908 local terms energy: -267.303619 where: bonds (distance) C4'-P energy: -53.952 bonds (distance) P-C4' energy: -51.948 flat angles C4'-P-C4' energy: -52.863 flat angles P-C4'-P energy: -36.281 tors. eta vs tors. theta energy: -72.259 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: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -871.190474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.190474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.190474 (E_RNA) where: Base-Base interactions energy: -610.255 where: short stacking energy: -245.567 Base-Backbone interact. energy: 0.654 local terms energy: -261.589106 where: bonds (distance) C4'-P energy: -61.739 bonds (distance) P-C4' energy: -53.338 flat angles C4'-P-C4' energy: -62.867 flat angles P-C4'-P energy: -31.458 tors. eta vs tors. theta energy: -52.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -879.596433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.596433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.596433 (E_RNA) where: Base-Base interactions energy: -596.881 where: short stacking energy: -260.439 Base-Backbone interact. energy: -0.138 local terms energy: -282.577747 where: bonds (distance) C4'-P energy: -58.689 bonds (distance) P-C4' energy: -63.428 flat angles C4'-P-C4' energy: -56.933 flat angles P-C4'-P energy: -44.006 tors. eta vs tors. theta energy: -59.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -639.952118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.952118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.952118 (E_RNA) where: Base-Base interactions energy: -420.807 where: short stacking energy: -199.504 Base-Backbone interact. energy: -1.160 local terms energy: -217.985080 where: bonds (distance) C4'-P energy: -52.092 bonds (distance) P-C4' energy: -54.033 flat angles C4'-P-C4' energy: -49.273 flat angles P-C4'-P energy: -27.980 tors. eta vs tors. theta energy: -34.607 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: 3 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -612.799755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.799755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.799755 (E_RNA) where: Base-Base interactions energy: -412.075 where: short stacking energy: -185.568 Base-Backbone interact. energy: -0.522 local terms energy: -200.203578 where: bonds (distance) C4'-P energy: -44.277 bonds (distance) P-C4' energy: -44.932 flat angles C4'-P-C4' energy: -50.915 flat angles P-C4'-P energy: -25.419 tors. eta vs tors. theta energy: -34.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1185.399715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.399715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.399715 (E_RNA) where: Base-Base interactions energy: -857.666 where: short stacking energy: -355.347 Base-Backbone interact. energy: 2.113 local terms energy: -329.847511 where: bonds (distance) C4'-P energy: -48.659 bonds (distance) P-C4' energy: -57.476 flat angles C4'-P-C4' energy: -77.176 flat angles P-C4'-P energy: -55.187 tors. eta vs tors. theta energy: -91.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1134.035641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.035641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.035641 (E_RNA) where: Base-Base interactions energy: -787.619 where: short stacking energy: -336.067 Base-Backbone interact. energy: -0.372 local terms energy: -346.044770 where: bonds (distance) C4'-P energy: -63.613 bonds (distance) P-C4' energy: -61.449 flat angles C4'-P-C4' energy: -74.526 flat angles P-C4'-P energy: -45.442 tors. eta vs tors. theta energy: -101.016 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: 3, replica: 5 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1113.044572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.044572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.044572 (E_RNA) where: Base-Base interactions energy: -784.155 where: short stacking energy: -335.557 Base-Backbone interact. energy: -0.650 local terms energy: -328.240022 where: bonds (distance) C4'-P energy: -60.155 bonds (distance) P-C4' energy: -62.906 flat angles C4'-P-C4' energy: -65.719 flat angles P-C4'-P energy: -49.306 tors. eta vs tors. theta energy: -90.154 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: 1 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1087.645627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.645627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.645627 (E_RNA) where: Base-Base interactions energy: -783.926 where: short stacking energy: -315.290 Base-Backbone interact. energy: -1.520 local terms energy: -302.199864 where: bonds (distance) C4'-P energy: -52.717 bonds (distance) P-C4' energy: -60.384 flat angles C4'-P-C4' energy: -70.295 flat angles P-C4'-P energy: -46.282 tors. eta vs tors. theta energy: -72.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1052.187844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.187844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.187844 (E_RNA) where: Base-Base interactions energy: -756.604 where: short stacking energy: -319.704 Base-Backbone interact. energy: -1.114 local terms energy: -294.469896 where: bonds (distance) C4'-P energy: -60.032 bonds (distance) P-C4' energy: -52.559 flat angles C4'-P-C4' energy: -63.638 flat angles P-C4'-P energy: -35.597 tors. eta vs tors. theta energy: -82.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -903.941978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.941978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.941978 (E_RNA) where: Base-Base interactions energy: -622.949 where: short stacking energy: -279.901 Base-Backbone interact. energy: 0.089 local terms energy: -281.081478 where: bonds (distance) C4'-P energy: -56.658 bonds (distance) P-C4' energy: -49.989 flat angles C4'-P-C4' energy: -59.710 flat angles P-C4'-P energy: -38.965 tors. eta vs tors. theta energy: -75.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -861.968953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.968953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.968953 (E_RNA) where: Base-Base interactions energy: -598.650 where: short stacking energy: -238.862 Base-Backbone interact. energy: -1.164 local terms energy: -262.154569 where: bonds (distance) C4'-P energy: -64.364 bonds (distance) P-C4' energy: -46.306 flat angles C4'-P-C4' energy: -55.685 flat angles P-C4'-P energy: -43.404 tors. eta vs tors. theta energy: -52.395 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: 8, replica: 6 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -859.299188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.299188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.299188 (E_RNA) where: Base-Base interactions energy: -587.208 where: short stacking energy: -230.687 Base-Backbone interact. energy: -1.866 local terms energy: -270.225414 where: bonds (distance) C4'-P energy: -49.843 bonds (distance) P-C4' energy: -61.462 flat angles C4'-P-C4' energy: -64.004 flat angles P-C4'-P energy: -41.746 tors. eta vs tors. theta energy: -53.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -614.532781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.532781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.532781 (E_RNA) where: Base-Base interactions energy: -398.876 where: short stacking energy: -177.266 Base-Backbone interact. energy: 0.411 local terms energy: -216.067919 where: bonds (distance) C4'-P energy: -46.019 bonds (distance) P-C4' energy: -51.571 flat angles C4'-P-C4' energy: -62.021 flat angles P-C4'-P energy: -34.044 tors. eta vs tors. theta energy: -22.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -605.644597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.644597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.644597 (E_RNA) where: Base-Base interactions energy: -408.164 where: short stacking energy: -198.832 Base-Backbone interact. energy: -0.745 local terms energy: -196.735255 where: bonds (distance) C4'-P energy: -42.890 bonds (distance) P-C4' energy: -54.155 flat angles C4'-P-C4' energy: -46.985 flat angles P-C4'-P energy: -27.571 tors. eta vs tors. theta energy: -25.135 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: 1, replica: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1211.441924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.441924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.441924 (E_RNA) where: Base-Base interactions energy: -870.327 where: short stacking energy: -361.488 Base-Backbone interact. energy: 1.557 local terms energy: -342.671639 where: bonds (distance) C4'-P energy: -61.944 bonds (distance) P-C4' energy: -73.208 flat angles C4'-P-C4' energy: -69.908 flat angles P-C4'-P energy: -46.602 tors. eta vs tors. theta energy: -91.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1145.793592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.793592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.793592 (E_RNA) where: Base-Base interactions energy: -804.558 where: short stacking energy: -352.398 Base-Backbone interact. energy: -1.208 local terms energy: -340.027734 where: bonds (distance) C4'-P energy: -57.663 bonds (distance) P-C4' energy: -57.930 flat angles C4'-P-C4' energy: -71.417 flat angles P-C4'-P energy: -51.839 tors. eta vs tors. theta energy: -101.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1114.194210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.194210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.194210 (E_RNA) where: Base-Base interactions energy: -777.397 where: short stacking energy: -345.647 Base-Backbone interact. energy: -3.426 local terms energy: -333.370467 where: bonds (distance) C4'-P energy: -56.734 bonds (distance) P-C4' energy: -59.069 flat angles C4'-P-C4' energy: -79.818 flat angles P-C4'-P energy: -46.284 tors. eta vs tors. theta energy: -91.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1103.927678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.927678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.927678 (E_RNA) where: Base-Base interactions energy: -758.496 where: short stacking energy: -328.351 Base-Backbone interact. energy: -3.157 local terms energy: -342.274578 where: bonds (distance) C4'-P energy: -61.976 bonds (distance) P-C4' energy: -64.776 flat angles C4'-P-C4' energy: -66.273 flat angles P-C4'-P energy: -52.424 tors. eta vs tors. theta energy: -96.826 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: 1 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1025.539555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.539555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.539555 (E_RNA) where: Base-Base interactions energy: -729.524 where: short stacking energy: -306.917 Base-Backbone interact. energy: 3.088 local terms energy: -299.103727 where: bonds (distance) C4'-P energy: -60.929 bonds (distance) P-C4' energy: -48.949 flat angles C4'-P-C4' energy: -65.565 flat angles P-C4'-P energy: -44.976 tors. eta vs tors. theta energy: -78.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -928.209860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.209860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.209860 (E_RNA) where: Base-Base interactions energy: -651.512 where: short stacking energy: -261.539 Base-Backbone interact. energy: 1.609 local terms energy: -278.307326 where: bonds (distance) C4'-P energy: -57.653 bonds (distance) P-C4' energy: -61.443 flat angles C4'-P-C4' energy: -70.574 flat angles P-C4'-P energy: -35.050 tors. eta vs tors. theta energy: -53.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -877.123278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.123278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.123278 (E_RNA) where: Base-Base interactions energy: -613.993 where: short stacking energy: -262.382 Base-Backbone interact. energy: -0.247 local terms energy: -262.883288 where: bonds (distance) C4'-P energy: -50.028 bonds (distance) P-C4' energy: -56.037 flat angles C4'-P-C4' energy: -52.840 flat angles P-C4'-P energy: -37.212 tors. eta vs tors. theta energy: -66.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -859.843823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.843823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.843823 (E_RNA) where: Base-Base interactions energy: -602.847 where: short stacking energy: -241.777 Base-Backbone interact. energy: -0.942 local terms energy: -256.054996 where: bonds (distance) C4'-P energy: -49.822 bonds (distance) P-C4' energy: -46.977 flat angles C4'-P-C4' energy: -58.100 flat angles P-C4'-P energy: -45.457 tors. eta vs tors. theta energy: -55.700 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: 2 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -675.866048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.866048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.866048 (E_RNA) where: Base-Base interactions energy: -443.978 where: short stacking energy: -199.967 Base-Backbone interact. energy: 2.796 local terms energy: -234.683650 where: bonds (distance) C4'-P energy: -48.711 bonds (distance) P-C4' energy: -50.617 flat angles C4'-P-C4' energy: -65.993 flat angles P-C4'-P energy: -32.138 tors. eta vs tors. theta energy: -37.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -591.127043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.127043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.127043 (E_RNA) where: Base-Base interactions energy: -382.165 where: short stacking energy: -164.241 Base-Backbone interact. energy: -1.020 local terms energy: -207.941730 where: bonds (distance) C4'-P energy: -50.853 bonds (distance) P-C4' energy: -58.693 flat angles C4'-P-C4' energy: -47.388 flat angles P-C4'-P energy: -34.067 tors. eta vs tors. theta energy: -16.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1207.942883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.942883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.942883 (E_RNA) where: Base-Base interactions energy: -854.241 where: short stacking energy: -357.435 Base-Backbone interact. energy: 3.297 local terms energy: -356.998693 where: bonds (distance) C4'-P energy: -65.539 bonds (distance) P-C4' energy: -68.948 flat angles C4'-P-C4' energy: -76.979 flat angles P-C4'-P energy: -54.519 tors. eta vs tors. theta energy: -91.013 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: 426 Temperature: 0.950000 Total energy: -1155.707825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.707825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.707825 (E_RNA) where: Base-Base interactions energy: -810.310 where: short stacking energy: -367.310 Base-Backbone interact. energy: -0.385 local terms energy: -345.013367 where: bonds (distance) C4'-P energy: -60.359 bonds (distance) P-C4' energy: -64.799 flat angles C4'-P-C4' energy: -73.042 flat angles P-C4'-P energy: -48.658 tors. eta vs tors. theta energy: -98.156 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: 3, replica: 5 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1119.551099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.551099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.551099 (E_RNA) where: Base-Base interactions energy: -798.850 where: short stacking energy: -343.569 Base-Backbone interact. energy: -1.853 local terms energy: -318.847704 where: bonds (distance) C4'-P energy: -42.045 bonds (distance) P-C4' energy: -66.162 flat angles C4'-P-C4' energy: -72.362 flat angles P-C4'-P energy: -47.899 tors. eta vs tors. theta energy: -90.380 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: 9 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1074.644839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.644839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.644839 (E_RNA) where: Base-Base interactions energy: -753.246 where: short stacking energy: -316.681 Base-Backbone interact. energy: -1.540 local terms energy: -319.858156 where: bonds (distance) C4'-P energy: -58.173 bonds (distance) P-C4' energy: -60.532 flat angles C4'-P-C4' energy: -70.841 flat angles P-C4'-P energy: -47.359 tors. eta vs tors. theta energy: -82.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1073.967585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.967585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.967585 (E_RNA) where: Base-Base interactions energy: -767.504 where: short stacking energy: -308.458 Base-Backbone interact. energy: -2.686 local terms energy: -303.777013 where: bonds (distance) C4'-P energy: -64.717 bonds (distance) P-C4' energy: -55.708 flat angles C4'-P-C4' energy: -66.035 flat angles P-C4'-P energy: -41.504 tors. eta vs tors. theta energy: -75.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -954.387707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.387707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.387707 (E_RNA) where: Base-Base interactions energy: -684.003 where: short stacking energy: -275.122 Base-Backbone interact. energy: 1.100 local terms energy: -271.484797 where: bonds (distance) C4'-P energy: -51.699 bonds (distance) P-C4' energy: -56.825 flat angles C4'-P-C4' energy: -57.755 flat angles P-C4'-P energy: -40.778 tors. eta vs tors. theta energy: -64.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -881.889523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.889523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.889523 (E_RNA) where: Base-Base interactions energy: -615.720 where: short stacking energy: -255.938 Base-Backbone interact. energy: -0.405 local terms energy: -265.764300 where: bonds (distance) C4'-P energy: -54.768 bonds (distance) P-C4' energy: -63.094 flat angles C4'-P-C4' energy: -58.821 flat angles P-C4'-P energy: -39.746 tors. eta vs tors. theta energy: -49.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -855.017524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.017524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.017524 (E_RNA) where: Base-Base interactions energy: -579.288 where: short stacking energy: -268.009 Base-Backbone interact. energy: -0.525 local terms energy: -275.204275 where: bonds (distance) C4'-P energy: -51.677 bonds (distance) P-C4' energy: -58.528 flat angles C4'-P-C4' energy: -51.962 flat angles P-C4'-P energy: -47.879 tors. eta vs tors. theta energy: -65.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -690.412916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.412916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.412916 (E_RNA) where: Base-Base interactions energy: -461.764 where: short stacking energy: -198.395 Base-Backbone interact. energy: -0.894 local terms energy: -227.755364 where: bonds (distance) C4'-P energy: -49.003 bonds (distance) P-C4' energy: -47.032 flat angles C4'-P-C4' energy: -62.538 flat angles P-C4'-P energy: -33.247 tors. eta vs tors. theta energy: -35.935 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: 10, replica: 3 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -531.257104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.257104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.257104 (E_RNA) where: Base-Base interactions energy: -317.820 where: short stacking energy: -143.235 Base-Backbone interact. energy: -0.746 local terms energy: -212.690985 where: bonds (distance) C4'-P energy: -54.679 bonds (distance) P-C4' energy: -50.421 flat angles C4'-P-C4' energy: -51.730 flat angles P-C4'-P energy: -31.309 tors. eta vs tors. theta energy: -24.552 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: 10 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1201.302955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.302955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.302955 (E_RNA) where: Base-Base interactions energy: -861.881 where: short stacking energy: -358.743 Base-Backbone interact. energy: 7.179 local terms energy: -346.600888 where: bonds (distance) C4'-P energy: -66.395 bonds (distance) P-C4' energy: -67.029 flat angles C4'-P-C4' energy: -71.011 flat angles P-C4'-P energy: -49.857 tors. eta vs tors. theta energy: -92.309 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: 5 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1127.181923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.181923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.181923 (E_RNA) where: Base-Base interactions energy: -788.766 where: short stacking energy: -334.274 Base-Backbone interact. energy: -0.848 local terms energy: -337.568092 where: bonds (distance) C4'-P energy: -59.454 bonds (distance) P-C4' energy: -70.733 flat angles C4'-P-C4' energy: -75.481 flat angles P-C4'-P energy: -43.976 tors. eta vs tors. theta energy: -87.925 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: 4 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1128.958285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.958285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.958285 (E_RNA) where: Base-Base interactions energy: -780.690 where: short stacking energy: -355.150 Base-Backbone interact. energy: -3.625 local terms energy: -344.643328 where: bonds (distance) C4'-P energy: -57.245 bonds (distance) P-C4' energy: -67.868 flat angles C4'-P-C4' energy: -67.992 flat angles P-C4'-P energy: -47.546 tors. eta vs tors. theta energy: -103.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1110.093887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.093887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.093887 (E_RNA) where: Base-Base interactions energy: -787.814 where: short stacking energy: -311.923 Base-Backbone interact. energy: -1.579 local terms energy: -320.700776 where: bonds (distance) C4'-P energy: -67.266 bonds (distance) P-C4' energy: -58.149 flat angles C4'-P-C4' energy: -69.866 flat angles P-C4'-P energy: -42.869 tors. eta vs tors. theta energy: -82.551 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: 9 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1091.629915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.629915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.629915 (E_RNA) where: Base-Base interactions energy: -787.958 where: short stacking energy: -326.628 Base-Backbone interact. energy: 0.355 local terms energy: -304.026916 where: bonds (distance) C4'-P energy: -48.852 bonds (distance) P-C4' energy: -56.493 flat angles C4'-P-C4' energy: -63.273 flat angles P-C4'-P energy: -52.283 tors. eta vs tors. theta energy: -83.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -931.360666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.360666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.360666 (E_RNA) where: Base-Base interactions energy: -643.363 where: short stacking energy: -270.332 Base-Backbone interact. energy: 0.144 local terms energy: -288.141217 where: bonds (distance) C4'-P energy: -51.636 bonds (distance) P-C4' energy: -59.954 flat angles C4'-P-C4' energy: -64.107 flat angles P-C4'-P energy: -43.134 tors. eta vs tors. theta energy: -69.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -915.416777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.416777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.416777 (E_RNA) where: Base-Base interactions energy: -637.082 where: short stacking energy: -265.926 Base-Backbone interact. energy: -0.831 local terms energy: -277.503841 where: bonds (distance) C4'-P energy: -52.176 bonds (distance) P-C4' energy: -58.449 flat angles C4'-P-C4' energy: -59.005 flat angles P-C4'-P energy: -42.512 tors. eta vs tors. theta energy: -65.361 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: 427 Temperature: 1.250000 Total energy: -853.591959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.591959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.591959 (E_RNA) where: Base-Base interactions energy: -592.192 where: short stacking energy: -270.188 Base-Backbone interact. energy: -0.388 local terms energy: -261.012076 where: bonds (distance) C4'-P energy: -33.900 bonds (distance) P-C4' energy: -54.415 flat angles C4'-P-C4' energy: -57.309 flat angles P-C4'-P energy: -40.210 tors. eta vs tors. theta energy: -75.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -708.025255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.025255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.025255 (E_RNA) where: Base-Base interactions energy: -462.477 where: short stacking energy: -214.408 Base-Backbone interact. energy: -0.571 local terms energy: -244.977434 where: bonds (distance) C4'-P energy: -54.815 bonds (distance) P-C4' energy: -50.325 flat angles C4'-P-C4' energy: -57.445 flat angles P-C4'-P energy: -33.538 tors. eta vs tors. theta energy: -48.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -515.258326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.258326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.258326 (E_RNA) where: Base-Base interactions energy: -322.280 where: short stacking energy: -134.393 Base-Backbone interact. energy: -2.843 local terms energy: -190.135338 where: bonds (distance) C4'-P energy: -51.951 bonds (distance) P-C4' energy: -51.665 flat angles C4'-P-C4' energy: -48.077 flat angles P-C4'-P energy: -28.864 tors. eta vs tors. theta energy: -9.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1201.266234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.266234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.266234 (E_RNA) where: Base-Base interactions energy: -846.102 where: short stacking energy: -359.589 Base-Backbone interact. energy: -2.298 local terms energy: -352.866143 where: bonds (distance) C4'-P energy: -66.947 bonds (distance) P-C4' energy: -68.238 flat angles C4'-P-C4' energy: -74.272 flat angles P-C4'-P energy: -51.615 tors. eta vs tors. theta energy: -91.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1145.043629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.043629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.043629 (E_RNA) where: Base-Base interactions energy: -805.191 where: short stacking energy: -348.316 Base-Backbone interact. energy: 0.085 local terms energy: -339.937209 where: bonds (distance) C4'-P energy: -61.136 bonds (distance) P-C4' energy: -67.620 flat angles C4'-P-C4' energy: -75.202 flat angles P-C4'-P energy: -45.629 tors. eta vs tors. theta energy: -90.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1131.036021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.036021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.036021 (E_RNA) where: Base-Base interactions energy: -793.347 where: short stacking energy: -357.008 Base-Backbone interact. energy: 2.930 local terms energy: -340.619047 where: bonds (distance) C4'-P energy: -62.290 bonds (distance) P-C4' energy: -62.276 flat angles C4'-P-C4' energy: -69.444 flat angles P-C4'-P energy: -44.258 tors. eta vs tors. theta energy: -102.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1090.637717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.637717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.637717 (E_RNA) where: Base-Base interactions energy: -782.142 where: short stacking energy: -322.356 Base-Backbone interact. energy: -1.906 local terms energy: -306.589537 where: bonds (distance) C4'-P energy: -57.745 bonds (distance) P-C4' energy: -61.904 flat angles C4'-P-C4' energy: -67.942 flat angles P-C4'-P energy: -42.599 tors. eta vs tors. theta energy: -76.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1087.347595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.347595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.347595 (E_RNA) where: Base-Base interactions energy: -791.080 where: short stacking energy: -304.335 Base-Backbone interact. energy: -1.822 local terms energy: -294.445234 where: bonds (distance) C4'-P energy: -57.372 bonds (distance) P-C4' energy: -58.057 flat angles C4'-P-C4' energy: -63.889 flat angles P-C4'-P energy: -33.636 tors. eta vs tors. theta energy: -81.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -957.615432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.615432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.615432 (E_RNA) where: Base-Base interactions energy: -683.928 where: short stacking energy: -286.937 Base-Backbone interact. energy: 0.586 local terms energy: -274.273600 where: bonds (distance) C4'-P energy: -54.448 bonds (distance) P-C4' energy: -55.468 flat angles C4'-P-C4' energy: -55.440 flat angles P-C4'-P energy: -35.188 tors. eta vs tors. theta energy: -73.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -914.289984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.289984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.289984 (E_RNA) where: Base-Base interactions energy: -657.017 where: short stacking energy: -251.598 Base-Backbone interact. energy: -0.724 local terms energy: -256.549751 where: bonds (distance) C4'-P energy: -41.717 bonds (distance) P-C4' energy: -56.779 flat angles C4'-P-C4' energy: -66.349 flat angles P-C4'-P energy: -34.521 tors. eta vs tors. theta energy: -57.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -830.830268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.830268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.830268 (E_RNA) where: Base-Base interactions energy: -587.151 where: short stacking energy: -258.093 Base-Backbone interact. energy: -1.803 local terms energy: -241.876047 where: bonds (distance) C4'-P energy: -38.651 bonds (distance) P-C4' energy: -39.688 flat angles C4'-P-C4' energy: -63.138 flat angles P-C4'-P energy: -41.010 tors. eta vs tors. theta energy: -59.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -693.103802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.103802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.103802 (E_RNA) where: Base-Base interactions energy: -468.724 where: short stacking energy: -193.819 Base-Backbone interact. energy: -0.276 local terms energy: -224.103773 where: bonds (distance) C4'-P energy: -56.319 bonds (distance) P-C4' energy: -53.611 flat angles C4'-P-C4' energy: -55.498 flat angles P-C4'-P energy: -30.807 tors. eta vs tors. theta energy: -27.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -546.999472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.999472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.999472 (E_RNA) where: Base-Base interactions energy: -345.981 where: short stacking energy: -171.151 Base-Backbone interact. energy: 0.355 local terms energy: -201.373529 where: bonds (distance) C4'-P energy: -59.090 bonds (distance) P-C4' energy: -49.868 flat angles C4'-P-C4' energy: -42.082 flat angles P-C4'-P energy: -35.864 tors. eta vs tors. theta energy: -14.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1222.804268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.804268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.804268 (E_RNA) where: Base-Base interactions energy: -866.664 where: short stacking energy: -362.569 Base-Backbone interact. energy: -0.898 local terms energy: -355.242517 where: bonds (distance) C4'-P energy: -64.790 bonds (distance) P-C4' energy: -69.952 flat angles C4'-P-C4' energy: -78.953 flat angles P-C4'-P energy: -49.029 tors. eta vs tors. theta energy: -92.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1143.652210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.652210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.652210 (E_RNA) where: Base-Base interactions energy: -794.220 where: short stacking energy: -356.521 Base-Backbone interact. energy: -2.388 local terms energy: -347.043849 where: bonds (distance) C4'-P energy: -67.881 bonds (distance) P-C4' energy: -57.833 flat angles C4'-P-C4' energy: -69.958 flat angles P-C4'-P energy: -54.652 tors. eta vs tors. theta energy: -96.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1124.507761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.507761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.507761 (E_RNA) where: Base-Base interactions energy: -780.672 where: short stacking energy: -332.146 Base-Backbone interact. energy: -0.391 local terms energy: -343.444408 where: bonds (distance) C4'-P energy: -60.768 bonds (distance) P-C4' energy: -65.076 flat angles C4'-P-C4' energy: -71.794 flat angles P-C4'-P energy: -48.275 tors. eta vs tors. theta energy: -97.531 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: 4, replica: 9 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1087.934119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.934119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.934119 (E_RNA) where: Base-Base interactions energy: -790.964 where: short stacking energy: -312.236 Base-Backbone interact. energy: -2.476 local terms energy: -294.494814 where: bonds (distance) C4'-P energy: -43.033 bonds (distance) P-C4' energy: -65.158 flat angles C4'-P-C4' energy: -67.838 flat angles P-C4'-P energy: -46.512 tors. eta vs tors. theta energy: -71.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1057.727322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.727322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.727322 (E_RNA) where: Base-Base interactions energy: -758.627 where: short stacking energy: -295.511 Base-Backbone interact. energy: -0.180 local terms energy: -298.920227 where: bonds (distance) C4'-P energy: -56.160 bonds (distance) P-C4' energy: -60.912 flat angles C4'-P-C4' energy: -69.635 flat angles P-C4'-P energy: -36.414 tors. eta vs tors. theta energy: -75.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -936.053906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.053906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.053906 (E_RNA) where: Base-Base interactions energy: -659.480 where: short stacking energy: -259.715 Base-Backbone interact. energy: 1.860 local terms energy: -278.433936 where: bonds (distance) C4'-P energy: -53.598 bonds (distance) P-C4' energy: -56.696 flat angles C4'-P-C4' energy: -67.135 flat angles P-C4'-P energy: -41.905 tors. eta vs tors. theta energy: -59.100 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: 7, replica: 6 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -876.598341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.598341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.598341 (E_RNA) where: Base-Base interactions energy: -594.677 where: short stacking energy: -253.370 Base-Backbone interact. energy: -1.176 local terms energy: -280.744534 where: bonds (distance) C4'-P energy: -63.939 bonds (distance) P-C4' energy: -58.232 flat angles C4'-P-C4' energy: -55.608 flat angles P-C4'-P energy: -37.968 tors. eta vs tors. theta energy: -64.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -797.600982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.600982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.600982 (E_RNA) where: Base-Base interactions energy: -551.411 where: short stacking energy: -236.979 Base-Backbone interact. energy: 1.065 local terms energy: -247.255030 where: bonds (distance) C4'-P energy: -54.191 bonds (distance) P-C4' energy: -53.738 flat angles C4'-P-C4' energy: -56.475 flat angles P-C4'-P energy: -35.218 tors. eta vs tors. theta energy: -47.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -693.725337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.725337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.725337 (E_RNA) where: Base-Base interactions energy: -449.662 where: short stacking energy: -214.266 Base-Backbone interact. energy: 3.606 local terms energy: -247.668730 where: bonds (distance) C4'-P energy: -53.984 bonds (distance) P-C4' energy: -60.886 flat angles C4'-P-C4' energy: -61.107 flat angles P-C4'-P energy: -42.453 tors. eta vs tors. theta energy: -29.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -528.335626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.335626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.335626 (E_RNA) where: Base-Base interactions energy: -323.808 where: short stacking energy: -158.931 Base-Backbone interact. energy: 1.781 local terms energy: -206.308340 where: bonds (distance) C4'-P energy: -52.151 bonds (distance) P-C4' energy: -53.835 flat angles C4'-P-C4' energy: -60.017 flat angles P-C4'-P energy: -32.723 tors. eta vs tors. theta energy: -7.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1206.860176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.860176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.860176 (E_RNA) where: Base-Base interactions energy: -851.622 where: short stacking energy: -352.206 Base-Backbone interact. energy: -1.007 local terms energy: -354.230820 where: bonds (distance) C4'-P energy: -68.699 bonds (distance) P-C4' energy: -59.418 flat angles C4'-P-C4' energy: -77.448 flat angles P-C4'-P energy: -52.408 tors. eta vs tors. theta energy: -96.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1142.301978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.301978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.301978 (E_RNA) where: Base-Base interactions energy: -809.364 where: short stacking energy: -342.851 Base-Backbone interact. energy: -1.687 local terms energy: -331.251397 where: bonds (distance) C4'-P energy: -65.158 bonds (distance) P-C4' energy: -58.855 flat angles C4'-P-C4' energy: -80.454 flat angles P-C4'-P energy: -41.897 tors. eta vs tors. theta energy: -84.887 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: 430 Temperature: 1.000000 Total energy: -1135.056511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.056511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.056511 (E_RNA) where: Base-Base interactions energy: -802.106 where: short stacking energy: -355.735 Base-Backbone interact. energy: -2.525 local terms energy: -330.425827 where: bonds (distance) C4'-P energy: -65.009 bonds (distance) P-C4' energy: -54.989 flat angles C4'-P-C4' energy: -68.798 flat angles P-C4'-P energy: -42.568 tors. eta vs tors. theta energy: -99.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1090.450439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.450439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.450439 (E_RNA) where: Base-Base interactions energy: -783.248 where: short stacking energy: -315.329 Base-Backbone interact. energy: -0.769 local terms energy: -306.432950 where: bonds (distance) C4'-P energy: -63.257 bonds (distance) P-C4' energy: -60.155 flat angles C4'-P-C4' energy: -62.171 flat angles P-C4'-P energy: -40.842 tors. eta vs tors. theta energy: -80.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1013.132523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.132523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.132523 (E_RNA) where: Base-Base interactions energy: -704.017 where: short stacking energy: -265.921 Base-Backbone interact. energy: -2.068 local terms energy: -307.047566 where: bonds (distance) C4'-P energy: -52.226 bonds (distance) P-C4' energy: -54.054 flat angles C4'-P-C4' energy: -75.057 flat angles P-C4'-P energy: -52.906 tors. eta vs tors. theta energy: -72.804 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: 8 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -944.708662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.708662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.708662 (E_RNA) where: Base-Base interactions energy: -667.305 where: short stacking energy: -272.397 Base-Backbone interact. energy: -2.280 local terms energy: -275.123140 where: bonds (distance) C4'-P energy: -43.200 bonds (distance) P-C4' energy: -63.264 flat angles C4'-P-C4' energy: -64.297 flat angles P-C4'-P energy: -39.383 tors. eta vs tors. theta energy: -64.978 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: 6 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -889.028922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.028922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.028922 (E_RNA) where: Base-Base interactions energy: -616.471 where: short stacking energy: -265.495 Base-Backbone interact. energy: -1.484 local terms energy: -271.073454 where: bonds (distance) C4'-P energy: -57.867 bonds (distance) P-C4' energy: -57.278 flat angles C4'-P-C4' energy: -56.862 flat angles P-C4'-P energy: -40.954 tors. eta vs tors. theta energy: -58.112 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: 7 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -827.181102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.181102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.181102 (E_RNA) where: Base-Base interactions energy: -569.139 where: short stacking energy: -245.937 Base-Backbone interact. energy: 4.787 local terms energy: -262.829357 where: bonds (distance) C4'-P energy: -51.026 bonds (distance) P-C4' energy: -63.831 flat angles C4'-P-C4' energy: -62.470 flat angles P-C4'-P energy: -27.316 tors. eta vs tors. theta energy: -58.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -727.827384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.827384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.827384 (E_RNA) where: Base-Base interactions energy: -472.295 where: short stacking energy: -222.018 Base-Backbone interact. energy: -0.908 local terms energy: -254.623879 where: bonds (distance) C4'-P energy: -55.653 bonds (distance) P-C4' energy: -52.344 flat angles C4'-P-C4' energy: -62.982 flat angles P-C4'-P energy: -26.297 tors. eta vs tors. theta energy: -57.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -561.899984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.899984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.899984 (E_RNA) where: Base-Base interactions energy: -357.142 where: short stacking energy: -180.984 Base-Backbone interact. energy: -0.188 local terms energy: -204.570039 where: bonds (distance) C4'-P energy: -43.626 bonds (distance) P-C4' energy: -46.615 flat angles C4'-P-C4' energy: -44.031 flat angles P-C4'-P energy: -32.074 tors. eta vs tors. theta energy: -38.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1199.401154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.401154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.401154 (E_RNA) where: Base-Base interactions energy: -857.324 where: short stacking energy: -358.659 Base-Backbone interact. energy: 0.981 local terms energy: -343.058038 where: bonds (distance) C4'-P energy: -60.234 bonds (distance) P-C4' energy: -62.195 flat angles C4'-P-C4' energy: -72.496 flat angles P-C4'-P energy: -52.201 tors. eta vs tors. theta energy: -95.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1155.307241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.307241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.307241 (E_RNA) where: Base-Base interactions energy: -807.495 where: short stacking energy: -363.373 Base-Backbone interact. energy: -0.653 local terms energy: -347.158531 where: bonds (distance) C4'-P energy: -51.499 bonds (distance) P-C4' energy: -59.725 flat angles C4'-P-C4' energy: -72.208 flat angles P-C4'-P energy: -58.714 tors. eta vs tors. theta energy: -105.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1093.882342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.882342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.882342 (E_RNA) where: Base-Base interactions energy: -772.714 where: short stacking energy: -350.472 Base-Backbone interact. energy: -1.596 local terms energy: -319.572809 where: bonds (distance) C4'-P energy: -62.061 bonds (distance) P-C4' energy: -57.434 flat angles C4'-P-C4' energy: -65.005 flat angles P-C4'-P energy: -41.428 tors. eta vs tors. theta energy: -93.646 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: 4, replica: 9 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1089.577095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.577095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.577095 (E_RNA) where: Base-Base interactions energy: -782.998 where: short stacking energy: -306.163 Base-Backbone interact. energy: -0.583 local terms energy: -305.995537 where: bonds (distance) C4'-P energy: -62.598 bonds (distance) P-C4' energy: -55.830 flat angles C4'-P-C4' energy: -62.549 flat angles P-C4'-P energy: -52.209 tors. eta vs tors. theta energy: -72.809 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: 431 Temperature: 1.100000 Total energy: -1050.550811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.550811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.550811 (E_RNA) where: Base-Base interactions energy: -743.616 where: short stacking energy: -275.290 Base-Backbone interact. energy: -1.766 local terms energy: -305.169496 where: bonds (distance) C4'-P energy: -65.956 bonds (distance) P-C4' energy: -64.383 flat angles C4'-P-C4' energy: -60.666 flat angles P-C4'-P energy: -54.116 tors. eta vs tors. theta energy: -60.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -907.676248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.676248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.676248 (E_RNA) where: Base-Base interactions energy: -632.349 where: short stacking energy: -269.617 Base-Backbone interact. energy: 0.070 local terms energy: -275.397311 where: bonds (distance) C4'-P energy: -56.841 bonds (distance) P-C4' energy: -53.035 flat angles C4'-P-C4' energy: -62.354 flat angles P-C4'-P energy: -32.873 tors. eta vs tors. theta energy: -70.295 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: 8 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -878.375127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.375127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.375127 (E_RNA) where: Base-Base interactions energy: -585.408 where: short stacking energy: -249.125 Base-Backbone interact. energy: -1.293 local terms energy: -291.673622 where: bonds (distance) C4'-P energy: -53.497 bonds (distance) P-C4' energy: -59.970 flat angles C4'-P-C4' energy: -67.675 flat angles P-C4'-P energy: -46.577 tors. eta vs tors. theta energy: -63.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -843.445260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.445260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.445260 (E_RNA) where: Base-Base interactions energy: -576.700 where: short stacking energy: -245.806 Base-Backbone interact. energy: 0.398 local terms energy: -267.143728 where: bonds (distance) C4'-P energy: -49.073 bonds (distance) P-C4' energy: -58.816 flat angles C4'-P-C4' energy: -57.092 flat angles P-C4'-P energy: -40.764 tors. eta vs tors. theta energy: -61.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -731.383206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.383206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.383206 (E_RNA) where: Base-Base interactions energy: -495.054 where: short stacking energy: -215.435 Base-Backbone interact. energy: -1.853 local terms energy: -234.475510 where: bonds (distance) C4'-P energy: -44.760 bonds (distance) P-C4' energy: -49.303 flat angles C4'-P-C4' energy: -61.008 flat angles P-C4'-P energy: -36.128 tors. eta vs tors. theta energy: -43.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -530.400682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.400682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.400682 (E_RNA) where: Base-Base interactions energy: -315.707 where: short stacking energy: -157.484 Base-Backbone interact. energy: -0.771 local terms energy: -213.922770 where: bonds (distance) C4'-P energy: -44.801 bonds (distance) P-C4' energy: -55.230 flat angles C4'-P-C4' energy: -52.945 flat angles P-C4'-P energy: -34.715 tors. eta vs tors. theta energy: -26.232 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: 10 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1206.614773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.614773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.614773 (E_RNA) where: Base-Base interactions energy: -853.897 where: short stacking energy: -358.016 Base-Backbone interact. energy: -1.182 local terms energy: -351.535673 where: bonds (distance) C4'-P energy: -55.443 bonds (distance) P-C4' energy: -69.605 flat angles C4'-P-C4' energy: -77.578 flat angles P-C4'-P energy: -53.755 tors. eta vs tors. theta energy: -95.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1164.692215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.692215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.692215 (E_RNA) where: Base-Base interactions energy: -801.561 where: short stacking energy: -354.528 Base-Backbone interact. energy: -3.285 local terms energy: -359.846370 where: bonds (distance) C4'-P energy: -58.897 bonds (distance) P-C4' energy: -72.627 flat angles C4'-P-C4' energy: -72.203 flat angles P-C4'-P energy: -52.205 tors. eta vs tors. theta energy: -103.915 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: 432 Temperature: 1.000000 Total energy: -1118.280103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.280103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.280103 (E_RNA) where: Base-Base interactions energy: -786.398 where: short stacking energy: -335.127 Base-Backbone interact. energy: 0.238 local terms energy: -332.120014 where: bonds (distance) C4'-P energy: -62.068 bonds (distance) P-C4' energy: -61.890 flat angles C4'-P-C4' energy: -73.055 flat angles P-C4'-P energy: -43.889 tors. eta vs tors. theta energy: -91.218 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: 9 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1102.094151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.094151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.094151 (E_RNA) where: Base-Base interactions energy: -790.719 where: short stacking energy: -325.804 Base-Backbone interact. energy: -3.035 local terms energy: -308.340591 where: bonds (distance) C4'-P energy: -55.744 bonds (distance) P-C4' energy: -59.760 flat angles C4'-P-C4' energy: -68.405 flat angles P-C4'-P energy: -41.807 tors. eta vs tors. theta energy: -82.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1029.078066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.078066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.078066 (E_RNA) where: Base-Base interactions energy: -724.730 where: short stacking energy: -280.528 Base-Backbone interact. energy: -2.693 local terms energy: -301.655962 where: bonds (distance) C4'-P energy: -55.827 bonds (distance) P-C4' energy: -60.137 flat angles C4'-P-C4' energy: -66.658 flat angles P-C4'-P energy: -41.035 tors. eta vs tors. theta energy: -78.000 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: 6 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -943.343468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.343468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.343468 (E_RNA) where: Base-Base interactions energy: -653.469 where: short stacking energy: -289.043 Base-Backbone interact. energy: -1.420 local terms energy: -288.454307 where: bonds (distance) C4'-P energy: -51.720 bonds (distance) P-C4' energy: -58.244 flat angles C4'-P-C4' energy: -63.103 flat angles P-C4'-P energy: -43.151 tors. eta vs tors. theta energy: -72.236 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: 7, replica: 8 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -924.018497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.018497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.018497 (E_RNA) where: Base-Base interactions energy: -634.528 where: short stacking energy: -257.023 Base-Backbone interact. energy: -1.550 local terms energy: -287.940518 where: bonds (distance) C4'-P energy: -57.201 bonds (distance) P-C4' energy: -61.812 flat angles C4'-P-C4' energy: -57.927 flat angles P-C4'-P energy: -44.034 tors. eta vs tors. theta energy: -66.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -825.610995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.610995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.610995 (E_RNA) where: Base-Base interactions energy: -563.048 where: short stacking energy: -239.691 Base-Backbone interact. energy: -0.409 local terms energy: -262.153659 where: bonds (distance) C4'-P energy: -46.426 bonds (distance) P-C4' energy: -58.892 flat angles C4'-P-C4' energy: -68.999 flat angles P-C4'-P energy: -31.047 tors. eta vs tors. theta energy: -56.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -705.889266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.889266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.889266 (E_RNA) where: Base-Base interactions energy: -461.905 where: short stacking energy: -205.745 Base-Backbone interact. energy: -2.074 local terms energy: -241.910789 where: bonds (distance) C4'-P energy: -61.761 bonds (distance) P-C4' energy: -62.704 flat angles C4'-P-C4' energy: -50.231 flat angles P-C4'-P energy: -25.024 tors. eta vs tors. theta energy: -42.191 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: 3 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -553.000265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.000265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.000265 (E_RNA) where: Base-Base interactions energy: -371.030 where: short stacking energy: -164.852 Base-Backbone interact. energy: -0.097 local terms energy: -181.873154 where: bonds (distance) C4'-P energy: -45.789 bonds (distance) P-C4' energy: -39.850 flat angles C4'-P-C4' energy: -45.481 flat angles P-C4'-P energy: -27.568 tors. eta vs tors. theta energy: -23.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1195.796973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.796973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.796973 (E_RNA) where: Base-Base interactions energy: -862.384 where: short stacking energy: -366.181 Base-Backbone interact. energy: 1.724 local terms energy: -335.137758 where: bonds (distance) C4'-P energy: -62.926 bonds (distance) P-C4' energy: -64.813 flat angles C4'-P-C4' energy: -68.932 flat angles P-C4'-P energy: -44.031 tors. eta vs tors. theta energy: -94.435 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: 4 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1156.679383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.679383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.679383 (E_RNA) where: Base-Base interactions energy: -800.137 where: short stacking energy: -352.818 Base-Backbone interact. energy: -1.638 local terms energy: -354.904402 where: bonds (distance) C4'-P energy: -59.067 bonds (distance) P-C4' energy: -71.222 flat angles C4'-P-C4' energy: -63.825 flat angles P-C4'-P energy: -51.576 tors. eta vs tors. theta energy: -109.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1107.295955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.295955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.295955 (E_RNA) where: Base-Base interactions energy: -784.374 where: short stacking energy: -329.933 Base-Backbone interact. energy: 0.106 local terms energy: -323.028426 where: bonds (distance) C4'-P energy: -54.451 bonds (distance) P-C4' energy: -71.355 flat angles C4'-P-C4' energy: -63.108 flat angles P-C4'-P energy: -42.845 tors. eta vs tors. theta energy: -91.269 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: 1 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1072.854094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.854094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.854094 (E_RNA) where: Base-Base interactions energy: -750.509 where: short stacking energy: -302.425 Base-Backbone interact. energy: -2.520 local terms energy: -319.825223 where: bonds (distance) C4'-P energy: -68.170 bonds (distance) P-C4' energy: -60.913 flat angles C4'-P-C4' energy: -70.347 flat angles P-C4'-P energy: -44.135 tors. eta vs tors. theta energy: -76.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1073.898367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.898367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.898367 (E_RNA) where: Base-Base interactions energy: -765.100 where: short stacking energy: -310.665 Base-Backbone interact. energy: -1.092 local terms energy: -307.706578 where: bonds (distance) C4'-P energy: -57.821 bonds (distance) P-C4' energy: -61.294 flat angles C4'-P-C4' energy: -73.935 flat angles P-C4'-P energy: -34.995 tors. eta vs tors. theta energy: -79.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -938.357161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.357161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.357161 (E_RNA) where: Base-Base interactions energy: -654.116 where: short stacking energy: -256.558 Base-Backbone interact. energy: -2.895 local terms energy: -281.345804 where: bonds (distance) C4'-P energy: -62.962 bonds (distance) P-C4' energy: -53.920 flat angles C4'-P-C4' energy: -65.506 flat angles P-C4'-P energy: -33.153 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: 7, replica: 6 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -903.757797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.757797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.757797 (E_RNA) where: Base-Base interactions energy: -625.850 where: short stacking energy: -272.074 Base-Backbone interact. energy: 2.372 local terms energy: -280.280688 where: bonds (distance) C4'-P energy: -46.356 bonds (distance) P-C4' energy: -60.935 flat angles C4'-P-C4' energy: -61.686 flat angles P-C4'-P energy: -46.496 tors. eta vs tors. theta energy: -64.807 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: 7 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -816.953992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.953992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.953992 (E_RNA) where: Base-Base interactions energy: -548.672 where: short stacking energy: -239.080 Base-Backbone interact. energy: -0.784 local terms energy: -267.498348 where: bonds (distance) C4'-P energy: -59.335 bonds (distance) P-C4' energy: -59.009 flat angles C4'-P-C4' energy: -54.713 flat angles P-C4'-P energy: -40.885 tors. eta vs tors. theta energy: -53.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -677.925756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.925756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.925756 (E_RNA) where: Base-Base interactions energy: -461.251 where: short stacking energy: -193.030 Base-Backbone interact. energy: -2.168 local terms energy: -214.506928 where: bonds (distance) C4'-P energy: -50.262 bonds (distance) P-C4' energy: -53.904 flat angles C4'-P-C4' energy: -44.341 flat angles P-C4'-P energy: -36.496 tors. eta vs tors. theta energy: -29.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -556.180475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.180475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.180475 (E_RNA) where: Base-Base interactions energy: -339.679 where: short stacking energy: -156.692 Base-Backbone interact. energy: 1.299 local terms energy: -217.799934 where: bonds (distance) C4'-P energy: -56.706 bonds (distance) P-C4' energy: -50.878 flat angles C4'-P-C4' energy: -40.353 flat angles P-C4'-P energy: -46.921 tors. eta vs tors. theta energy: -22.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1208.127916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.127916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.127916 (E_RNA) where: Base-Base interactions energy: -872.585 where: short stacking energy: -371.495 Base-Backbone interact. energy: 2.293 local terms energy: -337.835095 where: bonds (distance) C4'-P energy: -61.741 bonds (distance) P-C4' energy: -67.199 flat angles C4'-P-C4' energy: -69.648 flat angles P-C4'-P energy: -47.548 tors. eta vs tors. theta energy: -91.700 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: 434 Temperature: 0.950000 Total energy: -1152.224814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.224814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.224814 (E_RNA) where: Base-Base interactions energy: -814.473 where: short stacking energy: -355.424 Base-Backbone interact. energy: -1.457 local terms energy: -336.294073 where: bonds (distance) C4'-P energy: -57.932 bonds (distance) P-C4' energy: -60.062 flat angles C4'-P-C4' energy: -72.999 flat angles P-C4'-P energy: -45.875 tors. eta vs tors. theta energy: -99.427 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: 3, replica: 1 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1088.364727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.364727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.364727 (E_RNA) where: Base-Base interactions energy: -767.405 where: short stacking energy: -297.932 Base-Backbone interact. energy: -1.823 local terms energy: -319.136670 where: bonds (distance) C4'-P energy: -52.053 bonds (distance) P-C4' energy: -69.274 flat angles C4'-P-C4' energy: -70.658 flat angles P-C4'-P energy: -47.473 tors. eta vs tors. theta energy: -79.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1067.224672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.224672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.224672 (E_RNA) where: Base-Base interactions energy: -741.987 where: short stacking energy: -324.686 Base-Backbone interact. energy: -1.564 local terms energy: -323.673775 where: bonds (distance) C4'-P energy: -61.196 bonds (distance) P-C4' energy: -63.151 flat angles C4'-P-C4' energy: -66.441 flat angles P-C4'-P energy: -42.240 tors. eta vs tors. theta energy: -90.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1088.394394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.394394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.394394 (E_RNA) where: Base-Base interactions energy: -787.683 where: short stacking energy: -307.175 Base-Backbone interact. energy: -0.600 local terms energy: -300.111578 where: bonds (distance) C4'-P energy: -47.518 bonds (distance) P-C4' energy: -71.392 flat angles C4'-P-C4' energy: -62.776 flat angles P-C4'-P energy: -39.717 tors. eta vs tors. theta energy: -78.708 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: 8 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -973.517093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.517093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.517093 (E_RNA) where: Base-Base interactions energy: -699.756 where: short stacking energy: -275.970 Base-Backbone interact. energy: -0.328 local terms energy: -273.432973 where: bonds (distance) C4'-P energy: -50.044 bonds (distance) P-C4' energy: -58.994 flat angles C4'-P-C4' energy: -64.179 flat angles P-C4'-P energy: -37.222 tors. eta vs tors. theta energy: -62.993 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: 6 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -923.833671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.833671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.833671 (E_RNA) where: Base-Base interactions energy: -658.466 where: short stacking energy: -282.046 Base-Backbone interact. energy: 1.604 local terms energy: -266.972209 where: bonds (distance) C4'-P energy: -50.972 bonds (distance) P-C4' energy: -47.827 flat angles C4'-P-C4' energy: -62.889 flat angles P-C4'-P energy: -37.927 tors. eta vs tors. theta energy: -67.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -823.324065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.324065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.324065 (E_RNA) where: Base-Base interactions energy: -554.699 where: short stacking energy: -247.348 Base-Backbone interact. energy: -1.340 local terms energy: -267.284266 where: bonds (distance) C4'-P energy: -47.531 bonds (distance) P-C4' energy: -60.445 flat angles C4'-P-C4' energy: -63.447 flat angles P-C4'-P energy: -32.031 tors. eta vs tors. theta energy: -63.830 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: 9, replica: 2 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -700.168302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.168302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.168302 (E_RNA) where: Base-Base interactions energy: -480.028 where: short stacking energy: -215.031 Base-Backbone interact. energy: -0.961 local terms energy: -219.179623 where: bonds (distance) C4'-P energy: -51.195 bonds (distance) P-C4' energy: -53.734 flat angles C4'-P-C4' energy: -53.608 flat angles P-C4'-P energy: -21.893 tors. eta vs tors. theta energy: -38.750 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: 3 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -534.732647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.732647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.732647 (E_RNA) where: Base-Base interactions energy: -329.156 where: short stacking energy: -147.483 Base-Backbone interact. energy: -1.129 local terms energy: -204.447405 where: bonds (distance) C4'-P energy: -49.815 bonds (distance) P-C4' energy: -50.215 flat angles C4'-P-C4' energy: -49.453 flat angles P-C4'-P energy: -34.556 tors. eta vs tors. theta energy: -20.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1190.599056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.599056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.599056 (E_RNA) where: Base-Base interactions energy: -860.417 where: short stacking energy: -362.304 Base-Backbone interact. energy: -1.547 local terms energy: -328.634532 where: bonds (distance) C4'-P energy: -54.062 bonds (distance) P-C4' energy: -62.340 flat angles C4'-P-C4' energy: -66.882 flat angles P-C4'-P energy: -52.569 tors. eta vs tors. theta energy: -92.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1143.674343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.674343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.674343 (E_RNA) where: Base-Base interactions energy: -794.232 where: short stacking energy: -345.202 Base-Backbone interact. energy: -0.422 local terms energy: -349.020083 where: bonds (distance) C4'-P energy: -59.586 bonds (distance) P-C4' energy: -63.336 flat angles C4'-P-C4' energy: -83.438 flat angles P-C4'-P energy: -49.077 tors. eta vs tors. theta energy: -93.584 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: 1 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1097.989793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.989793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.989793 (E_RNA) where: Base-Base interactions energy: -775.900 where: short stacking energy: -315.033 Base-Backbone interact. energy: -3.096 local terms energy: -318.994327 where: bonds (distance) C4'-P energy: -53.787 bonds (distance) P-C4' energy: -63.658 flat angles C4'-P-C4' energy: -74.537 flat angles P-C4'-P energy: -48.628 tors. eta vs tors. theta energy: -78.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1066.978150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.978150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.978150 (E_RNA) where: Base-Base interactions energy: -739.101 where: short stacking energy: -332.447 Base-Backbone interact. energy: -0.905 local terms energy: -326.971676 where: bonds (distance) C4'-P energy: -52.568 bonds (distance) P-C4' energy: -63.021 flat angles C4'-P-C4' energy: -68.842 flat angles P-C4'-P energy: -48.910 tors. eta vs tors. theta energy: -93.631 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: 9 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1021.849964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.849964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.849964 (E_RNA) where: Base-Base interactions energy: -715.601 where: short stacking energy: -302.113 Base-Backbone interact. energy: -2.353 local terms energy: -303.895335 where: bonds (distance) C4'-P energy: -66.527 bonds (distance) P-C4' energy: -55.891 flat angles C4'-P-C4' energy: -66.979 flat angles P-C4'-P energy: -40.539 tors. eta vs tors. theta energy: -73.959 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: 8 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -962.352734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.352734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.352734 (E_RNA) where: Base-Base interactions energy: -673.248 where: short stacking energy: -277.964 Base-Backbone interact. energy: -0.942 local terms energy: -288.162322 where: bonds (distance) C4'-P energy: -61.099 bonds (distance) P-C4' energy: -50.704 flat angles C4'-P-C4' energy: -67.388 flat angles P-C4'-P energy: -39.464 tors. eta vs tors. theta energy: -69.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -937.940899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.940899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.940899 (E_RNA) where: Base-Base interactions energy: -647.226 where: short stacking energy: -287.038 Base-Backbone interact. energy: -0.068 local terms energy: -290.647138 where: bonds (distance) C4'-P energy: -62.618 bonds (distance) P-C4' energy: -52.607 flat angles C4'-P-C4' energy: -68.665 flat angles P-C4'-P energy: -41.657 tors. eta vs tors. theta energy: -65.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -805.413873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.413873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.413873 (E_RNA) where: Base-Base interactions energy: -541.910 where: short stacking energy: -236.277 Base-Backbone interact. energy: 0.545 local terms energy: -264.049269 where: bonds (distance) C4'-P energy: -52.598 bonds (distance) P-C4' energy: -60.557 flat angles C4'-P-C4' energy: -51.710 flat angles P-C4'-P energy: -38.275 tors. eta vs tors. theta energy: -60.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -688.866395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.866395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.866395 (E_RNA) where: Base-Base interactions energy: -443.425 where: short stacking energy: -196.263 Base-Backbone interact. energy: 5.700 local terms energy: -251.140658 where: bonds (distance) C4'-P energy: -57.684 bonds (distance) P-C4' energy: -60.197 flat angles C4'-P-C4' energy: -50.310 flat angles P-C4'-P energy: -34.880 tors. eta vs tors. theta energy: -48.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -544.137750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.137750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.137750 (E_RNA) where: Base-Base interactions energy: -337.233 where: short stacking energy: -163.128 Base-Backbone interact. energy: -0.529 local terms energy: -206.375886 where: bonds (distance) C4'-P energy: -43.874 bonds (distance) P-C4' energy: -52.640 flat angles C4'-P-C4' energy: -44.881 flat angles P-C4'-P energy: -33.665 tors. eta vs tors. theta energy: -31.316 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: 10 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1193.783462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.783462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.783462 (E_RNA) where: Base-Base interactions energy: -854.370 where: short stacking energy: -357.548 Base-Backbone interact. energy: -3.021 local terms energy: -336.392745 where: bonds (distance) C4'-P energy: -62.252 bonds (distance) P-C4' energy: -64.269 flat angles C4'-P-C4' energy: -72.360 flat angles P-C4'-P energy: -44.134 tors. eta vs tors. theta energy: -93.378 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: 2, replica: 4 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1149.704706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.704706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.704706 (E_RNA) where: Base-Base interactions energy: -806.814 where: short stacking energy: -348.384 Base-Backbone interact. energy: -2.223 local terms energy: -340.668175 where: bonds (distance) C4'-P energy: -56.704 bonds (distance) P-C4' energy: -62.848 flat angles C4'-P-C4' energy: -69.026 flat angles P-C4'-P energy: -51.627 tors. eta vs tors. theta energy: -100.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1093.676597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.676597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.676597 (E_RNA) where: Base-Base interactions energy: -768.816 where: short stacking energy: -320.677 Base-Backbone interact. energy: -1.168 local terms energy: -323.692729 where: bonds (distance) C4'-P energy: -66.929 bonds (distance) P-C4' energy: -66.628 flat angles C4'-P-C4' energy: -65.140 flat angles P-C4'-P energy: -42.972 tors. eta vs tors. theta energy: -82.024 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: 1 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1079.951946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.951946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.951946 (E_RNA) where: Base-Base interactions energy: -788.401 where: short stacking energy: -316.741 Base-Backbone interact. energy: -2.075 local terms energy: -289.475048 where: bonds (distance) C4'-P energy: -49.386 bonds (distance) P-C4' energy: -56.608 flat angles C4'-P-C4' energy: -63.719 flat angles P-C4'-P energy: -33.013 tors. eta vs tors. theta energy: -86.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1056.339231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.339231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.339231 (E_RNA) where: Base-Base interactions energy: -764.198 where: short stacking energy: -300.138 Base-Backbone interact. energy: -2.015 local terms energy: -290.126099 where: bonds (distance) C4'-P energy: -56.057 bonds (distance) P-C4' energy: -59.590 flat angles C4'-P-C4' energy: -65.023 flat angles P-C4'-P energy: -34.332 tors. eta vs tors. theta energy: -75.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -944.674121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.674121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.674121 (E_RNA) where: Base-Base interactions energy: -647.179 where: short stacking energy: -263.835 Base-Backbone interact. energy: -0.811 local terms energy: -296.683475 where: bonds (distance) C4'-P energy: -57.888 bonds (distance) P-C4' energy: -68.314 flat angles C4'-P-C4' energy: -61.099 flat angles P-C4'-P energy: -32.541 tors. eta vs tors. theta energy: -76.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -932.960211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.960211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.960211 (E_RNA) where: Base-Base interactions energy: -669.907 where: short stacking energy: -277.964 Base-Backbone interact. energy: 4.340 local terms energy: -267.393269 where: bonds (distance) C4'-P energy: -45.157 bonds (distance) P-C4' energy: -65.075 flat angles C4'-P-C4' energy: -53.266 flat angles P-C4'-P energy: -34.305 tors. eta vs tors. theta energy: -69.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -806.716091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.716091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.716091 (E_RNA) where: Base-Base interactions energy: -538.444 where: short stacking energy: -237.587 Base-Backbone interact. energy: -0.792 local terms energy: -267.480264 where: bonds (distance) C4'-P energy: -63.106 bonds (distance) P-C4' energy: -55.835 flat angles C4'-P-C4' energy: -56.072 flat angles P-C4'-P energy: -36.350 tors. eta vs tors. theta energy: -56.117 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: 2 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -713.532906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.532906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.532906 (E_RNA) where: Base-Base interactions energy: -462.598 where: short stacking energy: -190.006 Base-Backbone interact. energy: -0.850 local terms energy: -250.085171 where: bonds (distance) C4'-P energy: -56.625 bonds (distance) P-C4' energy: -61.257 flat angles C4'-P-C4' energy: -50.148 flat angles P-C4'-P energy: -37.579 tors. eta vs tors. theta energy: -44.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -514.254964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.254964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.254964 (E_RNA) where: Base-Base interactions energy: -317.273 where: short stacking energy: -149.215 Base-Backbone interact. energy: -0.665 local terms energy: -196.316824 where: bonds (distance) C4'-P energy: -48.011 bonds (distance) P-C4' energy: -50.958 flat angles C4'-P-C4' energy: -44.687 flat angles P-C4'-P energy: -38.417 tors. eta vs tors. theta energy: -14.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1197.592787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.592787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.592787 (E_RNA) where: Base-Base interactions energy: -857.783 where: short stacking energy: -365.761 Base-Backbone interact. energy: -3.144 local terms energy: -336.666402 where: bonds (distance) C4'-P energy: -63.994 bonds (distance) P-C4' energy: -66.258 flat angles C4'-P-C4' energy: -65.400 flat angles P-C4'-P energy: -46.327 tors. eta vs tors. theta energy: -94.688 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: 4 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1161.120297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.120297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.120297 (E_RNA) where: Base-Base interactions energy: -806.247 where: short stacking energy: -363.113 Base-Backbone interact. energy: -0.298 local terms energy: -354.575885 where: bonds (distance) C4'-P energy: -62.310 bonds (distance) P-C4' energy: -67.912 flat angles C4'-P-C4' energy: -70.677 flat angles P-C4'-P energy: -51.481 tors. eta vs tors. theta energy: -102.196 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: 437 Temperature: 1.000000 Total energy: -1095.366845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.366845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.366845 (E_RNA) where: Base-Base interactions energy: -767.140 where: short stacking energy: -333.431 Base-Backbone interact. energy: -0.120 local terms energy: -328.107285 where: bonds (distance) C4'-P energy: -66.250 bonds (distance) P-C4' energy: -65.301 flat angles C4'-P-C4' energy: -69.597 flat angles P-C4'-P energy: -46.092 tors. eta vs tors. theta energy: -80.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1077.472102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.472102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.472102 (E_RNA) where: Base-Base interactions energy: -778.442 where: short stacking energy: -323.184 Base-Backbone interact. energy: -1.025 local terms energy: -298.006033 where: bonds (distance) C4'-P energy: -56.454 bonds (distance) P-C4' energy: -59.729 flat angles C4'-P-C4' energy: -64.655 flat angles P-C4'-P energy: -41.821 tors. eta vs tors. theta energy: -75.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1055.618832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.618832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.618832 (E_RNA) where: Base-Base interactions energy: -763.354 where: short stacking energy: -299.925 Base-Backbone interact. energy: -0.061 local terms energy: -292.203315 where: bonds (distance) C4'-P energy: -61.584 bonds (distance) P-C4' energy: -43.420 flat angles C4'-P-C4' energy: -66.479 flat angles P-C4'-P energy: -38.105 tors. eta vs tors. theta energy: -82.616 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: 6 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -953.628095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.628095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.628095 (E_RNA) where: Base-Base interactions energy: -671.203 where: short stacking energy: -294.998 Base-Backbone interact. energy: 2.779 local terms energy: -285.203846 where: bonds (distance) C4'-P energy: -50.623 bonds (distance) P-C4' energy: -59.335 flat angles C4'-P-C4' energy: -58.505 flat angles P-C4'-P energy: -33.237 tors. eta vs tors. theta energy: -83.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -915.288886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.288886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.288886 (E_RNA) where: Base-Base interactions energy: -653.914 where: short stacking energy: -272.413 Base-Backbone interact. energy: 0.735 local terms energy: -262.109842 where: bonds (distance) C4'-P energy: -56.928 bonds (distance) P-C4' energy: -50.098 flat angles C4'-P-C4' energy: -59.285 flat angles P-C4'-P energy: -34.478 tors. eta vs tors. theta energy: -61.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -776.578462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.578462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.578462 (E_RNA) where: Base-Base interactions energy: -539.938 where: short stacking energy: -242.302 Base-Backbone interact. energy: -1.953 local terms energy: -234.687239 where: bonds (distance) C4'-P energy: -51.081 bonds (distance) P-C4' energy: -60.703 flat angles C4'-P-C4' energy: -44.613 flat angles P-C4'-P energy: -27.039 tors. eta vs tors. theta energy: -51.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -705.895830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.895830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.895830 (E_RNA) where: Base-Base interactions energy: -481.894 where: short stacking energy: -218.204 Base-Backbone interact. energy: -0.912 local terms energy: -223.089837 where: bonds (distance) C4'-P energy: -41.042 bonds (distance) P-C4' energy: -54.217 flat angles C4'-P-C4' energy: -60.500 flat angles P-C4'-P energy: -30.518 tors. eta vs tors. theta energy: -36.813 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: 3 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -541.505724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.505724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.505724 (E_RNA) where: Base-Base interactions energy: -339.380 where: short stacking energy: -157.092 Base-Backbone interact. energy: 0.264 local terms energy: -202.390115 where: bonds (distance) C4'-P energy: -55.569 bonds (distance) P-C4' energy: -54.490 flat angles C4'-P-C4' energy: -48.952 flat angles P-C4'-P energy: -27.050 tors. eta vs tors. theta energy: -16.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1224.488790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.488790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.488790 (E_RNA) where: Base-Base interactions energy: -893.248 where: short stacking energy: -360.725 Base-Backbone interact. energy: -0.876 local terms energy: -330.365028 where: bonds (distance) C4'-P energy: -52.135 bonds (distance) P-C4' energy: -63.643 flat angles C4'-P-C4' energy: -70.956 flat angles P-C4'-P energy: -51.928 tors. eta vs tors. theta energy: -91.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1169.512450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.512450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.512450 (E_RNA) where: Base-Base interactions energy: -815.747 where: short stacking energy: -375.610 Base-Backbone interact. energy: -0.683 local terms energy: -353.081771 where: bonds (distance) C4'-P energy: -64.047 bonds (distance) P-C4' energy: -59.174 flat angles C4'-P-C4' energy: -76.709 flat angles P-C4'-P energy: -47.356 tors. eta vs tors. theta energy: -105.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1104.757804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.757804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.757804 (E_RNA) where: Base-Base interactions energy: -790.128 where: short stacking energy: -326.742 Base-Backbone interact. energy: 0.026 local terms energy: -314.656339 where: bonds (distance) C4'-P energy: -57.632 bonds (distance) P-C4' energy: -58.684 flat angles C4'-P-C4' energy: -66.975 flat angles P-C4'-P energy: -40.691 tors. eta vs tors. theta energy: -90.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1081.300347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.300347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.300347 (E_RNA) where: Base-Base interactions energy: -755.758 where: short stacking energy: -324.783 Base-Backbone interact. energy: -1.493 local terms energy: -324.049250 where: bonds (distance) C4'-P energy: -59.575 bonds (distance) P-C4' energy: -68.380 flat angles C4'-P-C4' energy: -70.185 flat angles P-C4'-P energy: -43.367 tors. eta vs tors. theta energy: -82.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1046.304912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.304912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.304912 (E_RNA) where: Base-Base interactions energy: -755.423 where: short stacking energy: -302.101 Base-Backbone interact. energy: -2.036 local terms energy: -288.846467 where: bonds (distance) C4'-P energy: -57.904 bonds (distance) P-C4' energy: -60.945 flat angles C4'-P-C4' energy: -54.808 flat angles P-C4'-P energy: -28.682 tors. eta vs tors. theta energy: -86.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -963.176202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.176202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.176202 (E_RNA) where: Base-Base interactions energy: -667.107 where: short stacking energy: -281.881 Base-Backbone interact. energy: 1.168 local terms energy: -297.236518 where: bonds (distance) C4'-P energy: -52.447 bonds (distance) P-C4' energy: -61.266 flat angles C4'-P-C4' energy: -59.331 flat angles P-C4'-P energy: -48.091 tors. eta vs tors. theta energy: -76.102 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: 8 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -910.241247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.241247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.241247 (E_RNA) where: Base-Base interactions energy: -641.021 where: short stacking energy: -253.974 Base-Backbone interact. energy: -2.913 local terms energy: -266.306811 where: bonds (distance) C4'-P energy: -54.544 bonds (distance) P-C4' energy: -63.150 flat angles C4'-P-C4' energy: -55.815 flat angles P-C4'-P energy: -41.419 tors. eta vs tors. theta energy: -51.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -790.084085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.084085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.084085 (E_RNA) where: Base-Base interactions energy: -543.927 where: short stacking energy: -234.294 Base-Backbone interact. energy: -0.582 local terms energy: -245.574775 where: bonds (distance) C4'-P energy: -55.466 bonds (distance) P-C4' energy: -59.420 flat angles C4'-P-C4' energy: -43.134 flat angles P-C4'-P energy: -30.813 tors. eta vs tors. theta energy: -56.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -715.742669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.742669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.742669 (E_RNA) where: Base-Base interactions energy: -478.291 where: short stacking energy: -217.393 Base-Backbone interact. energy: -1.275 local terms energy: -236.176667 where: bonds (distance) C4'-P energy: -50.698 bonds (distance) P-C4' energy: -54.655 flat angles C4'-P-C4' energy: -55.478 flat angles P-C4'-P energy: -35.672 tors. eta vs tors. theta energy: -39.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -512.815951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.815951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.815951 (E_RNA) where: Base-Base interactions energy: -315.285 where: short stacking energy: -152.287 Base-Backbone interact. energy: -1.771 local terms energy: -195.759047 where: bonds (distance) C4'-P energy: -64.707 bonds (distance) P-C4' energy: -48.303 flat angles C4'-P-C4' energy: -39.892 flat angles P-C4'-P energy: -22.764 tors. eta vs tors. theta energy: -20.093 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: 1, replica: 10 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1211.161421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.161421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.161421 (E_RNA) where: Base-Base interactions energy: -854.355 where: short stacking energy: -352.655 Base-Backbone interact. energy: -1.702 local terms energy: -355.104459 where: bonds (distance) C4'-P energy: -66.376 bonds (distance) P-C4' energy: -68.690 flat angles C4'-P-C4' energy: -72.085 flat angles P-C4'-P energy: -58.371 tors. eta vs tors. theta energy: -89.582 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: 4 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1168.140761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.140761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.140761 (E_RNA) where: Base-Base interactions energy: -815.750 where: short stacking energy: -353.610 Base-Backbone interact. energy: -0.445 local terms energy: -351.945649 where: bonds (distance) C4'-P energy: -68.984 bonds (distance) P-C4' energy: -55.853 flat angles C4'-P-C4' energy: -76.548 flat angles P-C4'-P energy: -50.889 tors. eta vs tors. theta energy: -99.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1107.456033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.456033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.456033 (E_RNA) where: Base-Base interactions energy: -789.693 where: short stacking energy: -322.572 Base-Backbone interact. energy: -0.794 local terms energy: -316.969139 where: bonds (distance) C4'-P energy: -68.254 bonds (distance) P-C4' energy: -61.161 flat angles C4'-P-C4' energy: -64.834 flat angles P-C4'-P energy: -48.053 tors. eta vs tors. theta energy: -74.667 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: 4, replica: 1 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1060.598487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.598487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.598487 (E_RNA) where: Base-Base interactions energy: -747.661 where: short stacking energy: -305.449 Base-Backbone interact. energy: 0.015 local terms energy: -312.952866 where: bonds (distance) C4'-P energy: -61.170 bonds (distance) P-C4' energy: -66.146 flat angles C4'-P-C4' energy: -63.443 flat angles P-C4'-P energy: -41.150 tors. eta vs tors. theta energy: -81.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1057.408581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.408581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.408581 (E_RNA) where: Base-Base interactions energy: -742.314 where: short stacking energy: -318.786 Base-Backbone interact. energy: -1.364 local terms energy: -313.729682 where: bonds (distance) C4'-P energy: -57.183 bonds (distance) P-C4' energy: -58.144 flat angles C4'-P-C4' energy: -67.666 flat angles P-C4'-P energy: -43.128 tors. eta vs tors. theta energy: -87.609 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: 6 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -967.839996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.839996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.839996 (E_RNA) where: Base-Base interactions energy: -700.143 where: short stacking energy: -273.189 Base-Backbone interact. energy: -4.696 local terms energy: -263.000841 where: bonds (distance) C4'-P energy: -37.249 bonds (distance) P-C4' energy: -55.129 flat angles C4'-P-C4' energy: -62.700 flat angles P-C4'-P energy: -36.485 tors. eta vs tors. theta energy: -71.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -915.433543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.433543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.433543 (E_RNA) where: Base-Base interactions energy: -644.167 where: short stacking energy: -260.551 Base-Backbone interact. energy: 0.013 local terms energy: -271.279944 where: bonds (distance) C4'-P energy: -47.990 bonds (distance) P-C4' energy: -60.710 flat angles C4'-P-C4' energy: -56.406 flat angles P-C4'-P energy: -41.443 tors. eta vs tors. theta energy: -64.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -789.565674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.565674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.565674 (E_RNA) where: Base-Base interactions energy: -554.669 where: short stacking energy: -249.543 Base-Backbone interact. energy: -0.584 local terms energy: -234.312549 where: bonds (distance) C4'-P energy: -44.284 bonds (distance) P-C4' energy: -63.759 flat angles C4'-P-C4' energy: -46.622 flat angles P-C4'-P energy: -17.033 tors. eta vs tors. theta energy: -62.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -620.819551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.819551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.819551 (E_RNA) where: Base-Base interactions energy: -413.720 where: short stacking energy: -191.188 Base-Backbone interact. energy: 0.147 local terms energy: -207.247095 where: bonds (distance) C4'-P energy: -44.075 bonds (distance) P-C4' energy: -43.444 flat angles C4'-P-C4' energy: -37.367 flat angles P-C4'-P energy: -43.280 tors. eta vs tors. theta energy: -39.081 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: 3 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -573.974789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.974789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.974789 (E_RNA) where: Base-Base interactions energy: -366.771 where: short stacking energy: -169.757 Base-Backbone interact. energy: -0.186 local terms energy: -207.017933 where: bonds (distance) C4'-P energy: -47.336 bonds (distance) P-C4' energy: -56.275 flat angles C4'-P-C4' energy: -51.946 flat angles P-C4'-P energy: -35.188 tors. eta vs tors. theta energy: -16.273 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: 1, replica: 4 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1171.011511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.011511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.011511 (E_RNA) where: Base-Base interactions energy: -811.185 where: short stacking energy: -376.192 Base-Backbone interact. energy: -0.850 local terms energy: -358.976060 where: bonds (distance) C4'-P energy: -58.148 bonds (distance) P-C4' energy: -67.434 flat angles C4'-P-C4' energy: -73.700 flat angles P-C4'-P energy: -46.499 tors. eta vs tors. theta energy: -113.195 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: 10 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1191.801438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.801438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.801438 (E_RNA) where: Base-Base interactions energy: -858.156 where: short stacking energy: -348.626 Base-Backbone interact. energy: -1.736 local terms energy: -331.909564 where: bonds (distance) C4'-P energy: -59.540 bonds (distance) P-C4' energy: -59.135 flat angles C4'-P-C4' energy: -70.785 flat angles P-C4'-P energy: -53.598 tors. eta vs tors. theta energy: -88.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1114.905841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.905841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.905841 (E_RNA) where: Base-Base interactions energy: -789.353 where: short stacking energy: -346.498 Base-Backbone interact. energy: -0.093 local terms energy: -325.459834 where: bonds (distance) C4'-P energy: -49.034 bonds (distance) P-C4' energy: -68.824 flat angles C4'-P-C4' energy: -72.943 flat angles P-C4'-P energy: -50.574 tors. eta vs tors. theta energy: -84.085 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: 1 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1101.316770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.316770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.316770 (E_RNA) where: Base-Base interactions energy: -795.493 where: short stacking energy: -316.349 Base-Backbone interact. energy: -0.475 local terms energy: -305.348953 where: bonds (distance) C4'-P energy: -55.239 bonds (distance) P-C4' energy: -64.277 flat angles C4'-P-C4' energy: -69.402 flat angles P-C4'-P energy: -35.275 tors. eta vs tors. theta energy: -81.156 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: 5 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1062.555967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.555967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.555967 (E_RNA) where: Base-Base interactions energy: -766.630 where: short stacking energy: -321.370 Base-Backbone interact. energy: -1.855 local terms energy: -294.070424 where: bonds (distance) C4'-P energy: -46.719 bonds (distance) P-C4' energy: -57.637 flat angles C4'-P-C4' energy: -71.131 flat angles P-C4'-P energy: -36.742 tors. eta vs tors. theta energy: -81.842 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: 440 Temperature: 1.150000 Total energy: -970.459313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.459313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.459313 (E_RNA) where: Base-Base interactions energy: -663.590 where: short stacking energy: -286.390 Base-Backbone interact. energy: -2.688 local terms energy: -304.181260 where: bonds (distance) C4'-P energy: -61.359 bonds (distance) P-C4' energy: -50.832 flat angles C4'-P-C4' energy: -62.402 flat angles P-C4'-P energy: -51.012 tors. eta vs tors. theta energy: -78.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -813.346006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.346006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.346006 (E_RNA) where: Base-Base interactions energy: -550.940 where: short stacking energy: -242.873 Base-Backbone interact. energy: 0.478 local terms energy: -262.884551 where: bonds (distance) C4'-P energy: -58.283 bonds (distance) P-C4' energy: -64.245 flat angles C4'-P-C4' energy: -57.194 flat angles P-C4'-P energy: -32.947 tors. eta vs tors. theta energy: -50.215 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: 8 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -871.866844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.866844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.866844 (E_RNA) where: Base-Base interactions energy: -609.285 where: short stacking energy: -246.653 Base-Backbone interact. energy: -3.253 local terms energy: -259.328387 where: bonds (distance) C4'-P energy: -53.285 bonds (distance) P-C4' energy: -53.285 flat angles C4'-P-C4' energy: -48.754 flat angles P-C4'-P energy: -40.501 tors. eta vs tors. theta energy: -63.503 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: 2 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -649.418871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.418871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.418871 (E_RNA) where: Base-Base interactions energy: -397.649 where: short stacking energy: -213.462 Base-Backbone interact. energy: -1.476 local terms energy: -250.294251 where: bonds (distance) C4'-P energy: -51.401 bonds (distance) P-C4' energy: -62.442 flat angles C4'-P-C4' energy: -48.973 flat angles P-C4'-P energy: -40.414 tors. eta vs tors. theta energy: -47.064 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: 440 Temperature: 1.350000 Total energy: -521.822265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.822265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.822265 (E_RNA) where: Base-Base interactions energy: -302.371 where: short stacking energy: -145.067 Base-Backbone interact. energy: -2.050 local terms energy: -217.401609 where: bonds (distance) C4'-P energy: -46.326 bonds (distance) P-C4' energy: -57.263 flat angles C4'-P-C4' energy: -54.453 flat angles P-C4'-P energy: -46.398 tors. eta vs tors. theta energy: -12.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1186.388257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.388257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.388257 (E_RNA) where: Base-Base interactions energy: -827.716 where: short stacking energy: -372.669 Base-Backbone interact. energy: 0.264 local terms energy: -358.936860 where: bonds (distance) C4'-P energy: -68.049 bonds (distance) P-C4' energy: -65.153 flat angles C4'-P-C4' energy: -70.757 flat angles P-C4'-P energy: -48.177 tors. eta vs tors. theta energy: -106.801 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: 2, replica: 10 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1198.778790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.778790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.778790 (E_RNA) where: Base-Base interactions energy: -850.596 where: short stacking energy: -361.767 Base-Backbone interact. energy: -1.330 local terms energy: -346.853105 where: bonds (distance) C4'-P energy: -66.232 bonds (distance) P-C4' energy: -63.820 flat angles C4'-P-C4' energy: -71.845 flat angles P-C4'-P energy: -51.066 tors. eta vs tors. theta energy: -93.889 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: 441 Temperature: 1.000000 Total energy: -1124.981295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.981295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.981295 (E_RNA) where: Base-Base interactions energy: -798.284 where: short stacking energy: -348.274 Base-Backbone interact. energy: -0.807 local terms energy: -325.890879 where: bonds (distance) C4'-P energy: -66.064 bonds (distance) P-C4' energy: -66.323 flat angles C4'-P-C4' energy: -64.756 flat angles P-C4'-P energy: -38.403 tors. eta vs tors. theta energy: -90.346 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: 1 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1062.035679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.035679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.035679 (E_RNA) where: Base-Base interactions energy: -757.644 where: short stacking energy: -293.516 Base-Backbone interact. energy: -0.890 local terms energy: -303.501386 where: bonds (distance) C4'-P energy: -56.373 bonds (distance) P-C4' energy: -53.466 flat angles C4'-P-C4' energy: -72.356 flat angles P-C4'-P energy: -39.541 tors. eta vs tors. theta energy: -81.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1054.663025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.663025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.663025 (E_RNA) where: Base-Base interactions energy: -729.113 where: short stacking energy: -311.248 Base-Backbone interact. energy: -1.341 local terms energy: -324.209671 where: bonds (distance) C4'-P energy: -61.076 bonds (distance) P-C4' energy: -57.205 flat angles C4'-P-C4' energy: -69.173 flat angles P-C4'-P energy: -49.022 tors. eta vs tors. theta energy: -87.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -986.236863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.236863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.236863 (E_RNA) where: Base-Base interactions energy: -695.335 where: short stacking energy: -270.548 Base-Backbone interact. energy: -0.323 local terms energy: -290.578750 where: bonds (distance) C4'-P energy: -57.268 bonds (distance) P-C4' energy: -61.088 flat angles C4'-P-C4' energy: -55.335 flat angles P-C4'-P energy: -43.909 tors. eta vs tors. theta energy: -72.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -787.703798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.703798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.703798 (E_RNA) where: Base-Base interactions energy: -523.023 where: short stacking energy: -233.346 Base-Backbone interact. energy: 2.519 local terms energy: -267.200382 where: bonds (distance) C4'-P energy: -45.757 bonds (distance) P-C4' energy: -62.483 flat angles C4'-P-C4' energy: -69.359 flat angles P-C4'-P energy: -29.231 tors. eta vs tors. theta energy: -60.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -869.152302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.152302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.152302 (E_RNA) where: Base-Base interactions energy: -628.488 where: short stacking energy: -244.742 Base-Backbone interact. energy: -1.268 local terms energy: -239.396830 where: bonds (distance) C4'-P energy: -50.675 bonds (distance) P-C4' energy: -46.159 flat angles C4'-P-C4' energy: -51.237 flat angles P-C4'-P energy: -27.479 tors. eta vs tors. theta energy: -63.847 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: 2 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -619.789931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.789931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.789931 (E_RNA) where: Base-Base interactions energy: -398.546 where: short stacking energy: -181.118 Base-Backbone interact. energy: -2.112 local terms energy: -219.131962 where: bonds (distance) C4'-P energy: -49.113 bonds (distance) P-C4' energy: -62.367 flat angles C4'-P-C4' energy: -46.767 flat angles P-C4'-P energy: -34.734 tors. eta vs tors. theta energy: -26.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -538.265400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.265400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.265400 (E_RNA) where: Base-Base interactions energy: -333.306 where: short stacking energy: -155.303 Base-Backbone interact. energy: -1.729 local terms energy: -203.230738 where: bonds (distance) C4'-P energy: -42.015 bonds (distance) P-C4' energy: -58.758 flat angles C4'-P-C4' energy: -45.691 flat angles P-C4'-P energy: -34.848 tors. eta vs tors. theta energy: -21.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1205.297932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.297932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.297932 (E_RNA) where: Base-Base interactions energy: -862.460 where: short stacking energy: -358.319 Base-Backbone interact. energy: 1.556 local terms energy: -344.394217 where: bonds (distance) C4'-P energy: -66.539 bonds (distance) P-C4' energy: -64.268 flat angles C4'-P-C4' energy: -77.834 flat angles P-C4'-P energy: -43.719 tors. eta vs tors. theta energy: -92.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1147.528538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.528538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.528538 (E_RNA) where: Base-Base interactions energy: -788.331 where: short stacking energy: -351.309 Base-Backbone interact. energy: -2.192 local terms energy: -357.006100 where: bonds (distance) C4'-P energy: -64.725 bonds (distance) P-C4' energy: -67.870 flat angles C4'-P-C4' energy: -74.968 flat angles P-C4'-P energy: -48.632 tors. eta vs tors. theta energy: -100.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1088.916872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.916872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.916872 (E_RNA) where: Base-Base interactions energy: -770.627 where: short stacking energy: -300.034 Base-Backbone interact. energy: -1.863 local terms energy: -316.427057 where: bonds (distance) C4'-P energy: -53.164 bonds (distance) P-C4' energy: -65.759 flat angles C4'-P-C4' energy: -67.897 flat angles P-C4'-P energy: -47.026 tors. eta vs tors. theta energy: -82.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1111.203318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.203318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.203318 (E_RNA) where: Base-Base interactions energy: -797.250 where: short stacking energy: -338.415 Base-Backbone interact. energy: 3.666 local terms energy: -317.619312 where: bonds (distance) C4'-P energy: -61.364 bonds (distance) P-C4' energy: -55.820 flat angles C4'-P-C4' energy: -62.287 flat angles P-C4'-P energy: -43.282 tors. eta vs tors. theta energy: -94.866 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: 5 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1061.512505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.512505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.512505 (E_RNA) where: Base-Base interactions energy: -765.788 where: short stacking energy: -333.832 Base-Backbone interact. energy: -1.481 local terms energy: -294.243666 where: bonds (distance) C4'-P energy: -47.997 bonds (distance) P-C4' energy: -50.564 flat angles C4'-P-C4' energy: -72.521 flat angles P-C4'-P energy: -47.333 tors. eta vs tors. theta energy: -75.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -946.344275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.344275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.344275 (E_RNA) where: Base-Base interactions energy: -684.824 where: short stacking energy: -252.278 Base-Backbone interact. energy: -0.116 local terms energy: -261.404235 where: bonds (distance) C4'-P energy: -58.206 bonds (distance) P-C4' energy: -50.167 flat angles C4'-P-C4' energy: -52.372 flat angles P-C4'-P energy: -38.574 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: 7, replica: 8 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -880.239630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.239630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.239630 (E_RNA) where: Base-Base interactions energy: -623.004 where: short stacking energy: -253.452 Base-Backbone interact. energy: 1.095 local terms energy: -258.329961 where: bonds (distance) C4'-P energy: -50.674 bonds (distance) P-C4' energy: -53.662 flat angles C4'-P-C4' energy: -55.551 flat angles P-C4'-P energy: -33.192 tors. eta vs tors. theta energy: -65.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -788.695440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.695440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.695440 (E_RNA) where: Base-Base interactions energy: -518.018 where: short stacking energy: -234.695 Base-Backbone interact. energy: -1.512 local terms energy: -269.165694 where: bonds (distance) C4'-P energy: -52.972 bonds (distance) P-C4' energy: -62.356 flat angles C4'-P-C4' energy: -60.444 flat angles P-C4'-P energy: -36.148 tors. eta vs tors. theta energy: -57.246 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: 2 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -630.093503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.093503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.093503 (E_RNA) where: Base-Base interactions energy: -399.945 where: short stacking energy: -180.642 Base-Backbone interact. energy: -0.453 local terms energy: -229.695907 where: bonds (distance) C4'-P energy: -53.614 bonds (distance) P-C4' energy: -54.334 flat angles C4'-P-C4' energy: -46.898 flat angles P-C4'-P energy: -39.329 tors. eta vs tors. theta energy: -35.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -519.257269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.257269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.257269 (E_RNA) where: Base-Base interactions energy: -306.572 where: short stacking energy: -156.611 Base-Backbone interact. energy: 2.934 local terms energy: -215.618953 where: bonds (distance) C4'-P energy: -52.657 bonds (distance) P-C4' energy: -58.059 flat angles C4'-P-C4' energy: -58.016 flat angles P-C4'-P energy: -32.985 tors. eta vs tors. theta energy: -13.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1205.113655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.113655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.113655 (E_RNA) where: Base-Base interactions energy: -861.855 where: short stacking energy: -356.216 Base-Backbone interact. energy: -0.827 local terms energy: -342.431763 where: bonds (distance) C4'-P energy: -61.352 bonds (distance) P-C4' energy: -64.468 flat angles C4'-P-C4' energy: -73.108 flat angles P-C4'-P energy: -51.072 tors. eta vs tors. theta energy: -92.432 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: 443 Temperature: 0.950000 Total energy: -1153.741199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.741199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.741199 (E_RNA) where: Base-Base interactions energy: -806.635 where: short stacking energy: -340.137 Base-Backbone interact. energy: -1.356 local terms energy: -345.750023 where: bonds (distance) C4'-P energy: -53.157 bonds (distance) P-C4' energy: -60.928 flat angles C4'-P-C4' energy: -78.967 flat angles P-C4'-P energy: -48.414 tors. eta vs tors. theta energy: -104.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1096.066867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.066867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.066867 (E_RNA) where: Base-Base interactions energy: -791.986 where: short stacking energy: -298.424 Base-Backbone interact. energy: -2.153 local terms energy: -301.928041 where: bonds (distance) C4'-P energy: -56.426 bonds (distance) P-C4' energy: -60.079 flat angles C4'-P-C4' energy: -67.488 flat angles P-C4'-P energy: -43.130 tors. eta vs tors. theta energy: -74.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1075.897554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.897554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.897554 (E_RNA) where: Base-Base interactions energy: -765.700 where: short stacking energy: -312.959 Base-Backbone interact. energy: -1.117 local terms energy: -309.080338 where: bonds (distance) C4'-P energy: -48.262 bonds (distance) P-C4' energy: -64.951 flat angles C4'-P-C4' energy: -68.572 flat angles P-C4'-P energy: -49.665 tors. eta vs tors. theta energy: -77.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1063.225790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.225790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.225790 (E_RNA) where: Base-Base interactions energy: -750.419 where: short stacking energy: -310.052 Base-Backbone interact. energy: 1.416 local terms energy: -314.223614 where: bonds (distance) C4'-P energy: -64.652 bonds (distance) P-C4' energy: -58.524 flat angles C4'-P-C4' energy: -68.630 flat angles P-C4'-P energy: -40.944 tors. eta vs tors. theta energy: -81.474 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: 6 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -951.604166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.604166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.604166 (E_RNA) where: Base-Base interactions energy: -663.987 where: short stacking energy: -257.924 Base-Backbone interact. energy: -0.863 local terms energy: -286.754321 where: bonds (distance) C4'-P energy: -56.550 bonds (distance) P-C4' energy: -68.244 flat angles C4'-P-C4' energy: -66.498 flat angles P-C4'-P energy: -32.714 tors. eta vs tors. theta energy: -62.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -901.143953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.143953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.143953 (E_RNA) where: Base-Base interactions energy: -632.427 where: short stacking energy: -261.512 Base-Backbone interact. energy: 0.344 local terms energy: -269.061215 where: bonds (distance) C4'-P energy: -53.580 bonds (distance) P-C4' energy: -56.521 flat angles C4'-P-C4' energy: -60.515 flat angles P-C4'-P energy: -41.478 tors. eta vs tors. theta energy: -56.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -790.378771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.378771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.378771 (E_RNA) where: Base-Base interactions energy: -548.962 where: short stacking energy: -269.103 Base-Backbone interact. energy: -0.310 local terms energy: -241.106949 where: bonds (distance) C4'-P energy: -57.353 bonds (distance) P-C4' energy: -44.243 flat angles C4'-P-C4' energy: -55.314 flat angles P-C4'-P energy: -31.263 tors. eta vs tors. theta energy: -52.933 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: 2 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -636.380019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.380019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.380019 (E_RNA) where: Base-Base interactions energy: -395.783 where: short stacking energy: -195.152 Base-Backbone interact. energy: -2.482 local terms energy: -238.114451 where: bonds (distance) C4'-P energy: -51.187 bonds (distance) P-C4' energy: -59.142 flat angles C4'-P-C4' energy: -53.130 flat angles P-C4'-P energy: -38.498 tors. eta vs tors. theta energy: -36.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -530.887446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.887446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.887446 (E_RNA) where: Base-Base interactions energy: -329.675 where: short stacking energy: -158.248 Base-Backbone interact. energy: -2.453 local terms energy: -198.759728 where: bonds (distance) C4'-P energy: -43.373 bonds (distance) P-C4' energy: -53.144 flat angles C4'-P-C4' energy: -53.548 flat angles P-C4'-P energy: -27.395 tors. eta vs tors. theta energy: -21.299 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: 10 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1193.762032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.762032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.762032 (E_RNA) where: Base-Base interactions energy: -848.308 where: short stacking energy: -354.618 Base-Backbone interact. energy: -1.220 local terms energy: -344.233777 where: bonds (distance) C4'-P energy: -53.218 bonds (distance) P-C4' energy: -67.867 flat angles C4'-P-C4' energy: -77.166 flat angles P-C4'-P energy: -53.543 tors. eta vs tors. theta energy: -92.440 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: 2, replica: 4 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1158.146828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.146828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.146828 (E_RNA) where: Base-Base interactions energy: -812.307 where: short stacking energy: -342.892 Base-Backbone interact. energy: -1.661 local terms energy: -344.178553 where: bonds (distance) C4'-P energy: -63.292 bonds (distance) P-C4' energy: -60.278 flat angles C4'-P-C4' energy: -73.683 flat angles P-C4'-P energy: -48.001 tors. eta vs tors. theta energy: -98.925 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: 9 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1113.285183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.285183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.285183 (E_RNA) where: Base-Base interactions energy: -795.903 where: short stacking energy: -327.248 Base-Backbone interact. energy: -2.638 local terms energy: -314.744857 where: bonds (distance) C4'-P energy: -50.486 bonds (distance) P-C4' energy: -68.768 flat angles C4'-P-C4' energy: -63.265 flat angles P-C4'-P energy: -48.576 tors. eta vs tors. theta energy: -83.650 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: 1 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1079.576013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.576013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.576013 (E_RNA) where: Base-Base interactions energy: -770.761 where: short stacking energy: -297.820 Base-Backbone interact. energy: 1.207 local terms energy: -310.022006 where: bonds (distance) C4'-P energy: -56.743 bonds (distance) P-C4' energy: -67.856 flat angles C4'-P-C4' energy: -70.073 flat angles P-C4'-P energy: -51.315 tors. eta vs tors. theta energy: -64.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1051.087816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.087816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.087816 (E_RNA) where: Base-Base interactions energy: -741.351 where: short stacking energy: -302.676 Base-Backbone interact. energy: -1.187 local terms energy: -308.549728 where: bonds (distance) C4'-P energy: -55.686 bonds (distance) P-C4' energy: -50.309 flat angles C4'-P-C4' energy: -72.896 flat angles P-C4'-P energy: -44.398 tors. eta vs tors. theta energy: -85.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -951.043637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.043637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.043637 (E_RNA) where: Base-Base interactions energy: -677.887 where: short stacking energy: -276.766 Base-Backbone interact. energy: 2.656 local terms energy: -275.811907 where: bonds (distance) C4'-P energy: -57.799 bonds (distance) P-C4' energy: -57.446 flat angles C4'-P-C4' energy: -64.045 flat angles P-C4'-P energy: -27.390 tors. eta vs tors. theta energy: -69.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -906.433716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.433716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.433716 (E_RNA) where: Base-Base interactions energy: -630.460 where: short stacking energy: -271.396 Base-Backbone interact. energy: -1.821 local terms energy: -274.152687 where: bonds (distance) C4'-P energy: -63.303 bonds (distance) P-C4' energy: -47.242 flat angles C4'-P-C4' energy: -54.192 flat angles P-C4'-P energy: -45.992 tors. eta vs tors. theta energy: -63.425 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: 444 Temperature: 1.250000 Total energy: -777.054051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.054051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.054051 (E_RNA) where: Base-Base interactions energy: -524.576 where: short stacking energy: -236.998 Base-Backbone interact. energy: -0.258 local terms energy: -252.220318 where: bonds (distance) C4'-P energy: -40.702 bonds (distance) P-C4' energy: -58.314 flat angles C4'-P-C4' energy: -56.264 flat angles P-C4'-P energy: -38.798 tors. eta vs tors. theta energy: -58.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -660.242124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.242124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.242124 (E_RNA) where: Base-Base interactions energy: -412.218 where: short stacking energy: -182.877 Base-Backbone interact. energy: -0.997 local terms energy: -247.027080 where: bonds (distance) C4'-P energy: -57.468 bonds (distance) P-C4' energy: -56.327 flat angles C4'-P-C4' energy: -56.753 flat angles P-C4'-P energy: -44.395 tors. eta vs tors. theta energy: -32.084 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: 10, replica: 3 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -542.940907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.940907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.940907 (E_RNA) where: Base-Base interactions energy: -315.889 where: short stacking energy: -129.747 Base-Backbone interact. energy: 2.205 local terms energy: -229.257182 where: bonds (distance) C4'-P energy: -61.056 bonds (distance) P-C4' energy: -55.288 flat angles C4'-P-C4' energy: -55.449 flat angles P-C4'-P energy: -43.650 tors. eta vs tors. theta energy: -13.813 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: 10 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1205.963708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.963708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.963708 (E_RNA) where: Base-Base interactions energy: -847.389 where: short stacking energy: -360.793 Base-Backbone interact. energy: -1.926 local terms energy: -356.648401 where: bonds (distance) C4'-P energy: -74.209 bonds (distance) P-C4' energy: -66.920 flat angles C4'-P-C4' energy: -74.125 flat angles P-C4'-P energy: -53.127 tors. eta vs tors. theta energy: -88.268 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: 4 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1157.806917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.806917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.806917 (E_RNA) where: Base-Base interactions energy: -820.074 where: short stacking energy: -371.743 Base-Backbone interact. energy: -0.936 local terms energy: -336.796870 where: bonds (distance) C4'-P energy: -60.929 bonds (distance) P-C4' energy: -59.718 flat angles C4'-P-C4' energy: -66.975 flat angles P-C4'-P energy: -47.322 tors. eta vs tors. theta energy: -101.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1128.494912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.494912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.494912 (E_RNA) where: Base-Base interactions energy: -813.495 where: short stacking energy: -333.621 Base-Backbone interact. energy: 3.023 local terms energy: -318.023396 where: bonds (distance) C4'-P energy: -58.133 bonds (distance) P-C4' energy: -60.985 flat angles C4'-P-C4' energy: -64.895 flat angles P-C4'-P energy: -42.686 tors. eta vs tors. theta energy: -91.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1082.304638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.304638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.304638 (E_RNA) where: Base-Base interactions energy: -768.740 where: short stacking energy: -334.533 Base-Backbone interact. energy: -0.811 local terms energy: -312.753592 where: bonds (distance) C4'-P energy: -46.846 bonds (distance) P-C4' energy: -57.959 flat angles C4'-P-C4' energy: -77.311 flat angles P-C4'-P energy: -42.856 tors. eta vs tors. theta energy: -87.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1050.790847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.790847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.790847 (E_RNA) where: Base-Base interactions energy: -754.165 where: short stacking energy: -281.473 Base-Backbone interact. energy: -0.293 local terms energy: -296.333601 where: bonds (distance) C4'-P energy: -49.888 bonds (distance) P-C4' energy: -67.334 flat angles C4'-P-C4' energy: -59.296 flat angles P-C4'-P energy: -40.794 tors. eta vs tors. theta energy: -79.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -929.826504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.826504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.826504 (E_RNA) where: Base-Base interactions energy: -675.716 where: short stacking energy: -260.755 Base-Backbone interact. energy: 0.825 local terms energy: -254.935663 where: bonds (distance) C4'-P energy: -46.733 bonds (distance) P-C4' energy: -64.981 flat angles C4'-P-C4' energy: -56.311 flat angles P-C4'-P energy: -29.359 tors. eta vs tors. theta energy: -57.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -905.354720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.354720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.354720 (E_RNA) where: Base-Base interactions energy: -627.666 where: short stacking energy: -263.197 Base-Backbone interact. energy: 0.496 local terms energy: -278.184460 where: bonds (distance) C4'-P energy: -56.791 bonds (distance) P-C4' energy: -53.149 flat angles C4'-P-C4' energy: -55.924 flat angles P-C4'-P energy: -51.225 tors. eta vs tors. theta energy: -61.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -832.155572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.155572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.155572 (E_RNA) where: Base-Base interactions energy: -564.670 where: short stacking energy: -245.326 Base-Backbone interact. energy: 1.119 local terms energy: -268.604593 where: bonds (distance) C4'-P energy: -50.445 bonds (distance) P-C4' energy: -54.698 flat angles C4'-P-C4' energy: -64.217 flat angles P-C4'-P energy: -37.061 tors. eta vs tors. theta energy: -62.184 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: 2 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -688.797475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.797475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.797475 (E_RNA) where: Base-Base interactions energy: -437.566 where: short stacking energy: -191.422 Base-Backbone interact. energy: 0.543 local terms energy: -251.773993 where: bonds (distance) C4'-P energy: -57.378 bonds (distance) P-C4' energy: -65.649 flat angles C4'-P-C4' energy: -51.610 flat angles P-C4'-P energy: -26.754 tors. eta vs tors. theta energy: -50.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -541.427664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.427664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.427664 (E_RNA) where: Base-Base interactions energy: -331.712 where: short stacking energy: -157.643 Base-Backbone interact. energy: -1.200 local terms energy: -208.514940 where: bonds (distance) C4'-P energy: -51.716 bonds (distance) P-C4' energy: -41.618 flat angles C4'-P-C4' energy: -57.360 flat angles P-C4'-P energy: -32.376 tors. eta vs tors. theta energy: -25.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1195.526718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.526718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.526718 (E_RNA) where: Base-Base interactions energy: -853.554 where: short stacking energy: -357.713 Base-Backbone interact. energy: -1.163 local terms energy: -340.809736 where: bonds (distance) C4'-P energy: -62.830 bonds (distance) P-C4' energy: -69.616 flat angles C4'-P-C4' energy: -65.435 flat angles P-C4'-P energy: -48.720 tors. eta vs tors. theta energy: -94.209 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: 446 Temperature: 0.950000 Total energy: -1159.529745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.529745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.529745 (E_RNA) where: Base-Base interactions energy: -805.198 where: short stacking energy: -371.573 Base-Backbone interact. energy: 0.340 local terms energy: -354.672062 where: bonds (distance) C4'-P energy: -55.881 bonds (distance) P-C4' energy: -69.626 flat angles C4'-P-C4' energy: -72.033 flat angles P-C4'-P energy: -49.744 tors. eta vs tors. theta energy: -107.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1128.696893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.696893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.696893 (E_RNA) where: Base-Base interactions energy: -798.064 where: short stacking energy: -335.600 Base-Backbone interact. energy: -0.780 local terms energy: -329.853325 where: bonds (distance) C4'-P energy: -59.413 bonds (distance) P-C4' energy: -66.531 flat angles C4'-P-C4' energy: -67.407 flat angles P-C4'-P energy: -48.479 tors. eta vs tors. theta energy: -88.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1086.267355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.267355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.267355 (E_RNA) where: Base-Base interactions energy: -780.249 where: short stacking energy: -325.623 Base-Backbone interact. energy: -0.255 local terms energy: -305.763250 where: bonds (distance) C4'-P energy: -42.117 bonds (distance) P-C4' energy: -67.216 flat angles C4'-P-C4' energy: -61.445 flat angles P-C4'-P energy: -51.838 tors. eta vs tors. theta energy: -83.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1045.067045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.067045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.067045 (E_RNA) where: Base-Base interactions energy: -741.682 where: short stacking energy: -288.689 Base-Backbone interact. energy: -1.046 local terms energy: -302.338907 where: bonds (distance) C4'-P energy: -53.072 bonds (distance) P-C4' energy: -68.615 flat angles C4'-P-C4' energy: -61.973 flat angles P-C4'-P energy: -48.061 tors. eta vs tors. theta energy: -70.618 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: 6 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -912.450722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.450722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.450722 (E_RNA) where: Base-Base interactions energy: -655.621 where: short stacking energy: -263.833 Base-Backbone interact. energy: 4.373 local terms energy: -261.202118 where: bonds (distance) C4'-P energy: -51.825 bonds (distance) P-C4' energy: -56.380 flat angles C4'-P-C4' energy: -50.284 flat angles P-C4'-P energy: -42.991 tors. eta vs tors. theta energy: -59.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -906.270025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.270025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.270025 (E_RNA) where: Base-Base interactions energy: -636.696 where: short stacking energy: -262.804 Base-Backbone interact. energy: 1.539 local terms energy: -271.113502 where: bonds (distance) C4'-P energy: -58.344 bonds (distance) P-C4' energy: -58.021 flat angles C4'-P-C4' energy: -60.923 flat angles P-C4'-P energy: -33.232 tors. eta vs tors. theta energy: -60.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -818.080190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.080190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.080190 (E_RNA) where: Base-Base interactions energy: -557.293 where: short stacking energy: -247.746 Base-Backbone interact. energy: 1.450 local terms energy: -262.236862 where: bonds (distance) C4'-P energy: -48.727 bonds (distance) P-C4' energy: -57.288 flat angles C4'-P-C4' energy: -59.939 flat angles P-C4'-P energy: -43.629 tors. eta vs tors. theta energy: -52.655 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: 2 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -653.836650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.836650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.836650 (E_RNA) where: Base-Base interactions energy: -422.578 where: short stacking energy: -170.283 Base-Backbone interact. energy: -2.105 local terms energy: -229.152839 where: bonds (distance) C4'-P energy: -47.194 bonds (distance) P-C4' energy: -59.617 flat angles C4'-P-C4' energy: -50.410 flat angles P-C4'-P energy: -40.014 tors. eta vs tors. theta energy: -31.918 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: 3 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -523.351802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.351802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.351802 (E_RNA) where: Base-Base interactions energy: -304.168 where: short stacking energy: -164.368 Base-Backbone interact. energy: 0.434 local terms energy: -219.617232 where: bonds (distance) C4'-P energy: -39.025 bonds (distance) P-C4' energy: -52.380 flat angles C4'-P-C4' energy: -56.656 flat angles P-C4'-P energy: -48.005 tors. eta vs tors. theta energy: -23.552 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: 10 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1205.937485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.937485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.937485 (E_RNA) where: Base-Base interactions energy: -848.141 where: short stacking energy: -358.762 Base-Backbone interact. energy: -2.012 local terms energy: -355.784464 where: bonds (distance) C4'-P energy: -65.764 bonds (distance) P-C4' energy: -68.066 flat angles C4'-P-C4' energy: -78.351 flat angles P-C4'-P energy: -50.702 tors. eta vs tors. theta energy: -92.902 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: 2, replica: 4 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1156.174882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.174882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.174882 (E_RNA) where: Base-Base interactions energy: -810.757 where: short stacking energy: -355.047 Base-Backbone interact. energy: -1.909 local terms energy: -343.508195 where: bonds (distance) C4'-P energy: -64.178 bonds (distance) P-C4' energy: -60.912 flat angles C4'-P-C4' energy: -61.994 flat angles P-C4'-P energy: -48.728 tors. eta vs tors. theta energy: -107.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1133.819170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.819170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.819170 (E_RNA) where: Base-Base interactions energy: -802.971 where: short stacking energy: -343.526 Base-Backbone interact. energy: -1.658 local terms energy: -329.189733 where: bonds (distance) C4'-P energy: -61.660 bonds (distance) P-C4' energy: -63.096 flat angles C4'-P-C4' energy: -70.038 flat angles P-C4'-P energy: -39.500 tors. eta vs tors. theta energy: -94.896 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: 4, replica: 5 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1073.803075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.803075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.803075 (E_RNA) where: Base-Base interactions energy: -766.533 where: short stacking energy: -313.044 Base-Backbone interact. energy: -2.857 local terms energy: -304.412576 where: bonds (distance) C4'-P energy: -54.106 bonds (distance) P-C4' energy: -65.245 flat angles C4'-P-C4' energy: -66.909 flat angles P-C4'-P energy: -36.306 tors. eta vs tors. theta energy: -81.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1056.398858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.398858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.398858 (E_RNA) where: Base-Base interactions energy: -768.806 where: short stacking energy: -296.293 Base-Backbone interact. energy: -1.786 local terms energy: -285.807252 where: bonds (distance) C4'-P energy: -52.551 bonds (distance) P-C4' energy: -56.664 flat angles C4'-P-C4' energy: -56.834 flat angles P-C4'-P energy: -51.938 tors. eta vs tors. theta energy: -67.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -931.282601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.282601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.282601 (E_RNA) where: Base-Base interactions energy: -664.054 where: short stacking energy: -265.768 Base-Backbone interact. energy: 0.043 local terms energy: -267.272348 where: bonds (distance) C4'-P energy: -52.701 bonds (distance) P-C4' energy: -57.797 flat angles C4'-P-C4' energy: -56.270 flat angles P-C4'-P energy: -42.347 tors. eta vs tors. theta energy: -58.158 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: 6 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -916.940958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.940958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.940958 (E_RNA) where: Base-Base interactions energy: -666.277 where: short stacking energy: -269.831 Base-Backbone interact. energy: 1.604 local terms energy: -252.267847 where: bonds (distance) C4'-P energy: -48.958 bonds (distance) P-C4' energy: -53.652 flat angles C4'-P-C4' energy: -50.496 flat angles P-C4'-P energy: -41.205 tors. eta vs tors. theta energy: -57.958 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: 7 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -874.398270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.398270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.398270 (E_RNA) where: Base-Base interactions energy: -619.101 where: short stacking energy: -259.679 Base-Backbone interact. energy: -0.251 local terms energy: -255.046149 where: bonds (distance) C4'-P energy: -58.187 bonds (distance) P-C4' energy: -51.680 flat angles C4'-P-C4' energy: -52.606 flat angles P-C4'-P energy: -34.460 tors. eta vs tors. theta energy: -58.113 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: 9, replica: 2 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -665.700299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.700299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.700299 (E_RNA) where: Base-Base interactions energy: -444.163 where: short stacking energy: -193.629 Base-Backbone interact. energy: -1.225 local terms energy: -220.312423 where: bonds (distance) C4'-P energy: -38.915 bonds (distance) P-C4' energy: -55.121 flat angles C4'-P-C4' energy: -61.465 flat angles P-C4'-P energy: -30.949 tors. eta vs tors. theta energy: -33.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -565.455115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.455115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.455115 (E_RNA) where: Base-Base interactions energy: -357.181 where: short stacking energy: -156.702 Base-Backbone interact. energy: -0.403 local terms energy: -207.871018 where: bonds (distance) C4'-P energy: -46.455 bonds (distance) P-C4' energy: -60.968 flat angles C4'-P-C4' energy: -50.256 flat angles P-C4'-P energy: -22.575 tors. eta vs tors. theta energy: -27.617 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: 10 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1219.534028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.534028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.534028 (E_RNA) where: Base-Base interactions energy: -877.284 where: short stacking energy: -356.341 Base-Backbone interact. energy: -1.169 local terms energy: -341.081788 where: bonds (distance) C4'-P energy: -69.585 bonds (distance) P-C4' energy: -59.878 flat angles C4'-P-C4' energy: -74.677 flat angles P-C4'-P energy: -48.984 tors. eta vs tors. theta energy: -87.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1147.318050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.318050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.318050 (E_RNA) where: Base-Base interactions energy: -791.487 where: short stacking energy: -343.886 Base-Backbone interact. energy: -1.405 local terms energy: -354.425234 where: bonds (distance) C4'-P energy: -64.536 bonds (distance) P-C4' energy: -70.067 flat angles C4'-P-C4' energy: -69.054 flat angles P-C4'-P energy: -51.854 tors. eta vs tors. theta energy: -98.914 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: 9 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1139.332436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.332436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.332436 (E_RNA) where: Base-Base interactions energy: -806.934 where: short stacking energy: -351.744 Base-Backbone interact. energy: 1.293 local terms energy: -333.691202 where: bonds (distance) C4'-P energy: -64.451 bonds (distance) P-C4' energy: -55.642 flat angles C4'-P-C4' energy: -72.025 flat angles P-C4'-P energy: -47.180 tors. eta vs tors. theta energy: -94.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1083.969515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.969515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.969515 (E_RNA) where: Base-Base interactions energy: -756.777 where: short stacking energy: -325.205 Base-Backbone interact. energy: -2.595 local terms energy: -324.597014 where: bonds (distance) C4'-P energy: -60.225 bonds (distance) P-C4' energy: -51.470 flat angles C4'-P-C4' energy: -80.869 flat angles P-C4'-P energy: -46.786 tors. eta vs tors. theta energy: -85.246 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: 1 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1056.530720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.530720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.530720 (E_RNA) where: Base-Base interactions energy: -767.197 where: short stacking energy: -270.902 Base-Backbone interact. energy: -0.388 local terms energy: -288.945197 where: bonds (distance) C4'-P energy: -58.275 bonds (distance) P-C4' energy: -68.782 flat angles C4'-P-C4' energy: -58.956 flat angles P-C4'-P energy: -39.583 tors. eta vs tors. theta energy: -63.349 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: 8 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -964.752090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.752090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.752090 (E_RNA) where: Base-Base interactions energy: -693.477 where: short stacking energy: -274.183 Base-Backbone interact. energy: 0.312 local terms energy: -271.587909 where: bonds (distance) C4'-P energy: -54.088 bonds (distance) P-C4' energy: -46.621 flat angles C4'-P-C4' energy: -57.971 flat angles P-C4'-P energy: -45.957 tors. eta vs tors. theta energy: -66.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -893.834383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.834383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.834383 (E_RNA) where: Base-Base interactions energy: -605.658 where: short stacking energy: -276.550 Base-Backbone interact. energy: -1.392 local terms energy: -286.784582 where: bonds (distance) C4'-P energy: -48.837 bonds (distance) P-C4' energy: -60.668 flat angles C4'-P-C4' energy: -62.077 flat angles P-C4'-P energy: -39.597 tors. eta vs tors. theta energy: -75.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -896.286193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.286193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.286193 (E_RNA) where: Base-Base interactions energy: -632.418 where: short stacking energy: -268.888 Base-Backbone interact. energy: -1.722 local terms energy: -262.146658 where: bonds (distance) C4'-P energy: -52.574 bonds (distance) P-C4' energy: -45.676 flat angles C4'-P-C4' energy: -58.771 flat angles P-C4'-P energy: -41.019 tors. eta vs tors. theta energy: -64.107 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: 2 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -642.180718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.180718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.180718 (E_RNA) where: Base-Base interactions energy: -414.214 where: short stacking energy: -192.563 Base-Backbone interact. energy: -1.661 local terms energy: -226.305435 where: bonds (distance) C4'-P energy: -54.049 bonds (distance) P-C4' energy: -59.700 flat angles C4'-P-C4' energy: -52.753 flat angles P-C4'-P energy: -29.089 tors. eta vs tors. theta energy: -30.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -645.946421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.946421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.946421 (E_RNA) where: Base-Base interactions energy: -421.165 where: short stacking energy: -177.223 Base-Backbone interact. energy: -1.801 local terms energy: -222.980809 where: bonds (distance) C4'-P energy: -44.504 bonds (distance) P-C4' energy: -54.834 flat angles C4'-P-C4' energy: -48.365 flat angles P-C4'-P energy: -32.277 tors. eta vs tors. theta energy: -43.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1203.834113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.834113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.834113 (E_RNA) where: Base-Base interactions energy: -853.931 where: short stacking energy: -355.155 Base-Backbone interact. energy: 2.877 local terms energy: -352.779729 where: bonds (distance) C4'-P energy: -57.695 bonds (distance) P-C4' energy: -74.329 flat angles C4'-P-C4' energy: -76.346 flat angles P-C4'-P energy: -52.898 tors. eta vs tors. theta energy: -91.512 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: 9 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1138.458040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.458040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.458040 (E_RNA) where: Base-Base interactions energy: -809.085 where: short stacking energy: -353.569 Base-Backbone interact. energy: 1.563 local terms energy: -330.935369 where: bonds (distance) C4'-P energy: -55.225 bonds (distance) P-C4' energy: -62.706 flat angles C4'-P-C4' energy: -70.985 flat angles P-C4'-P energy: -50.059 tors. eta vs tors. theta energy: -91.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1134.840831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.840831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.840831 (E_RNA) where: Base-Base interactions energy: -782.565 where: short stacking energy: -345.212 Base-Backbone interact. energy: -1.027 local terms energy: -351.249588 where: bonds (distance) C4'-P energy: -64.539 bonds (distance) P-C4' energy: -69.871 flat angles C4'-P-C4' energy: -71.577 flat angles P-C4'-P energy: -44.765 tors. eta vs tors. theta energy: -100.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1073.666650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.666650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.666650 (E_RNA) where: Base-Base interactions energy: -780.587 where: short stacking energy: -305.171 Base-Backbone interact. energy: -1.812 local terms energy: -291.267739 where: bonds (distance) C4'-P energy: -49.903 bonds (distance) P-C4' energy: -56.532 flat angles C4'-P-C4' energy: -66.691 flat angles P-C4'-P energy: -41.809 tors. eta vs tors. theta energy: -76.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1046.272075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.272075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.272075 (E_RNA) where: Base-Base interactions energy: -730.558 where: short stacking energy: -302.589 Base-Backbone interact. energy: 0.632 local terms energy: -316.345692 where: bonds (distance) C4'-P energy: -59.233 bonds (distance) P-C4' energy: -62.851 flat angles C4'-P-C4' energy: -66.221 flat angles P-C4'-P energy: -52.760 tors. eta vs tors. theta energy: -75.281 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: 6, replica: 8 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -968.218044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.218044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.218044 (E_RNA) where: Base-Base interactions energy: -687.864 where: short stacking energy: -294.570 Base-Backbone interact. energy: -0.970 local terms energy: -279.384517 where: bonds (distance) C4'-P energy: -42.427 bonds (distance) P-C4' energy: -58.473 flat angles C4'-P-C4' energy: -59.850 flat angles P-C4'-P energy: -40.683 tors. eta vs tors. theta energy: -77.952 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: 7, replica: 7 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -890.696878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.696878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.696878 (E_RNA) where: Base-Base interactions energy: -603.958 where: short stacking energy: -284.982 Base-Backbone interact. energy: -1.136 local terms energy: -285.603835 where: bonds (distance) C4'-P energy: -52.602 bonds (distance) P-C4' energy: -55.358 flat angles C4'-P-C4' energy: -68.416 flat angles P-C4'-P energy: -35.462 tors. eta vs tors. theta energy: -73.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -877.132918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.132918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.132918 (E_RNA) where: Base-Base interactions energy: -610.731 where: short stacking energy: -247.878 Base-Backbone interact. energy: 1.647 local terms energy: -268.048356 where: bonds (distance) C4'-P energy: -55.536 bonds (distance) P-C4' energy: -57.096 flat angles C4'-P-C4' energy: -58.519 flat angles P-C4'-P energy: -41.988 tors. eta vs tors. theta energy: -54.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -640.107857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.107857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.107857 (E_RNA) where: Base-Base interactions energy: -402.734 where: short stacking energy: -177.743 Base-Backbone interact. energy: -0.554 local terms energy: -236.820673 where: bonds (distance) C4'-P energy: -59.626 bonds (distance) P-C4' energy: -56.812 flat angles C4'-P-C4' energy: -52.596 flat angles P-C4'-P energy: -42.907 tors. eta vs tors. theta energy: -24.879 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: 3 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -646.494047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.494047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.494047 (E_RNA) where: Base-Base interactions energy: -408.961 where: short stacking energy: -185.647 Base-Backbone interact. energy: -1.064 local terms energy: -236.469071 where: bonds (distance) C4'-P energy: -44.973 bonds (distance) P-C4' energy: -54.084 flat angles C4'-P-C4' energy: -64.274 flat angles P-C4'-P energy: -33.955 tors. eta vs tors. theta energy: -39.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1168.134041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.134041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.134041 (E_RNA) where: Base-Base interactions energy: -813.387 where: short stacking energy: -338.633 Base-Backbone interact. energy: -0.571 local terms energy: -354.175671 where: bonds (distance) C4'-P energy: -63.149 bonds (distance) P-C4' energy: -66.130 flat angles C4'-P-C4' energy: -66.285 flat angles P-C4'-P energy: -58.662 tors. eta vs tors. theta energy: -99.950 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: 10 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1172.621701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.621701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.621701 (E_RNA) where: Base-Base interactions energy: -849.419 where: short stacking energy: -348.857 Base-Backbone interact. energy: 1.278 local terms energy: -324.480089 where: bonds (distance) C4'-P energy: -62.007 bonds (distance) P-C4' energy: -61.982 flat angles C4'-P-C4' energy: -70.208 flat angles P-C4'-P energy: -47.229 tors. eta vs tors. theta energy: -83.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1133.540944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.540944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.540944 (E_RNA) where: Base-Base interactions energy: -781.685 where: short stacking energy: -348.404 Base-Backbone interact. energy: -0.601 local terms energy: -351.254821 where: bonds (distance) C4'-P energy: -62.910 bonds (distance) P-C4' energy: -67.913 flat angles C4'-P-C4' energy: -70.839 flat angles P-C4'-P energy: -43.430 tors. eta vs tors. theta energy: -106.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1084.631278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.631278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.631278 (E_RNA) where: Base-Base interactions energy: -782.715 where: short stacking energy: -290.868 Base-Backbone interact. energy: -0.610 local terms energy: -301.306977 where: bonds (distance) C4'-P energy: -61.535 bonds (distance) P-C4' energy: -57.257 flat angles C4'-P-C4' energy: -71.001 flat angles P-C4'-P energy: -47.657 tors. eta vs tors. theta energy: -63.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1054.337531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.337531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.337531 (E_RNA) where: Base-Base interactions energy: -743.530 where: short stacking energy: -312.748 Base-Backbone interact. energy: -1.710 local terms energy: -309.096922 where: bonds (distance) C4'-P energy: -53.409 bonds (distance) P-C4' energy: -53.702 flat angles C4'-P-C4' energy: -67.820 flat angles P-C4'-P energy: -48.709 tors. eta vs tors. theta energy: -85.457 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: 6, replica: 8 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -953.753580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.753580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.753580 (E_RNA) where: Base-Base interactions energy: -660.225 where: short stacking energy: -275.835 Base-Backbone interact. energy: -0.321 local terms energy: -293.207200 where: bonds (distance) C4'-P energy: -58.028 bonds (distance) P-C4' energy: -61.879 flat angles C4'-P-C4' energy: -60.424 flat angles P-C4'-P energy: -41.517 tors. eta vs tors. theta energy: -71.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -879.945220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.945220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.945220 (E_RNA) where: Base-Base interactions energy: -584.848 where: short stacking energy: -239.474 Base-Backbone interact. energy: -3.561 local terms energy: -291.536376 where: bonds (distance) C4'-P energy: -56.162 bonds (distance) P-C4' energy: -63.398 flat angles C4'-P-C4' energy: -56.898 flat angles P-C4'-P energy: -47.054 tors. eta vs tors. theta energy: -68.024 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: 6 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -854.946132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.946132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.946132 (E_RNA) where: Base-Base interactions energy: -595.261 where: short stacking energy: -252.695 Base-Backbone interact. energy: -2.867 local terms energy: -256.817389 where: bonds (distance) C4'-P energy: -48.809 bonds (distance) P-C4' energy: -54.356 flat angles C4'-P-C4' energy: -58.563 flat angles P-C4'-P energy: -35.562 tors. eta vs tors. theta energy: -59.528 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: 2 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -633.631965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.631965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.631965 (E_RNA) where: Base-Base interactions energy: -407.873 where: short stacking energy: -193.447 Base-Backbone interact. energy: 1.669 local terms energy: -227.428075 where: bonds (distance) C4'-P energy: -47.284 bonds (distance) P-C4' energy: -50.558 flat angles C4'-P-C4' energy: -55.567 flat angles P-C4'-P energy: -36.595 tors. eta vs tors. theta energy: -37.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -607.734961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.734961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.734961 (E_RNA) where: Base-Base interactions energy: -400.283 where: short stacking energy: -171.579 Base-Backbone interact. energy: 1.073 local terms energy: -208.525003 where: bonds (distance) C4'-P energy: -40.713 bonds (distance) P-C4' energy: -65.101 flat angles C4'-P-C4' energy: -44.335 flat angles P-C4'-P energy: -26.987 tors. eta vs tors. theta energy: -31.389 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: 1, replica: 9 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1162.493999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.493999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.493999 (E_RNA) where: Base-Base interactions energy: -816.616 where: short stacking energy: -353.167 Base-Backbone interact. energy: -1.152 local terms energy: -344.725473 where: bonds (distance) C4'-P energy: -63.974 bonds (distance) P-C4' energy: -66.597 flat angles C4'-P-C4' energy: -70.140 flat angles P-C4'-P energy: -48.318 tors. eta vs tors. theta energy: -95.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1179.267160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.267160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.267160 (E_RNA) where: Base-Base interactions energy: -833.746 where: short stacking energy: -343.171 Base-Backbone interact. energy: -3.096 local terms energy: -342.425615 where: bonds (distance) C4'-P energy: -49.302 bonds (distance) P-C4' energy: -64.683 flat angles C4'-P-C4' energy: -80.078 flat angles P-C4'-P energy: -52.663 tors. eta vs tors. theta energy: -95.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1111.652165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.652165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.652165 (E_RNA) where: Base-Base interactions energy: -774.369 where: short stacking energy: -332.695 Base-Backbone interact. energy: -1.284 local terms energy: -335.999315 where: bonds (distance) C4'-P energy: -59.421 bonds (distance) P-C4' energy: -54.245 flat angles C4'-P-C4' energy: -76.982 flat angles P-C4'-P energy: -44.332 tors. eta vs tors. theta energy: -101.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1061.869096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.869096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.869096 (E_RNA) where: Base-Base interactions energy: -777.047 where: short stacking energy: -290.194 Base-Backbone interact. energy: -2.116 local terms energy: -282.705532 where: bonds (distance) C4'-P energy: -53.402 bonds (distance) P-C4' energy: -55.146 flat angles C4'-P-C4' energy: -67.413 flat angles P-C4'-P energy: -38.657 tors. eta vs tors. theta energy: -68.088 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: 5 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1033.677480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.677480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.677480 (E_RNA) where: Base-Base interactions energy: -739.232 where: short stacking energy: -298.968 Base-Backbone interact. energy: -0.367 local terms energy: -294.079287 where: bonds (distance) C4'-P energy: -49.967 bonds (distance) P-C4' energy: -61.248 flat angles C4'-P-C4' energy: -55.742 flat angles P-C4'-P energy: -44.551 tors. eta vs tors. theta energy: -82.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -947.165900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.165900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.165900 (E_RNA) where: Base-Base interactions energy: -658.271 where: short stacking energy: -273.344 Base-Backbone interact. energy: -0.971 local terms energy: -287.924142 where: bonds (distance) C4'-P energy: -64.908 bonds (distance) P-C4' energy: -58.717 flat angles C4'-P-C4' energy: -53.948 flat angles P-C4'-P energy: -39.852 tors. eta vs tors. theta energy: -70.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -870.005867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.005867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.005867 (E_RNA) where: Base-Base interactions energy: -582.013 where: short stacking energy: -248.137 Base-Backbone interact. energy: -1.149 local terms energy: -286.844594 where: bonds (distance) C4'-P energy: -61.862 bonds (distance) P-C4' energy: -46.083 flat angles C4'-P-C4' energy: -71.707 flat angles P-C4'-P energy: -40.955 tors. eta vs tors. theta energy: -66.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -883.855090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.855090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.855090 (E_RNA) where: Base-Base interactions energy: -620.193 where: short stacking energy: -270.407 Base-Backbone interact. energy: -0.502 local terms energy: -263.160670 where: bonds (distance) C4'-P energy: -48.216 bonds (distance) P-C4' energy: -45.461 flat angles C4'-P-C4' energy: -53.376 flat angles P-C4'-P energy: -47.591 tors. eta vs tors. theta energy: -68.517 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: 9, replica: 2 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -660.182111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.182111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.182111 (E_RNA) where: Base-Base interactions energy: -426.650 where: short stacking energy: -201.866 Base-Backbone interact. energy: -0.939 local terms energy: -232.593619 where: bonds (distance) C4'-P energy: -59.095 bonds (distance) P-C4' energy: -51.256 flat angles C4'-P-C4' energy: -54.130 flat angles P-C4'-P energy: -29.935 tors. eta vs tors. theta energy: -38.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -577.449388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.449388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.449388 (E_RNA) where: Base-Base interactions energy: -370.260 where: short stacking energy: -151.034 Base-Backbone interact. energy: -4.405 local terms energy: -202.784818 where: bonds (distance) C4'-P energy: -49.529 bonds (distance) P-C4' energy: -59.082 flat angles C4'-P-C4' energy: -49.353 flat angles P-C4'-P energy: -30.062 tors. eta vs tors. theta energy: -14.759 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: 10 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1203.445848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.445848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.445848 (E_RNA) where: Base-Base interactions energy: -856.875 where: short stacking energy: -349.398 Base-Backbone interact. energy: -0.915 local terms energy: -345.655199 where: bonds (distance) C4'-P energy: -73.374 bonds (distance) P-C4' energy: -63.949 flat angles C4'-P-C4' energy: -72.262 flat angles P-C4'-P energy: -50.568 tors. eta vs tors. theta energy: -85.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1136.269046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.269046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.269046 (E_RNA) where: Base-Base interactions energy: -798.577 where: short stacking energy: -337.439 Base-Backbone interact. energy: -0.510 local terms energy: -337.182262 where: bonds (distance) C4'-P energy: -69.546 bonds (distance) P-C4' energy: -65.095 flat angles C4'-P-C4' energy: -70.515 flat angles P-C4'-P energy: -44.570 tors. eta vs tors. theta energy: -87.457 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: 4 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1144.709020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.709020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.709020 (E_RNA) where: Base-Base interactions energy: -788.636 where: short stacking energy: -370.450 Base-Backbone interact. energy: -1.791 local terms energy: -354.282013 where: bonds (distance) C4'-P energy: -58.163 bonds (distance) P-C4' energy: -67.592 flat angles C4'-P-C4' energy: -80.423 flat angles P-C4'-P energy: -44.670 tors. eta vs tors. theta energy: -103.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1090.022674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.022674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.022674 (E_RNA) where: Base-Base interactions energy: -806.916 where: short stacking energy: -309.509 Base-Backbone interact. energy: -0.218 local terms energy: -282.888744 where: bonds (distance) C4'-P energy: -59.825 bonds (distance) P-C4' energy: -53.715 flat angles C4'-P-C4' energy: -65.106 flat angles P-C4'-P energy: -30.053 tors. eta vs tors. theta energy: -74.189 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: 5 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1077.152176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.152176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.152176 (E_RNA) where: Base-Base interactions energy: -768.139 where: short stacking energy: -324.678 Base-Backbone interact. energy: -0.149 local terms energy: -308.864329 where: bonds (distance) C4'-P energy: -54.899 bonds (distance) P-C4' energy: -61.185 flat angles C4'-P-C4' energy: -70.812 flat angles P-C4'-P energy: -38.123 tors. eta vs tors. theta energy: -83.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -931.775793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.775793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.775793 (E_RNA) where: Base-Base interactions energy: -661.107 where: short stacking energy: -268.959 Base-Backbone interact. energy: -2.959 local terms energy: -267.709663 where: bonds (distance) C4'-P energy: -54.204 bonds (distance) P-C4' energy: -57.488 flat angles C4'-P-C4' energy: -54.836 flat angles P-C4'-P energy: -36.229 tors. eta vs tors. theta energy: -64.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -873.559837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.559837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.559837 (E_RNA) where: Base-Base interactions energy: -616.633 where: short stacking energy: -263.950 Base-Backbone interact. energy: -0.346 local terms energy: -256.580755 where: bonds (distance) C4'-P energy: -54.414 bonds (distance) P-C4' energy: -42.228 flat angles C4'-P-C4' energy: -55.189 flat angles P-C4'-P energy: -40.344 tors. eta vs tors. theta energy: -64.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -807.192688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.192688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.192688 (E_RNA) where: Base-Base interactions energy: -558.033 where: short stacking energy: -230.334 Base-Backbone interact. energy: 3.097 local terms energy: -252.256354 where: bonds (distance) C4'-P energy: -50.015 bonds (distance) P-C4' energy: -62.190 flat angles C4'-P-C4' energy: -62.668 flat angles P-C4'-P energy: -35.373 tors. eta vs tors. theta energy: -42.011 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: 2 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -651.006965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.006965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.006965 (E_RNA) where: Base-Base interactions energy: -424.949 where: short stacking energy: -181.435 Base-Backbone interact. energy: 0.774 local terms energy: -226.832672 where: bonds (distance) C4'-P energy: -61.667 bonds (distance) P-C4' energy: -50.394 flat angles C4'-P-C4' energy: -45.882 flat angles P-C4'-P energy: -32.170 tors. eta vs tors. theta energy: -36.720 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: 452 Temperature: 1.350000 Total energy: -596.597989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.597989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.597989 (E_RNA) where: Base-Base interactions energy: -374.884 where: short stacking energy: -180.716 Base-Backbone interact. energy: 2.386 local terms energy: -224.100663 where: bonds (distance) C4'-P energy: -51.329 bonds (distance) P-C4' energy: -63.759 flat angles C4'-P-C4' energy: -46.824 flat angles P-C4'-P energy: -21.573 tors. eta vs tors. theta energy: -40.615 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: 1, replica: 10 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1189.172886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.172886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.172886 (E_RNA) where: Base-Base interactions energy: -846.229 where: short stacking energy: -356.537 Base-Backbone interact. energy: -3.316 local terms energy: -339.628676 where: bonds (distance) C4'-P energy: -59.172 bonds (distance) P-C4' energy: -66.047 flat angles C4'-P-C4' energy: -77.088 flat angles P-C4'-P energy: -44.179 tors. eta vs tors. theta energy: -93.143 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: 9 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1130.479208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.479208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.479208 (E_RNA) where: Base-Base interactions energy: -810.047 where: short stacking energy: -348.059 Base-Backbone interact. energy: 0.407 local terms energy: -320.838729 where: bonds (distance) C4'-P energy: -52.455 bonds (distance) P-C4' energy: -65.771 flat angles C4'-P-C4' energy: -66.098 flat angles P-C4'-P energy: -43.803 tors. eta vs tors. theta energy: -92.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1136.802392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.802392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.802392 (E_RNA) where: Base-Base interactions energy: -784.815 where: short stacking energy: -351.037 Base-Backbone interact. energy: -1.400 local terms energy: -350.586851 where: bonds (distance) C4'-P energy: -53.951 bonds (distance) P-C4' energy: -57.459 flat angles C4'-P-C4' energy: -75.315 flat angles P-C4'-P energy: -54.978 tors. eta vs tors. theta energy: -108.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1101.803253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.803253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.803253 (E_RNA) where: Base-Base interactions energy: -771.353 where: short stacking energy: -330.076 Base-Backbone interact. energy: 0.401 local terms energy: -330.851271 where: bonds (distance) C4'-P energy: -49.691 bonds (distance) P-C4' energy: -63.553 flat angles C4'-P-C4' energy: -76.870 flat angles P-C4'-P energy: -51.452 tors. eta vs tors. theta energy: -89.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1037.099395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.099395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.099395 (E_RNA) where: Base-Base interactions energy: -751.431 where: short stacking energy: -297.842 Base-Backbone interact. energy: -1.402 local terms energy: -284.266025 where: bonds (distance) C4'-P energy: -48.760 bonds (distance) P-C4' energy: -66.374 flat angles C4'-P-C4' energy: -62.361 flat angles P-C4'-P energy: -32.883 tors. eta vs tors. theta energy: -73.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -952.692390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.692390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.692390 (E_RNA) where: Base-Base interactions energy: -666.216 where: short stacking energy: -267.869 Base-Backbone interact. energy: 0.920 local terms energy: -287.396865 where: bonds (distance) C4'-P energy: -54.391 bonds (distance) P-C4' energy: -52.920 flat angles C4'-P-C4' energy: -67.846 flat angles P-C4'-P energy: -39.160 tors. eta vs tors. theta energy: -73.080 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: 7 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -924.949364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.949364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.949364 (E_RNA) where: Base-Base interactions energy: -654.992 where: short stacking energy: -280.025 Base-Backbone interact. energy: 0.711 local terms energy: -270.668266 where: bonds (distance) C4'-P energy: -60.514 bonds (distance) P-C4' energy: -55.247 flat angles C4'-P-C4' energy: -54.437 flat angles P-C4'-P energy: -40.058 tors. eta vs tors. theta energy: -60.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -812.801613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.801613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.801613 (E_RNA) where: Base-Base interactions energy: -556.694 where: short stacking energy: -218.119 Base-Backbone interact. energy: -0.173 local terms energy: -255.934991 where: bonds (distance) C4'-P energy: -60.816 bonds (distance) P-C4' energy: -42.834 flat angles C4'-P-C4' energy: -65.154 flat angles P-C4'-P energy: -27.758 tors. eta vs tors. theta energy: -59.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -649.576479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.576479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.576479 (E_RNA) where: Base-Base interactions energy: -405.856 where: short stacking energy: -200.115 Base-Backbone interact. energy: -0.664 local terms energy: -243.056597 where: bonds (distance) C4'-P energy: -47.669 bonds (distance) P-C4' energy: -63.720 flat angles C4'-P-C4' energy: -49.989 flat angles P-C4'-P energy: -40.416 tors. eta vs tors. theta energy: -41.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -624.475896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.475896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.475896 (E_RNA) where: Base-Base interactions energy: -423.902 where: short stacking energy: -187.839 Base-Backbone interact. energy: 0.412 local terms energy: -200.985650 where: bonds (distance) C4'-P energy: -32.571 bonds (distance) P-C4' energy: -49.974 flat angles C4'-P-C4' energy: -51.688 flat angles P-C4'-P energy: -27.611 tors. eta vs tors. theta energy: -39.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1179.757674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.757674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.757674 (E_RNA) where: Base-Base interactions energy: -837.173 where: short stacking energy: -364.986 Base-Backbone interact. energy: -1.714 local terms energy: -340.870509 where: bonds (distance) C4'-P energy: -66.579 bonds (distance) P-C4' energy: -59.497 flat angles C4'-P-C4' energy: -66.973 flat angles P-C4'-P energy: -52.108 tors. eta vs tors. theta energy: -95.713 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: 9 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1141.786096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.786096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.786096 (E_RNA) where: Base-Base interactions energy: -822.306 where: short stacking energy: -345.414 Base-Backbone interact. energy: -0.583 local terms energy: -318.896638 where: bonds (distance) C4'-P energy: -55.129 bonds (distance) P-C4' energy: -64.201 flat angles C4'-P-C4' energy: -70.981 flat angles P-C4'-P energy: -41.071 tors. eta vs tors. theta energy: -87.515 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: 454 Temperature: 1.000000 Total energy: -1119.378246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.378246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.378246 (E_RNA) where: Base-Base interactions energy: -778.094 where: short stacking energy: -354.062 Base-Backbone interact. energy: -1.087 local terms energy: -340.197620 where: bonds (distance) C4'-P energy: -58.295 bonds (distance) P-C4' energy: -62.391 flat angles C4'-P-C4' energy: -69.054 flat angles P-C4'-P energy: -51.808 tors. eta vs tors. theta energy: -98.649 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: 5 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1079.805493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.805493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.805493 (E_RNA) where: Base-Base interactions energy: -764.119 where: short stacking energy: -337.181 Base-Backbone interact. energy: -1.900 local terms energy: -313.786049 where: bonds (distance) C4'-P energy: -49.734 bonds (distance) P-C4' energy: -62.816 flat angles C4'-P-C4' energy: -66.373 flat angles P-C4'-P energy: -46.200 tors. eta vs tors. theta energy: -88.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1047.368481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.368481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.368481 (E_RNA) where: Base-Base interactions energy: -724.551 where: short stacking energy: -315.705 Base-Backbone interact. energy: -0.955 local terms energy: -321.863206 where: bonds (distance) C4'-P energy: -55.513 bonds (distance) P-C4' energy: -65.943 flat angles C4'-P-C4' energy: -59.537 flat angles P-C4'-P energy: -51.427 tors. eta vs tors. theta energy: -89.444 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: 8 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -989.607261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.607261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.607261 (E_RNA) where: Base-Base interactions energy: -686.958 where: short stacking energy: -273.178 Base-Backbone interact. energy: -0.423 local terms energy: -302.226907 where: bonds (distance) C4'-P energy: -50.790 bonds (distance) P-C4' energy: -65.988 flat angles C4'-P-C4' energy: -64.467 flat angles P-C4'-P energy: -51.514 tors. eta vs tors. theta energy: -69.468 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: 7 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -893.390146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.390146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.390146 (E_RNA) where: Base-Base interactions energy: -602.927 where: short stacking energy: -261.937 Base-Backbone interact. energy: -2.006 local terms energy: -288.456830 where: bonds (distance) C4'-P energy: -59.312 bonds (distance) P-C4' energy: -65.413 flat angles C4'-P-C4' energy: -55.801 flat angles P-C4'-P energy: -40.862 tors. eta vs tors. theta energy: -67.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -828.587902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.587902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.587902 (E_RNA) where: Base-Base interactions energy: -580.600 where: short stacking energy: -228.253 Base-Backbone interact. energy: -1.700 local terms energy: -246.287936 where: bonds (distance) C4'-P energy: -60.889 bonds (distance) P-C4' energy: -58.888 flat angles C4'-P-C4' energy: -57.208 flat angles P-C4'-P energy: -24.609 tors. eta vs tors. theta energy: -44.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -732.179322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.179322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.179322 (E_RNA) where: Base-Base interactions energy: -475.350 where: short stacking energy: -190.494 Base-Backbone interact. energy: 0.173 local terms energy: -257.003156 where: bonds (distance) C4'-P energy: -56.506 bonds (distance) P-C4' energy: -60.581 flat angles C4'-P-C4' energy: -60.411 flat angles P-C4'-P energy: -27.389 tors. eta vs tors. theta energy: -52.115 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: 2 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -614.028415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.028415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.028415 (E_RNA) where: Base-Base interactions energy: -382.349 where: short stacking energy: -162.434 Base-Backbone interact. energy: 0.330 local terms energy: -232.009146 where: bonds (distance) C4'-P energy: -53.176 bonds (distance) P-C4' energy: -56.275 flat angles C4'-P-C4' energy: -57.233 flat angles P-C4'-P energy: -35.047 tors. eta vs tors. theta energy: -30.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1187.980622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.980622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.980622 (E_RNA) where: Base-Base interactions energy: -830.688 where: short stacking energy: -367.381 Base-Backbone interact. energy: -4.201 local terms energy: -353.091509 where: bonds (distance) C4'-P energy: -61.471 bonds (distance) P-C4' energy: -69.833 flat angles C4'-P-C4' energy: -74.124 flat angles P-C4'-P energy: -52.703 tors. eta vs tors. theta energy: -94.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1151.293525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.293525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.293525 (E_RNA) where: Base-Base interactions energy: -819.678 where: short stacking energy: -341.128 Base-Backbone interact. energy: -0.923 local terms energy: -330.693228 where: bonds (distance) C4'-P energy: -69.765 bonds (distance) P-C4' energy: -57.736 flat angles C4'-P-C4' energy: -65.240 flat angles P-C4'-P energy: -56.030 tors. eta vs tors. theta energy: -81.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1150.107724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.107724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.107724 (E_RNA) where: Base-Base interactions energy: -801.416 where: short stacking energy: -352.654 Base-Backbone interact. energy: 1.733 local terms energy: -350.424671 where: bonds (distance) C4'-P energy: -62.114 bonds (distance) P-C4' energy: -60.535 flat angles C4'-P-C4' energy: -74.088 flat angles P-C4'-P energy: -48.214 tors. eta vs tors. theta energy: -105.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1079.369085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.369085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.369085 (E_RNA) where: Base-Base interactions energy: -761.825 where: short stacking energy: -323.017 Base-Backbone interact. energy: -1.820 local terms energy: -315.723728 where: bonds (distance) C4'-P energy: -59.673 bonds (distance) P-C4' energy: -54.442 flat angles C4'-P-C4' energy: -73.487 flat angles P-C4'-P energy: -45.893 tors. eta vs tors. theta energy: -82.229 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: 1 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1074.649036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.649036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.649036 (E_RNA) where: Base-Base interactions energy: -751.402 where: short stacking energy: -305.338 Base-Backbone interact. energy: -0.217 local terms energy: -323.030243 where: bonds (distance) C4'-P energy: -55.130 bonds (distance) P-C4' energy: -62.494 flat angles C4'-P-C4' energy: -72.532 flat angles P-C4'-P energy: -50.590 tors. eta vs tors. theta energy: -82.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -953.770350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.770350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.770350 (E_RNA) where: Base-Base interactions energy: -670.433 where: short stacking energy: -274.994 Base-Backbone interact. energy: -0.968 local terms energy: -282.369391 where: bonds (distance) C4'-P energy: -53.927 bonds (distance) P-C4' energy: -59.244 flat angles C4'-P-C4' energy: -60.694 flat angles P-C4'-P energy: -37.021 tors. eta vs tors. theta energy: -71.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -903.485523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.485523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.485523 (E_RNA) where: Base-Base interactions energy: -653.048 where: short stacking energy: -274.316 Base-Backbone interact. energy: -0.462 local terms energy: -249.975789 where: bonds (distance) C4'-P energy: -47.758 bonds (distance) P-C4' energy: -53.487 flat angles C4'-P-C4' energy: -51.150 flat angles P-C4'-P energy: -26.757 tors. eta vs tors. theta energy: -70.823 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: 6 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -871.799774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.799774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.799774 (E_RNA) where: Base-Base interactions energy: -606.150 where: short stacking energy: -240.856 Base-Backbone interact. energy: -0.474 local terms energy: -265.176103 where: bonds (distance) C4'-P energy: -54.220 bonds (distance) P-C4' energy: -57.765 flat angles C4'-P-C4' energy: -62.089 flat angles P-C4'-P energy: -40.199 tors. eta vs tors. theta energy: -50.904 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: 455 Temperature: 1.300000 Total energy: -711.514727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.514727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.514727 (E_RNA) where: Base-Base interactions energy: -468.474 where: short stacking energy: -198.918 Base-Backbone interact. energy: 0.031 local terms energy: -243.072412 where: bonds (distance) C4'-P energy: -47.458 bonds (distance) P-C4' energy: -66.702 flat angles C4'-P-C4' energy: -56.633 flat angles P-C4'-P energy: -37.811 tors. eta vs tors. theta energy: -34.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -613.466408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.466408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.466408 (E_RNA) where: Base-Base interactions energy: -382.362 where: short stacking energy: -177.628 Base-Backbone interact. energy: -1.400 local terms energy: -229.704691 where: bonds (distance) C4'-P energy: -48.436 bonds (distance) P-C4' energy: -56.611 flat angles C4'-P-C4' energy: -59.407 flat angles P-C4'-P energy: -28.720 tors. eta vs tors. theta energy: -36.530 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: 10 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1189.773998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.773998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.773998 (E_RNA) where: Base-Base interactions energy: -845.979 where: short stacking energy: -350.771 Base-Backbone interact. energy: -2.745 local terms energy: -341.050560 where: bonds (distance) C4'-P energy: -63.571 bonds (distance) P-C4' energy: -61.014 flat angles C4'-P-C4' energy: -75.496 flat angles P-C4'-P energy: -48.216 tors. eta vs tors. theta energy: -92.753 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: 9 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1151.126432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.126432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.126432 (E_RNA) where: Base-Base interactions energy: -812.536 where: short stacking energy: -336.275 Base-Backbone interact. energy: -0.173 local terms energy: -338.417323 where: bonds (distance) C4'-P energy: -69.661 bonds (distance) P-C4' energy: -60.549 flat angles C4'-P-C4' energy: -71.655 flat angles P-C4'-P energy: -50.119 tors. eta vs tors. theta energy: -86.433 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: 456 Temperature: 1.000000 Total energy: -1131.163857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.163857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.163857 (E_RNA) where: Base-Base interactions energy: -797.425 where: short stacking energy: -344.975 Base-Backbone interact. energy: -2.246 local terms energy: -331.493300 where: bonds (distance) C4'-P energy: -56.084 bonds (distance) P-C4' energy: -65.985 flat angles C4'-P-C4' energy: -66.075 flat angles P-C4'-P energy: -47.682 tors. eta vs tors. theta energy: -95.667 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: 4, replica: 5 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1087.258645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.258645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.258645 (E_RNA) where: Base-Base interactions energy: -768.223 where: short stacking energy: -320.101 Base-Backbone interact. energy: -2.254 local terms energy: -316.781284 where: bonds (distance) C4'-P energy: -55.363 bonds (distance) P-C4' energy: -44.858 flat angles C4'-P-C4' energy: -70.965 flat angles P-C4'-P energy: -52.775 tors. eta vs tors. theta energy: -92.820 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: 1 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1056.855809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.855809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.855809 (E_RNA) where: Base-Base interactions energy: -769.504 where: short stacking energy: -301.340 Base-Backbone interact. energy: -1.707 local terms energy: -285.644933 where: bonds (distance) C4'-P energy: -48.069 bonds (distance) P-C4' energy: -50.348 flat angles C4'-P-C4' energy: -72.617 flat angles P-C4'-P energy: -37.673 tors. eta vs tors. theta energy: -76.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -927.517109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.517109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.517109 (E_RNA) where: Base-Base interactions energy: -651.979 where: short stacking energy: -272.257 Base-Backbone interact. energy: 1.404 local terms energy: -276.941973 where: bonds (distance) C4'-P energy: -58.165 bonds (distance) P-C4' energy: -46.239 flat angles C4'-P-C4' energy: -60.836 flat angles P-C4'-P energy: -38.590 tors. eta vs tors. theta energy: -73.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -915.049467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.049467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.049467 (E_RNA) where: Base-Base interactions energy: -635.192 where: short stacking energy: -264.393 Base-Backbone interact. energy: -2.937 local terms energy: -276.919563 where: bonds (distance) C4'-P energy: -52.573 bonds (distance) P-C4' energy: -55.429 flat angles C4'-P-C4' energy: -59.077 flat angles P-C4'-P energy: -38.168 tors. eta vs tors. theta energy: -71.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -912.261413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.261413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.261413 (E_RNA) where: Base-Base interactions energy: -621.383 where: short stacking energy: -278.331 Base-Backbone interact. energy: -2.982 local terms energy: -287.896472 where: bonds (distance) C4'-P energy: -56.873 bonds (distance) P-C4' energy: -55.019 flat angles C4'-P-C4' energy: -53.875 flat angles P-C4'-P energy: -40.748 tors. eta vs tors. theta energy: -81.383 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: 456 Temperature: 1.300000 Total energy: -734.284214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.284214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.284214 (E_RNA) where: Base-Base interactions energy: -487.959 where: short stacking energy: -210.318 Base-Backbone interact. energy: -1.141 local terms energy: -245.184854 where: bonds (distance) C4'-P energy: -44.052 bonds (distance) P-C4' energy: -62.051 flat angles C4'-P-C4' energy: -59.253 flat angles P-C4'-P energy: -42.235 tors. eta vs tors. theta energy: -37.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -622.776055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.776055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.776055 (E_RNA) where: Base-Base interactions energy: -400.048 where: short stacking energy: -179.826 Base-Backbone interact. energy: 0.042 local terms energy: -222.769609 where: bonds (distance) C4'-P energy: -48.726 bonds (distance) P-C4' energy: -59.067 flat angles C4'-P-C4' energy: -64.223 flat angles P-C4'-P energy: -21.736 tors. eta vs tors. theta energy: -29.018 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: 1, replica: 10 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1194.285166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.285166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.285166 (E_RNA) where: Base-Base interactions energy: -859.050 where: short stacking energy: -362.578 Base-Backbone interact. energy: 1.905 local terms energy: -337.139753 where: bonds (distance) C4'-P energy: -70.278 bonds (distance) P-C4' energy: -69.872 flat angles C4'-P-C4' energy: -67.328 flat angles P-C4'-P energy: -38.692 tors. eta vs tors. theta energy: -90.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1136.048780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.048780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.048780 (E_RNA) where: Base-Base interactions energy: -782.752 where: short stacking energy: -341.498 Base-Backbone interact. energy: -0.137 local terms energy: -353.159303 where: bonds (distance) C4'-P energy: -68.739 bonds (distance) P-C4' energy: -66.587 flat angles C4'-P-C4' energy: -68.332 flat angles P-C4'-P energy: -52.442 tors. eta vs tors. theta energy: -97.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1097.946094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.946094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.946094 (E_RNA) where: Base-Base interactions energy: -765.002 where: short stacking energy: -322.577 Base-Backbone interact. energy: -1.376 local terms energy: -331.567777 where: bonds (distance) C4'-P energy: -62.089 bonds (distance) P-C4' energy: -62.035 flat angles C4'-P-C4' energy: -75.094 flat angles P-C4'-P energy: -42.878 tors. eta vs tors. theta energy: -89.472 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: 5 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1090.253058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.253058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.253058 (E_RNA) where: Base-Base interactions energy: -773.654 where: short stacking energy: -318.198 Base-Backbone interact. energy: -0.691 local terms energy: -315.907390 where: bonds (distance) C4'-P energy: -57.003 bonds (distance) P-C4' energy: -56.320 flat angles C4'-P-C4' energy: -73.583 flat angles P-C4'-P energy: -42.004 tors. eta vs tors. theta energy: -86.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1053.438535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.438535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.438535 (E_RNA) where: Base-Base interactions energy: -751.731 where: short stacking energy: -298.014 Base-Backbone interact. energy: -3.433 local terms energy: -298.274418 where: bonds (distance) C4'-P energy: -52.938 bonds (distance) P-C4' energy: -66.581 flat angles C4'-P-C4' energy: -66.568 flat angles P-C4'-P energy: -35.860 tors. eta vs tors. theta energy: -76.327 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: 6 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -919.234190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.234190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.234190 (E_RNA) where: Base-Base interactions energy: -633.010 where: short stacking energy: -252.253 Base-Backbone interact. energy: 3.469 local terms energy: -289.693478 where: bonds (distance) C4'-P energy: -66.247 bonds (distance) P-C4' energy: -58.018 flat angles C4'-P-C4' energy: -63.275 flat angles P-C4'-P energy: -36.990 tors. eta vs tors. theta energy: -65.164 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: 457 Temperature: 1.200000 Total energy: -896.357115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.357115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.357115 (E_RNA) where: Base-Base interactions energy: -629.935 where: short stacking energy: -264.862 Base-Backbone interact. energy: -0.941 local terms energy: -265.481080 where: bonds (distance) C4'-P energy: -52.044 bonds (distance) P-C4' energy: -67.968 flat angles C4'-P-C4' energy: -55.659 flat angles P-C4'-P energy: -31.347 tors. eta vs tors. theta energy: -58.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -908.986228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.986228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.986228 (E_RNA) where: Base-Base interactions energy: -626.926 where: short stacking energy: -279.430 Base-Backbone interact. energy: -1.644 local terms energy: -280.416181 where: bonds (distance) C4'-P energy: -52.017 bonds (distance) P-C4' energy: -62.262 flat angles C4'-P-C4' energy: -58.705 flat angles P-C4'-P energy: -34.189 tors. eta vs tors. theta energy: -73.243 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: 457 Temperature: 1.300000 Total energy: -733.800491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.800491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.800491 (E_RNA) where: Base-Base interactions energy: -488.722 where: short stacking energy: -208.648 Base-Backbone interact. energy: -2.088 local terms energy: -242.989910 where: bonds (distance) C4'-P energy: -43.160 bonds (distance) P-C4' energy: -56.512 flat angles C4'-P-C4' energy: -55.727 flat angles P-C4'-P energy: -42.469 tors. eta vs tors. theta energy: -45.122 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: 2 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -607.376381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.376381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.376381 (E_RNA) where: Base-Base interactions energy: -387.038 where: short stacking energy: -188.036 Base-Backbone interact. energy: 0.476 local terms energy: -220.814905 where: bonds (distance) C4'-P energy: -49.963 bonds (distance) P-C4' energy: -59.556 flat angles C4'-P-C4' energy: -47.654 flat angles P-C4'-P energy: -24.607 tors. eta vs tors. theta energy: -39.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1182.535131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.535131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.535131 (E_RNA) where: Base-Base interactions energy: -846.324 where: short stacking energy: -354.847 Base-Backbone interact. energy: -1.732 local terms energy: -334.478351 where: bonds (distance) C4'-P energy: -68.557 bonds (distance) P-C4' energy: -66.751 flat angles C4'-P-C4' energy: -73.799 flat angles P-C4'-P energy: -39.724 tors. eta vs tors. theta energy: -85.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1157.271217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.271217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.271217 (E_RNA) where: Base-Base interactions energy: -809.483 where: short stacking energy: -354.109 Base-Backbone interact. energy: -2.090 local terms energy: -345.698260 where: bonds (distance) C4'-P energy: -56.420 bonds (distance) P-C4' energy: -65.381 flat angles C4'-P-C4' energy: -74.080 flat angles P-C4'-P energy: -45.857 tors. eta vs tors. theta energy: -103.959 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: 5 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1105.767252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.767252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.767252 (E_RNA) where: Base-Base interactions energy: -778.872 where: short stacking energy: -336.904 Base-Backbone interact. energy: -3.717 local terms energy: -323.177982 where: bonds (distance) C4'-P energy: -57.773 bonds (distance) P-C4' energy: -61.522 flat angles C4'-P-C4' energy: -67.318 flat angles P-C4'-P energy: -44.686 tors. eta vs tors. theta energy: -91.880 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: 9 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1099.429458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.429458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.429458 (E_RNA) where: Base-Base interactions energy: -786.336 where: short stacking energy: -332.526 Base-Backbone interact. energy: -0.258 local terms energy: -312.835409 where: bonds (distance) C4'-P energy: -55.296 bonds (distance) P-C4' energy: -62.665 flat angles C4'-P-C4' energy: -70.643 flat angles P-C4'-P energy: -36.330 tors. eta vs tors. theta energy: -87.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1055.660575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.660575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.660575 (E_RNA) where: Base-Base interactions energy: -740.635 where: short stacking energy: -284.173 Base-Backbone interact. energy: -0.657 local terms energy: -314.368076 where: bonds (distance) C4'-P energy: -59.284 bonds (distance) P-C4' energy: -62.584 flat angles C4'-P-C4' energy: -67.414 flat angles P-C4'-P energy: -48.643 tors. eta vs tors. theta energy: -76.444 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: 6 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -947.008454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.008454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.008454 (E_RNA) where: Base-Base interactions energy: -662.150 where: short stacking energy: -285.469 Base-Backbone interact. energy: 0.172 local terms energy: -285.030268 where: bonds (distance) C4'-P energy: -53.575 bonds (distance) P-C4' energy: -69.027 flat angles C4'-P-C4' energy: -63.708 flat angles P-C4'-P energy: -34.171 tors. eta vs tors. theta energy: -64.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -901.404805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.404805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.404805 (E_RNA) where: Base-Base interactions energy: -634.815 where: short stacking energy: -281.444 Base-Backbone interact. energy: -0.820 local terms energy: -265.770179 where: bonds (distance) C4'-P energy: -65.108 bonds (distance) P-C4' energy: -49.670 flat angles C4'-P-C4' energy: -58.278 flat angles P-C4'-P energy: -23.521 tors. eta vs tors. theta energy: -69.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -861.753564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.753564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.753564 (E_RNA) where: Base-Base interactions energy: -592.817 where: short stacking energy: -253.573 Base-Backbone interact. energy: 0.016 local terms energy: -268.952344 where: bonds (distance) C4'-P energy: -47.566 bonds (distance) P-C4' energy: -59.869 flat angles C4'-P-C4' energy: -60.193 flat angles P-C4'-P energy: -35.159 tors. eta vs tors. theta energy: -66.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -734.379262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.379262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.379262 (E_RNA) where: Base-Base interactions energy: -492.816 where: short stacking energy: -206.246 Base-Backbone interact. energy: -3.347 local terms energy: -238.216834 where: bonds (distance) C4'-P energy: -43.503 bonds (distance) P-C4' energy: -56.876 flat angles C4'-P-C4' energy: -66.589 flat angles P-C4'-P energy: -29.797 tors. eta vs tors. theta energy: -41.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -600.753426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.753426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.753426 (E_RNA) where: Base-Base interactions energy: -394.126 where: short stacking energy: -148.663 Base-Backbone interact. energy: 2.023 local terms energy: -208.651186 where: bonds (distance) C4'-P energy: -58.274 bonds (distance) P-C4' energy: -44.530 flat angles C4'-P-C4' energy: -45.993 flat angles P-C4'-P energy: -32.275 tors. eta vs tors. theta energy: -27.579 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: 10 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1191.367965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.367965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.367965 (E_RNA) where: Base-Base interactions energy: -840.505 where: short stacking energy: -347.190 Base-Backbone interact. energy: 1.428 local terms energy: -352.291658 where: bonds (distance) C4'-P energy: -65.941 bonds (distance) P-C4' energy: -62.340 flat angles C4'-P-C4' energy: -77.088 flat angles P-C4'-P energy: -51.589 tors. eta vs tors. theta energy: -95.333 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: 4 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1160.720403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.720403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.720403 (E_RNA) where: Base-Base interactions energy: -803.490 where: short stacking energy: -354.603 Base-Backbone interact. energy: -1.161 local terms energy: -356.068940 where: bonds (distance) C4'-P energy: -68.046 bonds (distance) P-C4' energy: -60.198 flat angles C4'-P-C4' energy: -70.355 flat angles P-C4'-P energy: -54.589 tors. eta vs tors. theta energy: -102.880 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: 5 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1108.438659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.438659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.438659 (E_RNA) where: Base-Base interactions energy: -780.164 where: short stacking energy: -326.652 Base-Backbone interact. energy: -1.392 local terms energy: -326.883268 where: bonds (distance) C4'-P energy: -65.142 bonds (distance) P-C4' energy: -56.004 flat angles C4'-P-C4' energy: -74.875 flat angles P-C4'-P energy: -40.147 tors. eta vs tors. theta energy: -90.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1103.258605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.258605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.258605 (E_RNA) where: Base-Base interactions energy: -768.551 where: short stacking energy: -323.828 Base-Backbone interact. energy: -1.144 local terms energy: -333.563667 where: bonds (distance) C4'-P energy: -59.899 bonds (distance) P-C4' energy: -72.864 flat angles C4'-P-C4' energy: -70.095 flat angles P-C4'-P energy: -41.572 tors. eta vs tors. theta energy: -89.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1082.947851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.947851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.947851 (E_RNA) where: Base-Base interactions energy: -771.322 where: short stacking energy: -319.031 Base-Backbone interact. energy: 1.445 local terms energy: -313.071024 where: bonds (distance) C4'-P energy: -50.783 bonds (distance) P-C4' energy: -61.380 flat angles C4'-P-C4' energy: -73.971 flat angles P-C4'-P energy: -38.871 tors. eta vs tors. theta energy: -88.066 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: 6 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -928.614095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.614095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.614095 (E_RNA) where: Base-Base interactions energy: -655.364 where: short stacking energy: -275.932 Base-Backbone interact. energy: -0.733 local terms energy: -272.516263 where: bonds (distance) C4'-P energy: -60.526 bonds (distance) P-C4' energy: -56.706 flat angles C4'-P-C4' energy: -55.455 flat angles P-C4'-P energy: -38.878 tors. eta vs tors. theta energy: -60.950 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: 7 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -867.784982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.784982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.784982 (E_RNA) where: Base-Base interactions energy: -596.494 where: short stacking energy: -265.946 Base-Backbone interact. energy: -1.691 local terms energy: -269.599937 where: bonds (distance) C4'-P energy: -47.804 bonds (distance) P-C4' energy: -49.546 flat angles C4'-P-C4' energy: -55.639 flat angles P-C4'-P energy: -43.651 tors. eta vs tors. theta energy: -72.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -896.832710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.832710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.832710 (E_RNA) where: Base-Base interactions energy: -642.066 where: short stacking energy: -264.119 Base-Backbone interact. energy: 0.611 local terms energy: -255.377955 where: bonds (distance) C4'-P energy: -57.945 bonds (distance) P-C4' energy: -53.990 flat angles C4'-P-C4' energy: -51.470 flat angles P-C4'-P energy: -26.619 tors. eta vs tors. theta energy: -65.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -712.645059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.645059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.645059 (E_RNA) where: Base-Base interactions energy: -483.008 where: short stacking energy: -206.938 Base-Backbone interact. energy: -2.705 local terms energy: -226.931156 where: bonds (distance) C4'-P energy: -63.434 bonds (distance) P-C4' energy: -49.659 flat angles C4'-P-C4' energy: -47.000 flat angles P-C4'-P energy: -23.285 tors. eta vs tors. theta energy: -43.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -605.329675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.329675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.329675 (E_RNA) where: Base-Base interactions energy: -391.611 where: short stacking energy: -175.595 Base-Backbone interact. energy: -1.422 local terms energy: -212.296407 where: bonds (distance) C4'-P energy: -47.525 bonds (distance) P-C4' energy: -46.442 flat angles C4'-P-C4' energy: -53.243 flat angles P-C4'-P energy: -31.306 tors. eta vs tors. theta energy: -33.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1202.121246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.121246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.121246 (E_RNA) where: Base-Base interactions energy: -863.812 where: short stacking energy: -353.670 Base-Backbone interact. energy: 2.346 local terms energy: -340.655058 where: bonds (distance) C4'-P energy: -64.720 bonds (distance) P-C4' energy: -68.758 flat angles C4'-P-C4' energy: -65.165 flat angles P-C4'-P energy: -47.906 tors. eta vs tors. theta energy: -94.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1183.875475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.875475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.875475 (E_RNA) where: Base-Base interactions energy: -833.808 where: short stacking energy: -370.856 Base-Backbone interact. energy: -1.090 local terms energy: -348.977955 where: bonds (distance) C4'-P energy: -54.141 bonds (distance) P-C4' energy: -69.045 flat angles C4'-P-C4' energy: -69.852 flat angles P-C4'-P energy: -49.911 tors. eta vs tors. theta energy: -106.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1097.247070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.247070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.247070 (E_RNA) where: Base-Base interactions energy: -771.822 where: short stacking energy: -316.147 Base-Backbone interact. energy: -2.102 local terms energy: -323.323515 where: bonds (distance) C4'-P energy: -61.410 bonds (distance) P-C4' energy: -59.230 flat angles C4'-P-C4' energy: -64.140 flat angles P-C4'-P energy: -48.408 tors. eta vs tors. theta energy: -90.136 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: 4, replica: 5 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1077.076477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.076477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.076477 (E_RNA) where: Base-Base interactions energy: -747.314 where: short stacking energy: -326.177 Base-Backbone interact. energy: -1.602 local terms energy: -328.159983 where: bonds (distance) C4'-P energy: -60.917 bonds (distance) P-C4' energy: -56.061 flat angles C4'-P-C4' energy: -69.270 flat angles P-C4'-P energy: -51.479 tors. eta vs tors. theta energy: -90.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1040.717009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.717009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.717009 (E_RNA) where: Base-Base interactions energy: -730.056 where: short stacking energy: -280.905 Base-Backbone interact. energy: -1.129 local terms energy: -309.531859 where: bonds (distance) C4'-P energy: -64.198 bonds (distance) P-C4' energy: -58.490 flat angles C4'-P-C4' energy: -67.782 flat angles P-C4'-P energy: -46.329 tors. eta vs tors. theta energy: -72.733 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: 6 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -916.009165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.009165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.009165 (E_RNA) where: Base-Base interactions energy: -649.162 where: short stacking energy: -287.810 Base-Backbone interact. energy: 1.367 local terms energy: -268.214454 where: bonds (distance) C4'-P energy: -57.268 bonds (distance) P-C4' energy: -47.244 flat angles C4'-P-C4' energy: -61.155 flat angles P-C4'-P energy: -38.788 tors. eta vs tors. theta energy: -63.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -866.003942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.003942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.003942 (E_RNA) where: Base-Base interactions energy: -587.269 where: short stacking energy: -250.666 Base-Backbone interact. energy: -1.098 local terms energy: -277.636520 where: bonds (distance) C4'-P energy: -52.943 bonds (distance) P-C4' energy: -53.738 flat angles C4'-P-C4' energy: -66.227 flat angles P-C4'-P energy: -41.914 tors. eta vs tors. theta energy: -62.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -890.597470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.597470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.597470 (E_RNA) where: Base-Base interactions energy: -601.090 where: short stacking energy: -261.246 Base-Backbone interact. energy: 0.987 local terms energy: -290.494578 where: bonds (distance) C4'-P energy: -57.321 bonds (distance) P-C4' energy: -62.742 flat angles C4'-P-C4' energy: -61.755 flat angles P-C4'-P energy: -40.116 tors. eta vs tors. theta energy: -68.559 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: 460 Temperature: 1.300000 Total energy: -690.272592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.272592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.272592 (E_RNA) where: Base-Base interactions energy: -450.054 where: short stacking energy: -208.586 Base-Backbone interact. energy: 1.120 local terms energy: -241.338933 where: bonds (distance) C4'-P energy: -56.294 bonds (distance) P-C4' energy: -49.160 flat angles C4'-P-C4' energy: -60.277 flat angles P-C4'-P energy: -32.780 tors. eta vs tors. theta energy: -42.827 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: 2 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -617.287648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.287648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.287648 (E_RNA) where: Base-Base interactions energy: -399.738 where: short stacking energy: -171.784 Base-Backbone interact. energy: -2.434 local terms energy: -215.115011 where: bonds (distance) C4'-P energy: -51.163 bonds (distance) P-C4' energy: -54.397 flat angles C4'-P-C4' energy: -47.858 flat angles P-C4'-P energy: -28.166 tors. eta vs tors. theta energy: -33.531 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: 10 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1204.105884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.105884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.105884 (E_RNA) where: Base-Base interactions energy: -857.394 where: short stacking energy: -360.634 Base-Backbone interact. energy: 0.383 local terms energy: -347.095075 where: bonds (distance) C4'-P energy: -60.719 bonds (distance) P-C4' energy: -65.924 flat angles C4'-P-C4' energy: -73.464 flat angles P-C4'-P energy: -53.302 tors. eta vs tors. theta energy: -93.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1157.259922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.259922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.259922 (E_RNA) where: Base-Base interactions energy: -798.928 where: short stacking energy: -351.992 Base-Backbone interact. energy: -1.092 local terms energy: -357.239943 where: bonds (distance) C4'-P energy: -65.694 bonds (distance) P-C4' energy: -66.841 flat angles C4'-P-C4' energy: -70.942 flat angles P-C4'-P energy: -51.931 tors. eta vs tors. theta energy: -101.833 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: 9 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1097.470569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.470569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.470569 (E_RNA) where: Base-Base interactions energy: -781.514 where: short stacking energy: -330.340 Base-Backbone interact. energy: -0.520 local terms energy: -315.436457 where: bonds (distance) C4'-P energy: -64.754 bonds (distance) P-C4' energy: -59.985 flat angles C4'-P-C4' energy: -67.158 flat angles P-C4'-P energy: -43.797 tors. eta vs tors. theta energy: -79.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1075.699474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.699474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.699474 (E_RNA) where: Base-Base interactions energy: -764.692 where: short stacking energy: -331.712 Base-Backbone interact. energy: -1.089 local terms energy: -309.918719 where: bonds (distance) C4'-P energy: -56.297 bonds (distance) P-C4' energy: -64.292 flat angles C4'-P-C4' energy: -65.433 flat angles P-C4'-P energy: -39.756 tors. eta vs tors. theta energy: -84.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1011.492590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.492590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.492590 (E_RNA) where: Base-Base interactions energy: -732.020 where: short stacking energy: -281.611 Base-Backbone interact. energy: -2.509 local terms energy: -276.964009 where: bonds (distance) C4'-P energy: -52.840 bonds (distance) P-C4' energy: -56.381 flat angles C4'-P-C4' energy: -64.411 flat angles P-C4'-P energy: -37.403 tors. eta vs tors. theta energy: -65.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -903.706088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.706088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.706088 (E_RNA) where: Base-Base interactions energy: -618.376 where: short stacking energy: -245.796 Base-Backbone interact. energy: -0.572 local terms energy: -284.758798 where: bonds (distance) C4'-P energy: -61.534 bonds (distance) P-C4' energy: -64.631 flat angles C4'-P-C4' energy: -62.862 flat angles P-C4'-P energy: -43.738 tors. eta vs tors. theta energy: -51.994 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: 461 Temperature: 1.200000 Total energy: -907.954870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.954870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.954870 (E_RNA) where: Base-Base interactions energy: -612.660 where: short stacking energy: -278.201 Base-Backbone interact. energy: -1.107 local terms energy: -294.187677 where: bonds (distance) C4'-P energy: -55.406 bonds (distance) P-C4' energy: -50.903 flat angles C4'-P-C4' energy: -58.860 flat angles P-C4'-P energy: -44.795 tors. eta vs tors. theta energy: -84.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -864.681188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.681188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.681188 (E_RNA) where: Base-Base interactions energy: -603.633 where: short stacking energy: -251.921 Base-Backbone interact. energy: -0.246 local terms energy: -260.801947 where: bonds (distance) C4'-P energy: -61.444 bonds (distance) P-C4' energy: -52.078 flat angles C4'-P-C4' energy: -54.123 flat angles P-C4'-P energy: -39.395 tors. eta vs tors. theta energy: -53.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -659.607516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.607516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.607516 (E_RNA) where: Base-Base interactions energy: -450.210 where: short stacking energy: -187.109 Base-Backbone interact. energy: -0.343 local terms energy: -209.054016 where: bonds (distance) C4'-P energy: -48.667 bonds (distance) P-C4' energy: -59.698 flat angles C4'-P-C4' energy: -45.967 flat angles P-C4'-P energy: -24.367 tors. eta vs tors. theta energy: -30.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -613.603441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.603441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.603441 (E_RNA) where: Base-Base interactions energy: -387.936 where: short stacking energy: -167.462 Base-Backbone interact. energy: -0.749 local terms energy: -224.918756 where: bonds (distance) C4'-P energy: -63.953 bonds (distance) P-C4' energy: -51.200 flat angles C4'-P-C4' energy: -44.520 flat angles P-C4'-P energy: -30.963 tors. eta vs tors. theta energy: -34.282 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: 10 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1223.704924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.704924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.704924 (E_RNA) where: Base-Base interactions energy: -862.337 where: short stacking energy: -350.501 Base-Backbone interact. energy: -1.572 local terms energy: -359.795620 where: bonds (distance) C4'-P energy: -69.553 bonds (distance) P-C4' energy: -72.045 flat angles C4'-P-C4' energy: -73.132 flat angles P-C4'-P energy: -57.066 tors. eta vs tors. theta energy: -88.000 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: 4 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1151.225513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.225513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.225513 (E_RNA) where: Base-Base interactions energy: -794.509 where: short stacking energy: -341.267 Base-Backbone interact. energy: -0.375 local terms energy: -356.341420 where: bonds (distance) C4'-P energy: -60.638 bonds (distance) P-C4' energy: -66.685 flat angles C4'-P-C4' energy: -74.095 flat angles P-C4'-P energy: -54.112 tors. eta vs tors. theta energy: -100.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1114.250137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.250137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.250137 (E_RNA) where: Base-Base interactions energy: -794.847 where: short stacking energy: -324.406 Base-Backbone interact. energy: -1.535 local terms energy: -317.867666 where: bonds (distance) C4'-P energy: -54.246 bonds (distance) P-C4' energy: -62.645 flat angles C4'-P-C4' energy: -69.938 flat angles P-C4'-P energy: -45.852 tors. eta vs tors. theta energy: -85.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1058.355015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.355015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.355015 (E_RNA) where: Base-Base interactions energy: -755.168 where: short stacking energy: -329.019 Base-Backbone interact. energy: -0.588 local terms energy: -302.599044 where: bonds (distance) C4'-P energy: -62.242 bonds (distance) P-C4' energy: -55.838 flat angles C4'-P-C4' energy: -67.215 flat angles P-C4'-P energy: -29.882 tors. eta vs tors. theta energy: -87.421 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: 1 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1016.422897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.422897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.422897 (E_RNA) where: Base-Base interactions energy: -722.670 where: short stacking energy: -287.799 Base-Backbone interact. energy: -2.119 local terms energy: -291.633781 where: bonds (distance) C4'-P energy: -58.672 bonds (distance) P-C4' energy: -61.948 flat angles C4'-P-C4' energy: -58.895 flat angles P-C4'-P energy: -42.789 tors. eta vs tors. theta energy: -69.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -898.858742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.858742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.858742 (E_RNA) where: Base-Base interactions energy: -623.750 where: short stacking energy: -253.931 Base-Backbone interact. energy: -1.063 local terms energy: -274.046493 where: bonds (distance) C4'-P energy: -54.191 bonds (distance) P-C4' energy: -64.558 flat angles C4'-P-C4' energy: -60.525 flat angles P-C4'-P energy: -37.756 tors. eta vs tors. theta energy: -57.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -920.493836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.493836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.493836 (E_RNA) where: Base-Base interactions energy: -599.962 where: short stacking energy: -261.826 Base-Backbone interact. energy: -0.809 local terms energy: -319.722477 where: bonds (distance) C4'-P energy: -62.055 bonds (distance) P-C4' energy: -62.950 flat angles C4'-P-C4' energy: -66.264 flat angles P-C4'-P energy: -50.277 tors. eta vs tors. theta energy: -78.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -862.542607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.542607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.542607 (E_RNA) where: Base-Base interactions energy: -603.180 where: short stacking energy: -255.378 Base-Backbone interact. energy: 2.916 local terms energy: -262.277784 where: bonds (distance) C4'-P energy: -52.497 bonds (distance) P-C4' energy: -47.446 flat angles C4'-P-C4' energy: -68.681 flat angles P-C4'-P energy: -38.526 tors. eta vs tors. theta energy: -55.128 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: 2 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -584.856975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.856975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.856975 (E_RNA) where: Base-Base interactions energy: -365.650 where: short stacking energy: -163.759 Base-Backbone interact. energy: -0.883 local terms energy: -218.323878 where: bonds (distance) C4'-P energy: -37.613 bonds (distance) P-C4' energy: -53.317 flat angles C4'-P-C4' energy: -48.507 flat angles P-C4'-P energy: -46.375 tors. eta vs tors. theta energy: -32.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -647.580503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.580503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.580503 (E_RNA) where: Base-Base interactions energy: -445.931 where: short stacking energy: -200.602 Base-Backbone interact. energy: 0.242 local terms energy: -201.891755 where: bonds (distance) C4'-P energy: -41.869 bonds (distance) P-C4' energy: -44.644 flat angles C4'-P-C4' energy: -52.769 flat angles P-C4'-P energy: -31.387 tors. eta vs tors. theta energy: -31.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1193.755121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.755121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.755121 (E_RNA) where: Base-Base interactions energy: -841.179 where: short stacking energy: -326.874 Base-Backbone interact. energy: -3.557 local terms energy: -349.018919 where: bonds (distance) C4'-P energy: -71.169 bonds (distance) P-C4' energy: -62.704 flat angles C4'-P-C4' energy: -75.687 flat angles P-C4'-P energy: -49.314 tors. eta vs tors. theta energy: -90.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1135.859875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.859875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.859875 (E_RNA) where: Base-Base interactions energy: -808.791 where: short stacking energy: -348.140 Base-Backbone interact. energy: -1.025 local terms energy: -326.043619 where: bonds (distance) C4'-P energy: -60.267 bonds (distance) P-C4' energy: -55.691 flat angles C4'-P-C4' energy: -71.816 flat angles P-C4'-P energy: -48.215 tors. eta vs tors. theta energy: -90.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1115.323931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.323931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.323931 (E_RNA) where: Base-Base interactions energy: -791.246 where: short stacking energy: -348.436 Base-Backbone interact. energy: -0.252 local terms energy: -323.825448 where: bonds (distance) C4'-P energy: -59.650 bonds (distance) P-C4' energy: -55.311 flat angles C4'-P-C4' energy: -70.288 flat angles P-C4'-P energy: -43.747 tors. eta vs tors. theta energy: -94.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1050.155344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.155344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.155344 (E_RNA) where: Base-Base interactions energy: -743.240 where: short stacking energy: -318.742 Base-Backbone interact. energy: -1.435 local terms energy: -305.480121 where: bonds (distance) C4'-P energy: -57.479 bonds (distance) P-C4' energy: -65.292 flat angles C4'-P-C4' energy: -61.579 flat angles P-C4'-P energy: -44.924 tors. eta vs tors. theta energy: -76.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1027.946894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.946894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.946894 (E_RNA) where: Base-Base interactions energy: -726.898 where: short stacking energy: -276.487 Base-Backbone interact. energy: 0.243 local terms energy: -301.291797 where: bonds (distance) C4'-P energy: -53.371 bonds (distance) P-C4' energy: -68.206 flat angles C4'-P-C4' energy: -73.458 flat angles P-C4'-P energy: -38.356 tors. eta vs tors. theta energy: -67.902 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: 7 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -953.288737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.288737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.288737 (E_RNA) where: Base-Base interactions energy: -638.156 where: short stacking energy: -280.614 Base-Backbone interact. energy: -0.442 local terms energy: -314.689866 where: bonds (distance) C4'-P energy: -62.477 bonds (distance) P-C4' energy: -62.083 flat angles C4'-P-C4' energy: -67.267 flat angles P-C4'-P energy: -41.077 tors. eta vs tors. theta energy: -81.785 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: 6 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -851.769871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.769871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.769871 (E_RNA) where: Base-Base interactions energy: -600.962 where: short stacking energy: -236.163 Base-Backbone interact. energy: -0.059 local terms energy: -250.748365 where: bonds (distance) C4'-P energy: -44.511 bonds (distance) P-C4' energy: -61.733 flat angles C4'-P-C4' energy: -64.395 flat angles P-C4'-P energy: -34.632 tors. eta vs tors. theta energy: -45.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -834.368995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.368995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.368995 (E_RNA) where: Base-Base interactions energy: -590.044 where: short stacking energy: -249.831 Base-Backbone interact. energy: 1.703 local terms energy: -246.028268 where: bonds (distance) C4'-P energy: -41.258 bonds (distance) P-C4' energy: -60.306 flat angles C4'-P-C4' energy: -55.685 flat angles P-C4'-P energy: -30.340 tors. eta vs tors. theta energy: -58.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -551.145699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.145699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.145699 (E_RNA) where: Base-Base interactions energy: -332.811 where: short stacking energy: -158.243 Base-Backbone interact. energy: -0.989 local terms energy: -217.345985 where: bonds (distance) C4'-P energy: -54.358 bonds (distance) P-C4' energy: -52.567 flat angles C4'-P-C4' energy: -43.426 flat angles P-C4'-P energy: -26.663 tors. eta vs tors. theta energy: -40.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -682.761476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.761476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.761476 (E_RNA) where: Base-Base interactions energy: -455.433 where: short stacking energy: -210.351 Base-Backbone interact. energy: -1.823 local terms energy: -225.505989 where: bonds (distance) C4'-P energy: -48.553 bonds (distance) P-C4' energy: -42.011 flat angles C4'-P-C4' energy: -52.413 flat angles P-C4'-P energy: -32.900 tors. eta vs tors. theta energy: -49.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1201.980504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.980504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.980504 (E_RNA) where: Base-Base interactions energy: -859.878 where: short stacking energy: -354.396 Base-Backbone interact. energy: -1.348 local terms energy: -340.754681 where: bonds (distance) C4'-P energy: -58.134 bonds (distance) P-C4' energy: -64.090 flat angles C4'-P-C4' energy: -74.691 flat angles P-C4'-P energy: -56.198 tors. eta vs tors. theta energy: -87.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1132.728283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.728283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.728283 (E_RNA) where: Base-Base interactions energy: -803.355 where: short stacking energy: -333.856 Base-Backbone interact. energy: -1.722 local terms energy: -327.650667 where: bonds (distance) C4'-P energy: -52.079 bonds (distance) P-C4' energy: -60.671 flat angles C4'-P-C4' energy: -72.188 flat angles P-C4'-P energy: -51.285 tors. eta vs tors. theta energy: -91.428 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: 4 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1108.468105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.468105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.468105 (E_RNA) where: Base-Base interactions energy: -755.929 where: short stacking energy: -328.141 Base-Backbone interact. energy: -0.874 local terms energy: -351.665362 where: bonds (distance) C4'-P energy: -62.436 bonds (distance) P-C4' energy: -62.715 flat angles C4'-P-C4' energy: -72.536 flat angles P-C4'-P energy: -56.146 tors. eta vs tors. theta energy: -97.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1057.104940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.104940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.104940 (E_RNA) where: Base-Base interactions energy: -765.810 where: short stacking energy: -309.345 Base-Backbone interact. energy: -0.985 local terms energy: -290.310131 where: bonds (distance) C4'-P energy: -51.920 bonds (distance) P-C4' energy: -65.843 flat angles C4'-P-C4' energy: -59.800 flat angles P-C4'-P energy: -32.685 tors. eta vs tors. theta energy: -80.063 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: 464 Temperature: 1.100000 Total energy: -1026.208137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.208137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.208137 (E_RNA) where: Base-Base interactions energy: -715.440 where: short stacking energy: -285.167 Base-Backbone interact. energy: -2.670 local terms energy: -308.098397 where: bonds (distance) C4'-P energy: -56.266 bonds (distance) P-C4' energy: -60.576 flat angles C4'-P-C4' energy: -63.943 flat angles P-C4'-P energy: -46.972 tors. eta vs tors. theta energy: -80.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -917.007549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.007549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.007549 (E_RNA) where: Base-Base interactions energy: -650.037 where: short stacking energy: -278.070 Base-Backbone interact. energy: -1.132 local terms energy: -265.838784 where: bonds (distance) C4'-P energy: -50.552 bonds (distance) P-C4' energy: -52.378 flat angles C4'-P-C4' energy: -65.359 flat angles P-C4'-P energy: -35.047 tors. eta vs tors. theta energy: -62.503 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: 8 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -872.608874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.608874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.608874 (E_RNA) where: Base-Base interactions energy: -612.774 where: short stacking energy: -248.497 Base-Backbone interact. energy: 0.166 local terms energy: -260.000254 where: bonds (distance) C4'-P energy: -55.223 bonds (distance) P-C4' energy: -53.627 flat angles C4'-P-C4' energy: -51.445 flat angles P-C4'-P energy: -44.514 tors. eta vs tors. theta energy: -55.190 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: 6 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -822.892914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.892914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.892914 (E_RNA) where: Base-Base interactions energy: -581.777 where: short stacking energy: -238.834 Base-Backbone interact. energy: -0.623 local terms energy: -240.492786 where: bonds (distance) C4'-P energy: -55.546 bonds (distance) P-C4' energy: -51.522 flat angles C4'-P-C4' energy: -49.002 flat angles P-C4'-P energy: -30.573 tors. eta vs tors. theta energy: -53.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -711.338491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.338491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.338491 (E_RNA) where: Base-Base interactions energy: -474.699 where: short stacking energy: -209.847 Base-Backbone interact. energy: -1.040 local terms energy: -235.598662 where: bonds (distance) C4'-P energy: -40.467 bonds (distance) P-C4' energy: -64.017 flat angles C4'-P-C4' energy: -52.320 flat angles P-C4'-P energy: -31.986 tors. eta vs tors. theta energy: -46.808 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: 10, replica: 2 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -523.243247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.243247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.243247 (E_RNA) where: Base-Base interactions energy: -326.519 where: short stacking energy: -151.131 Base-Backbone interact. energy: -1.235 local terms energy: -195.489206 where: bonds (distance) C4'-P energy: -35.621 bonds (distance) P-C4' energy: -57.199 flat angles C4'-P-C4' energy: -53.380 flat angles P-C4'-P energy: -25.594 tors. eta vs tors. theta energy: -23.695 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: 1, replica: 10 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1204.538840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.538840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.538840 (E_RNA) where: Base-Base interactions energy: -859.129 where: short stacking energy: -340.943 Base-Backbone interact. energy: -1.307 local terms energy: -344.101906 where: bonds (distance) C4'-P energy: -61.055 bonds (distance) P-C4' energy: -57.054 flat angles C4'-P-C4' energy: -81.078 flat angles P-C4'-P energy: -51.685 tors. eta vs tors. theta energy: -93.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1133.937924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.937924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.937924 (E_RNA) where: Base-Base interactions energy: -796.864 where: short stacking energy: -328.954 Base-Backbone interact. energy: -1.915 local terms energy: -335.158989 where: bonds (distance) C4'-P energy: -67.609 bonds (distance) P-C4' energy: -61.301 flat angles C4'-P-C4' energy: -76.661 flat angles P-C4'-P energy: -43.983 tors. eta vs tors. theta energy: -85.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1129.672197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.672197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.672197 (E_RNA) where: Base-Base interactions energy: -795.354 where: short stacking energy: -353.645 Base-Backbone interact. energy: -1.005 local terms energy: -333.313272 where: bonds (distance) C4'-P energy: -51.819 bonds (distance) P-C4' energy: -64.940 flat angles C4'-P-C4' energy: -67.020 flat angles P-C4'-P energy: -53.238 tors. eta vs tors. theta energy: -96.296 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: 5 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1057.735851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.735851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.735851 (E_RNA) where: Base-Base interactions energy: -748.522 where: short stacking energy: -326.814 Base-Backbone interact. energy: -1.493 local terms energy: -307.720844 where: bonds (distance) C4'-P energy: -53.054 bonds (distance) P-C4' energy: -55.651 flat angles C4'-P-C4' energy: -74.804 flat angles P-C4'-P energy: -42.223 tors. eta vs tors. theta energy: -81.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1028.256028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.256028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.256028 (E_RNA) where: Base-Base interactions energy: -735.496 where: short stacking energy: -305.095 Base-Backbone interact. energy: -1.620 local terms energy: -291.140475 where: bonds (distance) C4'-P energy: -60.619 bonds (distance) P-C4' energy: -62.300 flat angles C4'-P-C4' energy: -57.759 flat angles P-C4'-P energy: -34.240 tors. eta vs tors. theta energy: -76.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -901.804205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.804205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.804205 (E_RNA) where: Base-Base interactions energy: -627.028 where: short stacking energy: -250.635 Base-Backbone interact. energy: -1.079 local terms energy: -273.696453 where: bonds (distance) C4'-P energy: -52.794 bonds (distance) P-C4' energy: -59.074 flat angles C4'-P-C4' energy: -69.911 flat angles P-C4'-P energy: -41.573 tors. eta vs tors. theta energy: -50.344 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: 7 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -901.313454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.313454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.313454 (E_RNA) where: Base-Base interactions energy: -631.664 where: short stacking energy: -264.141 Base-Backbone interact. energy: -1.159 local terms energy: -268.489913 where: bonds (distance) C4'-P energy: -51.688 bonds (distance) P-C4' energy: -59.597 flat angles C4'-P-C4' energy: -59.121 flat angles P-C4'-P energy: -36.153 tors. eta vs tors. theta energy: -61.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -846.770544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.770544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.770544 (E_RNA) where: Base-Base interactions energy: -582.820 where: short stacking energy: -229.401 Base-Backbone interact. energy: -0.300 local terms energy: -263.650444 where: bonds (distance) C4'-P energy: -52.905 bonds (distance) P-C4' energy: -53.347 flat angles C4'-P-C4' energy: -65.295 flat angles P-C4'-P energy: -42.462 tors. eta vs tors. theta energy: -49.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -699.141030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.141030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.141030 (E_RNA) where: Base-Base interactions energy: -460.542 where: short stacking energy: -204.323 Base-Backbone interact. energy: 1.567 local terms energy: -240.165974 where: bonds (distance) C4'-P energy: -61.495 bonds (distance) P-C4' energy: -44.183 flat angles C4'-P-C4' energy: -59.721 flat angles P-C4'-P energy: -32.176 tors. eta vs tors. theta energy: -42.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -539.411004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.411004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.411004 (E_RNA) where: Base-Base interactions energy: -313.904 where: short stacking energy: -139.233 Base-Backbone interact. energy: -2.291 local terms energy: -223.216377 where: bonds (distance) C4'-P energy: -50.314 bonds (distance) P-C4' energy: -61.522 flat angles C4'-P-C4' energy: -51.979 flat angles P-C4'-P energy: -39.785 tors. eta vs tors. theta energy: -19.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1184.239759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.239759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.239759 (E_RNA) where: Base-Base interactions energy: -824.620 where: short stacking energy: -352.068 Base-Backbone interact. energy: -2.200 local terms energy: -357.419518 where: bonds (distance) C4'-P energy: -73.712 bonds (distance) P-C4' energy: -69.645 flat angles C4'-P-C4' energy: -71.992 flat angles P-C4'-P energy: -51.816 tors. eta vs tors. theta energy: -90.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1111.219379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.219379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.219379 (E_RNA) where: Base-Base interactions energy: -786.213 where: short stacking energy: -333.352 Base-Backbone interact. energy: -1.218 local terms energy: -323.788036 where: bonds (distance) C4'-P energy: -56.311 bonds (distance) P-C4' energy: -67.923 flat angles C4'-P-C4' energy: -71.197 flat angles P-C4'-P energy: -44.499 tors. eta vs tors. theta energy: -83.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1126.704984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.704984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.704984 (E_RNA) where: Base-Base interactions energy: -791.513 where: short stacking energy: -342.508 Base-Backbone interact. energy: -1.728 local terms energy: -333.464030 where: bonds (distance) C4'-P energy: -61.064 bonds (distance) P-C4' energy: -63.768 flat angles C4'-P-C4' energy: -70.422 flat angles P-C4'-P energy: -43.313 tors. eta vs tors. theta energy: -94.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1094.352225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.352225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.352225 (E_RNA) where: Base-Base interactions energy: -768.313 where: short stacking energy: -321.167 Base-Backbone interact. energy: -0.392 local terms energy: -325.647444 where: bonds (distance) C4'-P energy: -57.514 bonds (distance) P-C4' energy: -52.307 flat angles C4'-P-C4' energy: -78.268 flat angles P-C4'-P energy: -46.842 tors. eta vs tors. theta energy: -90.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1045.869339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.869339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.869339 (E_RNA) where: Base-Base interactions energy: -748.701 where: short stacking energy: -294.738 Base-Backbone interact. energy: -1.180 local terms energy: -295.988456 where: bonds (distance) C4'-P energy: -60.502 bonds (distance) P-C4' energy: -68.257 flat angles C4'-P-C4' energy: -63.119 flat angles P-C4'-P energy: -33.733 tors. eta vs tors. theta energy: -70.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -909.685394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.685394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.685394 (E_RNA) where: Base-Base interactions energy: -625.798 where: short stacking energy: -259.433 Base-Backbone interact. energy: -1.676 local terms energy: -282.210755 where: bonds (distance) C4'-P energy: -51.976 bonds (distance) P-C4' energy: -60.902 flat angles C4'-P-C4' energy: -66.012 flat angles P-C4'-P energy: -49.685 tors. eta vs tors. theta energy: -53.635 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: 6 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -858.364546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.364546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.364546 (E_RNA) where: Base-Base interactions energy: -605.982 where: short stacking energy: -246.005 Base-Backbone interact. energy: -1.600 local terms energy: -250.782470 where: bonds (distance) C4'-P energy: -48.110 bonds (distance) P-C4' energy: -60.949 flat angles C4'-P-C4' energy: -59.695 flat angles P-C4'-P energy: -24.958 tors. eta vs tors. theta energy: -57.071 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: 7 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -821.299665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.299665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.299665 (E_RNA) where: Base-Base interactions energy: -574.232 where: short stacking energy: -243.068 Base-Backbone interact. energy: 1.796 local terms energy: -248.863976 where: bonds (distance) C4'-P energy: -48.023 bonds (distance) P-C4' energy: -48.441 flat angles C4'-P-C4' energy: -55.137 flat angles P-C4'-P energy: -38.638 tors. eta vs tors. theta energy: -58.624 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: 466 Temperature: 1.300000 Total energy: -697.255632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.255632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.255632 (E_RNA) where: Base-Base interactions energy: -459.044 where: short stacking energy: -186.729 Base-Backbone interact. energy: -0.472 local terms energy: -237.739529 where: bonds (distance) C4'-P energy: -62.518 bonds (distance) P-C4' energy: -55.524 flat angles C4'-P-C4' energy: -49.577 flat angles P-C4'-P energy: -33.544 tors. eta vs tors. theta energy: -36.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -590.890612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.890612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.890612 (E_RNA) where: Base-Base interactions energy: -389.683 where: short stacking energy: -178.311 Base-Backbone interact. energy: -0.993 local terms energy: -200.214496 where: bonds (distance) C4'-P energy: -44.057 bonds (distance) P-C4' energy: -50.151 flat angles C4'-P-C4' energy: -45.070 flat angles P-C4'-P energy: -29.841 tors. eta vs tors. theta energy: -31.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1191.167158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.167158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.167158 (E_RNA) where: Base-Base interactions energy: -847.449 where: short stacking energy: -349.667 Base-Backbone interact. energy: -0.688 local terms energy: -343.030031 where: bonds (distance) C4'-P energy: -62.733 bonds (distance) P-C4' energy: -60.796 flat angles C4'-P-C4' energy: -79.501 flat angles P-C4'-P energy: -51.129 tors. eta vs tors. theta energy: -88.871 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: 9 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1122.899379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.899379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.899379 (E_RNA) where: Base-Base interactions energy: -798.770 where: short stacking energy: -343.350 Base-Backbone interact. energy: -2.705 local terms energy: -321.424799 where: bonds (distance) C4'-P energy: -55.198 bonds (distance) P-C4' energy: -55.211 flat angles C4'-P-C4' energy: -69.760 flat angles P-C4'-P energy: -49.003 tors. eta vs tors. theta energy: -92.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1128.239056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.239056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.239056 (E_RNA) where: Base-Base interactions energy: -784.877 where: short stacking energy: -345.689 Base-Backbone interact. energy: -2.373 local terms energy: -340.989372 where: bonds (distance) C4'-P energy: -68.703 bonds (distance) P-C4' energy: -64.244 flat angles C4'-P-C4' energy: -69.751 flat angles P-C4'-P energy: -43.239 tors. eta vs tors. theta energy: -95.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1085.220706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.220706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.220706 (E_RNA) where: Base-Base interactions energy: -763.859 where: short stacking energy: -329.074 Base-Backbone interact. energy: -3.587 local terms energy: -317.775244 where: bonds (distance) C4'-P energy: -56.606 bonds (distance) P-C4' energy: -64.544 flat angles C4'-P-C4' energy: -70.689 flat angles P-C4'-P energy: -35.603 tors. eta vs tors. theta energy: -90.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1032.685452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.685452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.685452 (E_RNA) where: Base-Base interactions energy: -736.747 where: short stacking energy: -288.129 Base-Backbone interact. energy: 0.122 local terms energy: -296.060329 where: bonds (distance) C4'-P energy: -41.939 bonds (distance) P-C4' energy: -61.964 flat angles C4'-P-C4' energy: -70.530 flat angles P-C4'-P energy: -46.610 tors. eta vs tors. theta energy: -75.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -891.530403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.530403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.530403 (E_RNA) where: Base-Base interactions energy: -622.036 where: short stacking energy: -255.988 Base-Backbone interact. energy: -1.897 local terms energy: -267.597448 where: bonds (distance) C4'-P energy: -56.524 bonds (distance) P-C4' energy: -53.371 flat angles C4'-P-C4' energy: -58.189 flat angles P-C4'-P energy: -37.888 tors. eta vs tors. theta energy: -61.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -897.333771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.333771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.333771 (E_RNA) where: Base-Base interactions energy: -629.804 where: short stacking energy: -268.341 Base-Backbone interact. energy: -2.653 local terms energy: -264.875979 where: bonds (distance) C4'-P energy: -55.635 bonds (distance) P-C4' energy: -56.132 flat angles C4'-P-C4' energy: -58.292 flat angles P-C4'-P energy: -42.487 tors. eta vs tors. theta energy: -52.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -872.383144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.383144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.383144 (E_RNA) where: Base-Base interactions energy: -600.703 where: short stacking energy: -255.000 Base-Backbone interact. energy: 3.272 local terms energy: -274.952199 where: bonds (distance) C4'-P energy: -45.987 bonds (distance) P-C4' energy: -58.333 flat angles C4'-P-C4' energy: -60.294 flat angles P-C4'-P energy: -44.843 tors. eta vs tors. theta energy: -65.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -688.010597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.010597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.010597 (E_RNA) where: Base-Base interactions energy: -453.474 where: short stacking energy: -199.636 Base-Backbone interact. energy: -1.904 local terms energy: -232.632090 where: bonds (distance) C4'-P energy: -50.935 bonds (distance) P-C4' energy: -57.743 flat angles C4'-P-C4' energy: -41.649 flat angles P-C4'-P energy: -39.791 tors. eta vs tors. theta energy: -42.515 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: 10, replica: 2 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -590.074823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.074823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.074823 (E_RNA) where: Base-Base interactions energy: -384.661 where: short stacking energy: -161.767 Base-Backbone interact. energy: 1.830 local terms energy: -207.244494 where: bonds (distance) C4'-P energy: -48.822 bonds (distance) P-C4' energy: -53.695 flat angles C4'-P-C4' energy: -54.698 flat angles P-C4'-P energy: -20.974 tors. eta vs tors. theta energy: -29.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1190.174655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.174655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.174655 (E_RNA) where: Base-Base interactions energy: -843.834 where: short stacking energy: -336.954 Base-Backbone interact. energy: -0.974 local terms energy: -345.366911 where: bonds (distance) C4'-P energy: -63.689 bonds (distance) P-C4' energy: -65.595 flat angles C4'-P-C4' energy: -74.725 flat angles P-C4'-P energy: -49.079 tors. eta vs tors. theta energy: -92.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1145.421897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.421897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.421897 (E_RNA) where: Base-Base interactions energy: -803.488 where: short stacking energy: -338.445 Base-Backbone interact. energy: -1.245 local terms energy: -340.689201 where: bonds (distance) C4'-P energy: -61.080 bonds (distance) P-C4' energy: -67.493 flat angles C4'-P-C4' energy: -76.060 flat angles P-C4'-P energy: -42.132 tors. eta vs tors. theta energy: -93.925 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: 4 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1143.425120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.425120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.425120 (E_RNA) where: Base-Base interactions energy: -787.117 where: short stacking energy: -346.895 Base-Backbone interact. energy: -0.947 local terms energy: -355.361060 where: bonds (distance) C4'-P energy: -67.679 bonds (distance) P-C4' energy: -66.335 flat angles C4'-P-C4' energy: -71.737 flat angles P-C4'-P energy: -48.631 tors. eta vs tors. theta energy: -100.979 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: 5 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1073.561729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.561729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.561729 (E_RNA) where: Base-Base interactions energy: -754.090 where: short stacking energy: -314.832 Base-Backbone interact. energy: -1.134 local terms energy: -318.337497 where: bonds (distance) C4'-P energy: -56.222 bonds (distance) P-C4' energy: -52.443 flat angles C4'-P-C4' energy: -74.167 flat angles P-C4'-P energy: -47.139 tors. eta vs tors. theta energy: -88.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1058.182094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.182094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.182094 (E_RNA) where: Base-Base interactions energy: -759.891 where: short stacking energy: -318.274 Base-Backbone interact. energy: -2.032 local terms energy: -296.258183 where: bonds (distance) C4'-P energy: -57.380 bonds (distance) P-C4' energy: -56.012 flat angles C4'-P-C4' energy: -67.821 flat angles P-C4'-P energy: -37.856 tors. eta vs tors. theta energy: -77.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -907.815026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.815026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.815026 (E_RNA) where: Base-Base interactions energy: -619.262 where: short stacking energy: -255.687 Base-Backbone interact. energy: -2.097 local terms energy: -286.455933 where: bonds (distance) C4'-P energy: -56.946 bonds (distance) P-C4' energy: -60.909 flat angles C4'-P-C4' energy: -67.425 flat angles P-C4'-P energy: -38.848 tors. eta vs tors. theta energy: -62.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -904.683460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.683460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.683460 (E_RNA) where: Base-Base interactions energy: -642.383 where: short stacking energy: -261.943 Base-Backbone interact. energy: 1.598 local terms energy: -263.899071 where: bonds (distance) C4'-P energy: -53.959 bonds (distance) P-C4' energy: -66.125 flat angles C4'-P-C4' energy: -54.436 flat angles P-C4'-P energy: -30.598 tors. eta vs tors. theta energy: -58.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -898.458761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.458761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.458761 (E_RNA) where: Base-Base interactions energy: -614.619 where: short stacking energy: -265.613 Base-Backbone interact. energy: 0.686 local terms energy: -284.526132 where: bonds (distance) C4'-P energy: -55.653 bonds (distance) P-C4' energy: -50.146 flat angles C4'-P-C4' energy: -68.358 flat angles P-C4'-P energy: -48.293 tors. eta vs tors. theta energy: -62.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -695.185992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.185992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.185992 (E_RNA) where: Base-Base interactions energy: -456.446 where: short stacking energy: -209.690 Base-Backbone interact. energy: 0.549 local terms energy: -239.288184 where: bonds (distance) C4'-P energy: -57.542 bonds (distance) P-C4' energy: -45.407 flat angles C4'-P-C4' energy: -61.203 flat angles P-C4'-P energy: -29.301 tors. eta vs tors. theta energy: -45.835 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: 2 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -556.911883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.911883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.911883 (E_RNA) where: Base-Base interactions energy: -328.682 where: short stacking energy: -152.631 Base-Backbone interact. energy: -1.043 local terms energy: -227.186985 where: bonds (distance) C4'-P energy: -54.976 bonds (distance) P-C4' energy: -56.979 flat angles C4'-P-C4' energy: -50.824 flat angles P-C4'-P energy: -38.995 tors. eta vs tors. theta energy: -25.413 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: 10 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1199.920463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.920463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.920463 (E_RNA) where: Base-Base interactions energy: -855.710 where: short stacking energy: -359.031 Base-Backbone interact. energy: -1.637 local terms energy: -342.573289 where: bonds (distance) C4'-P energy: -62.314 bonds (distance) P-C4' energy: -63.000 flat angles C4'-P-C4' energy: -79.453 flat angles P-C4'-P energy: -44.516 tors. eta vs tors. theta energy: -93.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1166.917723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.917723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.917723 (E_RNA) where: Base-Base interactions energy: -827.751 where: short stacking energy: -342.877 Base-Backbone interact. energy: -0.070 local terms energy: -339.097042 where: bonds (distance) C4'-P energy: -63.696 bonds (distance) P-C4' energy: -66.495 flat angles C4'-P-C4' energy: -67.778 flat angles P-C4'-P energy: -50.848 tors. eta vs tors. theta energy: -90.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1132.915588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.915588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.915588 (E_RNA) where: Base-Base interactions energy: -781.693 where: short stacking energy: -347.832 Base-Backbone interact. energy: -0.128 local terms energy: -351.094689 where: bonds (distance) C4'-P energy: -57.667 bonds (distance) P-C4' energy: -62.283 flat angles C4'-P-C4' energy: -75.745 flat angles P-C4'-P energy: -51.606 tors. eta vs tors. theta energy: -103.794 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: 1 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1103.319167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.319167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.319167 (E_RNA) where: Base-Base interactions energy: -779.955 where: short stacking energy: -316.804 Base-Backbone interact. energy: 2.884 local terms energy: -326.248608 where: bonds (distance) C4'-P energy: -56.021 bonds (distance) P-C4' energy: -68.727 flat angles C4'-P-C4' energy: -68.750 flat angles P-C4'-P energy: -52.661 tors. eta vs tors. theta energy: -80.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1052.611483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.611483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.611483 (E_RNA) where: Base-Base interactions energy: -739.421 where: short stacking energy: -314.888 Base-Backbone interact. energy: -1.444 local terms energy: -311.746822 where: bonds (distance) C4'-P energy: -56.703 bonds (distance) P-C4' energy: -66.141 flat angles C4'-P-C4' energy: -73.514 flat angles P-C4'-P energy: -32.420 tors. eta vs tors. theta energy: -82.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -922.092802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.092802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.092802 (E_RNA) where: Base-Base interactions energy: -636.957 where: short stacking energy: -275.061 Base-Backbone interact. energy: -0.858 local terms energy: -284.277485 where: bonds (distance) C4'-P energy: -58.254 bonds (distance) P-C4' energy: -68.878 flat angles C4'-P-C4' energy: -51.320 flat angles P-C4'-P energy: -31.181 tors. eta vs tors. theta energy: -74.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -917.338215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.338215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.338215 (E_RNA) where: Base-Base interactions energy: -640.164 where: short stacking energy: -267.136 Base-Backbone interact. energy: -1.695 local terms energy: -275.479633 where: bonds (distance) C4'-P energy: -54.226 bonds (distance) P-C4' energy: -56.038 flat angles C4'-P-C4' energy: -54.895 flat angles P-C4'-P energy: -38.822 tors. eta vs tors. theta energy: -71.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -846.445649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.445649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.445649 (E_RNA) where: Base-Base interactions energy: -572.605 where: short stacking energy: -256.750 Base-Backbone interact. energy: -2.607 local terms energy: -271.234261 where: bonds (distance) C4'-P energy: -52.903 bonds (distance) P-C4' energy: -63.485 flat angles C4'-P-C4' energy: -57.931 flat angles P-C4'-P energy: -38.408 tors. eta vs tors. theta energy: -58.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -664.756221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.756221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.756221 (E_RNA) where: Base-Base interactions energy: -439.242 where: short stacking energy: -199.421 Base-Backbone interact. energy: -1.328 local terms energy: -224.185939 where: bonds (distance) C4'-P energy: -49.909 bonds (distance) P-C4' energy: -51.585 flat angles C4'-P-C4' energy: -52.198 flat angles P-C4'-P energy: -34.931 tors. eta vs tors. theta energy: -35.562 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: 10, replica: 2 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -544.672575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.672575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.672575 (E_RNA) where: Base-Base interactions energy: -335.426 where: short stacking energy: -163.274 Base-Backbone interact. energy: -1.000 local terms energy: -208.246395 where: bonds (distance) C4'-P energy: -53.923 bonds (distance) P-C4' energy: -50.186 flat angles C4'-P-C4' energy: -51.987 flat angles P-C4'-P energy: -29.035 tors. eta vs tors. theta energy: -23.115 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: 10 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1209.004640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.004640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.004640 (E_RNA) where: Base-Base interactions energy: -840.682 where: short stacking energy: -354.173 Base-Backbone interact. energy: 0.189 local terms energy: -368.511883 where: bonds (distance) C4'-P energy: -70.582 bonds (distance) P-C4' energy: -69.941 flat angles C4'-P-C4' energy: -80.417 flat angles P-C4'-P energy: -52.912 tors. eta vs tors. theta energy: -94.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1160.658531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.658531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.658531 (E_RNA) where: Base-Base interactions energy: -819.744 where: short stacking energy: -354.608 Base-Backbone interact. energy: -0.605 local terms energy: -340.309349 where: bonds (distance) C4'-P energy: -57.121 bonds (distance) P-C4' energy: -67.734 flat angles C4'-P-C4' energy: -76.388 flat angles P-C4'-P energy: -50.154 tors. eta vs tors. theta energy: -88.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1122.554616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.554616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.554616 (E_RNA) where: Base-Base interactions energy: -783.998 where: short stacking energy: -343.527 Base-Backbone interact. energy: -1.408 local terms energy: -337.148298 where: bonds (distance) C4'-P energy: -63.322 bonds (distance) P-C4' energy: -59.757 flat angles C4'-P-C4' energy: -69.102 flat angles P-C4'-P energy: -47.210 tors. eta vs tors. theta energy: -97.758 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: 1 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1069.493495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.493495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.493495 (E_RNA) where: Base-Base interactions energy: -765.610 where: short stacking energy: -297.928 Base-Backbone interact. energy: -1.049 local terms energy: -302.833993 where: bonds (distance) C4'-P energy: -51.493 bonds (distance) P-C4' energy: -54.561 flat angles C4'-P-C4' energy: -70.436 flat angles P-C4'-P energy: -48.470 tors. eta vs tors. theta energy: -77.873 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: 5 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1042.808341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.808341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.808341 (E_RNA) where: Base-Base interactions energy: -711.385 where: short stacking energy: -306.420 Base-Backbone interact. energy: -1.000 local terms energy: -330.423962 where: bonds (distance) C4'-P energy: -70.197 bonds (distance) P-C4' energy: -60.164 flat angles C4'-P-C4' energy: -71.807 flat angles P-C4'-P energy: -44.092 tors. eta vs tors. theta energy: -84.164 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: 6, replica: 8 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -890.662295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.662295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.662295 (E_RNA) where: Base-Base interactions energy: -621.944 where: short stacking energy: -254.797 Base-Backbone interact. energy: -0.224 local terms energy: -268.494791 where: bonds (distance) C4'-P energy: -52.805 bonds (distance) P-C4' energy: -54.784 flat angles C4'-P-C4' energy: -61.100 flat angles P-C4'-P energy: -38.714 tors. eta vs tors. theta energy: -61.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -930.467447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.467447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.467447 (E_RNA) where: Base-Base interactions energy: -639.251 where: short stacking energy: -268.610 Base-Backbone interact. energy: -1.525 local terms energy: -289.690915 where: bonds (distance) C4'-P energy: -62.742 bonds (distance) P-C4' energy: -67.633 flat angles C4'-P-C4' energy: -61.594 flat angles P-C4'-P energy: -26.095 tors. eta vs tors. theta energy: -71.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -880.756925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.756925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.756925 (E_RNA) where: Base-Base interactions energy: -598.412 where: short stacking energy: -272.675 Base-Backbone interact. energy: 1.589 local terms energy: -283.933288 where: bonds (distance) C4'-P energy: -61.937 bonds (distance) P-C4' energy: -48.931 flat angles C4'-P-C4' energy: -62.243 flat angles P-C4'-P energy: -36.269 tors. eta vs tors. theta energy: -74.553 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: 470 Temperature: 1.300000 Total energy: -686.447297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.447297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.447297 (E_RNA) where: Base-Base interactions energy: -456.453 where: short stacking energy: -201.232 Base-Backbone interact. energy: -1.331 local terms energy: -228.662974 where: bonds (distance) C4'-P energy: -39.471 bonds (distance) P-C4' energy: -56.140 flat angles C4'-P-C4' energy: -54.520 flat angles P-C4'-P energy: -31.633 tors. eta vs tors. theta energy: -46.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -498.111435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.111435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.111435 (E_RNA) where: Base-Base interactions energy: -302.990 where: short stacking energy: -153.333 Base-Backbone interact. energy: -0.457 local terms energy: -194.664146 where: bonds (distance) C4'-P energy: -49.132 bonds (distance) P-C4' energy: -44.797 flat angles C4'-P-C4' energy: -46.591 flat angles P-C4'-P energy: -32.587 tors. eta vs tors. theta energy: -21.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1183.344988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.344988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.344988 (E_RNA) where: Base-Base interactions energy: -841.548 where: short stacking energy: -332.512 Base-Backbone interact. energy: 0.382 local terms energy: -342.179191 where: bonds (distance) C4'-P energy: -64.622 bonds (distance) P-C4' energy: -71.332 flat angles C4'-P-C4' energy: -67.726 flat angles P-C4'-P energy: -50.667 tors. eta vs tors. theta energy: -87.832 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: 471 Temperature: 0.950000 Total energy: -1144.063345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.063345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.063345 (E_RNA) where: Base-Base interactions energy: -793.281 where: short stacking energy: -311.582 Base-Backbone interact. energy: -0.750 local terms energy: -350.033064 where: bonds (distance) C4'-P energy: -68.248 bonds (distance) P-C4' energy: -64.155 flat angles C4'-P-C4' energy: -74.260 flat angles P-C4'-P energy: -51.707 tors. eta vs tors. theta energy: -91.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1108.128026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.128026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.128026 (E_RNA) where: Base-Base interactions energy: -772.374 where: short stacking energy: -334.092 Base-Backbone interact. energy: -0.174 local terms energy: -335.579509 where: bonds (distance) C4'-P energy: -60.149 bonds (distance) P-C4' energy: -59.985 flat angles C4'-P-C4' energy: -69.300 flat angles P-C4'-P energy: -46.785 tors. eta vs tors. theta energy: -99.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1074.265338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.265338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.265338 (E_RNA) where: Base-Base interactions energy: -760.079 where: short stacking energy: -321.481 Base-Backbone interact. energy: 0.859 local terms energy: -315.045327 where: bonds (distance) C4'-P energy: -60.099 bonds (distance) P-C4' energy: -58.144 flat angles C4'-P-C4' energy: -69.211 flat angles P-C4'-P energy: -41.823 tors. eta vs tors. theta energy: -85.769 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: 1 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1066.447243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.447243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.447243 (E_RNA) where: Base-Base interactions energy: -766.145 where: short stacking energy: -302.129 Base-Backbone interact. energy: 0.176 local terms energy: -300.478865 where: bonds (distance) C4'-P energy: -57.507 bonds (distance) P-C4' energy: -57.186 flat angles C4'-P-C4' energy: -56.997 flat angles P-C4'-P energy: -39.988 tors. eta vs tors. theta energy: -88.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -970.893507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.893507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.893507 (E_RNA) where: Base-Base interactions energy: -668.913 where: short stacking energy: -282.358 Base-Backbone interact. energy: -3.198 local terms energy: -298.782478 where: bonds (distance) C4'-P energy: -55.838 bonds (distance) P-C4' energy: -60.187 flat angles C4'-P-C4' energy: -62.893 flat angles P-C4'-P energy: -41.431 tors. eta vs tors. theta energy: -78.434 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: 7, replica: 8 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -859.554641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.554641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.554641 (E_RNA) where: Base-Base interactions energy: -584.055 where: short stacking energy: -228.876 Base-Backbone interact. energy: 4.021 local terms energy: -279.520445 where: bonds (distance) C4'-P energy: -62.446 bonds (distance) P-C4' energy: -57.234 flat angles C4'-P-C4' energy: -63.377 flat angles P-C4'-P energy: -42.175 tors. eta vs tors. theta energy: -54.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -822.897888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.897888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.897888 (E_RNA) where: Base-Base interactions energy: -551.409 where: short stacking energy: -238.655 Base-Backbone interact. energy: -0.893 local terms energy: -270.596298 where: bonds (distance) C4'-P energy: -57.565 bonds (distance) P-C4' energy: -47.239 flat angles C4'-P-C4' energy: -53.891 flat angles P-C4'-P energy: -43.143 tors. eta vs tors. theta energy: -68.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -662.424846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.424846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.424846 (E_RNA) where: Base-Base interactions energy: -444.269 where: short stacking energy: -194.338 Base-Backbone interact. energy: -1.902 local terms energy: -216.253316 where: bonds (distance) C4'-P energy: -53.112 bonds (distance) P-C4' energy: -54.270 flat angles C4'-P-C4' energy: -53.692 flat angles P-C4'-P energy: -24.256 tors. eta vs tors. theta energy: -30.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -532.204839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.204839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.204839 (E_RNA) where: Base-Base interactions energy: -326.905 where: short stacking energy: -153.417 Base-Backbone interact. energy: 6.787 local terms energy: -212.086606 where: bonds (distance) C4'-P energy: -52.204 bonds (distance) P-C4' energy: -60.556 flat angles C4'-P-C4' energy: -47.855 flat angles P-C4'-P energy: -29.632 tors. eta vs tors. theta energy: -21.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1194.202007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.202007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.202007 (E_RNA) where: Base-Base interactions energy: -849.721 where: short stacking energy: -337.443 Base-Backbone interact. energy: -2.518 local terms energy: -341.963032 where: bonds (distance) C4'-P energy: -61.987 bonds (distance) P-C4' energy: -66.106 flat angles C4'-P-C4' energy: -71.738 flat angles P-C4'-P energy: -50.476 tors. eta vs tors. theta energy: -91.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1140.809948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.809948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.809948 (E_RNA) where: Base-Base interactions energy: -815.573 where: short stacking energy: -339.133 Base-Backbone interact. energy: -0.946 local terms energy: -324.291006 where: bonds (distance) C4'-P energy: -60.910 bonds (distance) P-C4' energy: -62.810 flat angles C4'-P-C4' energy: -68.615 flat angles P-C4'-P energy: -43.538 tors. eta vs tors. theta energy: -88.418 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: 4 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1134.323454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.323454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.323454 (E_RNA) where: Base-Base interactions energy: -771.991 where: short stacking energy: -347.364 Base-Backbone interact. energy: -0.967 local terms energy: -361.365207 where: bonds (distance) C4'-P energy: -68.086 bonds (distance) P-C4' energy: -70.338 flat angles C4'-P-C4' energy: -72.603 flat angles P-C4'-P energy: -46.110 tors. eta vs tors. theta energy: -104.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1076.184984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.184984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.184984 (E_RNA) where: Base-Base interactions energy: -761.739 where: short stacking energy: -330.081 Base-Backbone interact. energy: -0.395 local terms energy: -314.051405 where: bonds (distance) C4'-P energy: -53.155 bonds (distance) P-C4' energy: -62.378 flat angles C4'-P-C4' energy: -67.247 flat angles P-C4'-P energy: -40.985 tors. eta vs tors. theta energy: -90.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1042.448840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.448840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.448840 (E_RNA) where: Base-Base interactions energy: -752.608 where: short stacking energy: -308.309 Base-Backbone interact. energy: -2.378 local terms energy: -287.463199 where: bonds (distance) C4'-P energy: -52.399 bonds (distance) P-C4' energy: -51.037 flat angles C4'-P-C4' energy: -72.270 flat angles P-C4'-P energy: -38.247 tors. eta vs tors. theta energy: -73.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -951.975006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.975006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.975006 (E_RNA) where: Base-Base interactions energy: -654.802 where: short stacking energy: -278.372 Base-Backbone interact. energy: -2.190 local terms energy: -294.983304 where: bonds (distance) C4'-P energy: -69.532 bonds (distance) P-C4' energy: -64.854 flat angles C4'-P-C4' energy: -55.330 flat angles P-C4'-P energy: -34.223 tors. eta vs tors. theta energy: -71.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -867.709926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.709926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.709926 (E_RNA) where: Base-Base interactions energy: -586.843 where: short stacking energy: -254.112 Base-Backbone interact. energy: -1.442 local terms energy: -279.425029 where: bonds (distance) C4'-P energy: -56.588 bonds (distance) P-C4' energy: -62.276 flat angles C4'-P-C4' energy: -68.232 flat angles P-C4'-P energy: -36.111 tors. eta vs tors. theta energy: -56.219 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: 7 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -812.151595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.151595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.151595 (E_RNA) where: Base-Base interactions energy: -539.197 where: short stacking energy: -239.039 Base-Backbone interact. energy: -2.190 local terms energy: -270.764351 where: bonds (distance) C4'-P energy: -61.459 bonds (distance) P-C4' energy: -55.291 flat angles C4'-P-C4' energy: -63.653 flat angles P-C4'-P energy: -38.431 tors. eta vs tors. theta energy: -51.931 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: 472 Temperature: 1.300000 Total energy: -648.340551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.340551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.340551 (E_RNA) where: Base-Base interactions energy: -428.553 where: short stacking energy: -209.320 Base-Backbone interact. energy: -1.928 local terms energy: -217.859490 where: bonds (distance) C4'-P energy: -53.056 bonds (distance) P-C4' energy: -58.692 flat angles C4'-P-C4' energy: -54.058 flat angles P-C4'-P energy: -26.454 tors. eta vs tors. theta energy: -25.600 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: 2 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -494.175867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.175867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.175867 (E_RNA) where: Base-Base interactions energy: -299.076 where: short stacking energy: -154.113 Base-Backbone interact. energy: -1.571 local terms energy: -193.529445 where: bonds (distance) C4'-P energy: -55.488 bonds (distance) P-C4' energy: -47.496 flat angles C4'-P-C4' energy: -50.767 flat angles P-C4'-P energy: -20.787 tors. eta vs tors. theta energy: -18.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1196.760040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.760040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.760040 (E_RNA) where: Base-Base interactions energy: -854.745 where: short stacking energy: -353.109 Base-Backbone interact. energy: -3.280 local terms energy: -338.734190 where: bonds (distance) C4'-P energy: -71.916 bonds (distance) P-C4' energy: -61.779 flat angles C4'-P-C4' energy: -68.506 flat angles P-C4'-P energy: -44.378 tors. eta vs tors. theta energy: -92.156 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: 4 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1152.051838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.051838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.051838 (E_RNA) where: Base-Base interactions energy: -805.170 where: short stacking energy: -351.960 Base-Backbone interact. energy: -0.223 local terms energy: -346.659038 where: bonds (distance) C4'-P energy: -61.246 bonds (distance) P-C4' energy: -58.090 flat angles C4'-P-C4' energy: -72.605 flat angles P-C4'-P energy: -53.330 tors. eta vs tors. theta energy: -101.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1131.967738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.967738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.967738 (E_RNA) where: Base-Base interactions energy: -814.381 where: short stacking energy: -332.965 Base-Backbone interact. energy: -1.134 local terms energy: -316.452964 where: bonds (distance) C4'-P energy: -63.065 bonds (distance) P-C4' energy: -50.107 flat angles C4'-P-C4' energy: -75.480 flat angles P-C4'-P energy: -39.961 tors. eta vs tors. theta energy: -87.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1088.342377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.342377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.342377 (E_RNA) where: Base-Base interactions energy: -772.500 where: short stacking energy: -333.954 Base-Backbone interact. energy: -1.781 local terms energy: -314.061245 where: bonds (distance) C4'-P energy: -62.023 bonds (distance) P-C4' energy: -53.707 flat angles C4'-P-C4' energy: -72.404 flat angles P-C4'-P energy: -42.976 tors. eta vs tors. theta energy: -82.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1031.580670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.580670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.580670 (E_RNA) where: Base-Base interactions energy: -731.690 where: short stacking energy: -318.215 Base-Backbone interact. energy: -1.328 local terms energy: -298.562493 where: bonds (distance) C4'-P energy: -58.683 bonds (distance) P-C4' energy: -60.830 flat angles C4'-P-C4' energy: -58.934 flat angles P-C4'-P energy: -46.419 tors. eta vs tors. theta energy: -73.697 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: 6 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -915.451037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.451037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.451037 (E_RNA) where: Base-Base interactions energy: -631.558 where: short stacking energy: -267.294 Base-Backbone interact. energy: -1.108 local terms energy: -282.784446 where: bonds (distance) C4'-P energy: -65.153 bonds (distance) P-C4' energy: -51.401 flat angles C4'-P-C4' energy: -60.246 flat angles P-C4'-P energy: -37.302 tors. eta vs tors. theta energy: -68.682 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: 8 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -847.428300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.428300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.428300 (E_RNA) where: Base-Base interactions energy: -586.336 where: short stacking energy: -232.142 Base-Backbone interact. energy: -1.647 local terms energy: -259.445394 where: bonds (distance) C4'-P energy: -51.953 bonds (distance) P-C4' energy: -56.825 flat angles C4'-P-C4' energy: -59.097 flat angles P-C4'-P energy: -38.004 tors. eta vs tors. theta energy: -53.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -836.805429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.805429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.805429 (E_RNA) where: Base-Base interactions energy: -560.997 where: short stacking energy: -247.376 Base-Backbone interact. energy: -0.957 local terms energy: -274.851495 where: bonds (distance) C4'-P energy: -53.054 bonds (distance) P-C4' energy: -56.776 flat angles C4'-P-C4' energy: -61.510 flat angles P-C4'-P energy: -39.186 tors. eta vs tors. theta energy: -64.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -647.471142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.471142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.471142 (E_RNA) where: Base-Base interactions energy: -431.670 where: short stacking energy: -197.901 Base-Backbone interact. energy: 2.467 local terms energy: -218.267948 where: bonds (distance) C4'-P energy: -59.804 bonds (distance) P-C4' energy: -51.741 flat angles C4'-P-C4' energy: -45.158 flat angles P-C4'-P energy: -26.639 tors. eta vs tors. theta energy: -34.926 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: 10, replica: 2 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -547.696819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.696819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.696819 (E_RNA) where: Base-Base interactions energy: -335.133 where: short stacking energy: -143.715 Base-Backbone interact. energy: -0.879 local terms energy: -211.684690 where: bonds (distance) C4'-P energy: -51.871 bonds (distance) P-C4' energy: -55.771 flat angles C4'-P-C4' energy: -52.007 flat angles P-C4'-P energy: -36.270 tors. eta vs tors. theta energy: -15.765 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: 10 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1187.912305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.912305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.912305 (E_RNA) where: Base-Base interactions energy: -834.142 where: short stacking energy: -343.363 Base-Backbone interact. energy: -1.067 local terms energy: -352.703774 where: bonds (distance) C4'-P energy: -69.871 bonds (distance) P-C4' energy: -66.090 flat angles C4'-P-C4' energy: -75.431 flat angles P-C4'-P energy: -47.210 tors. eta vs tors. theta energy: -94.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1155.675729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.675729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.675729 (E_RNA) where: Base-Base interactions energy: -797.016 where: short stacking energy: -361.783 Base-Backbone interact. energy: -0.799 local terms energy: -357.860803 where: bonds (distance) C4'-P energy: -58.220 bonds (distance) P-C4' energy: -65.810 flat angles C4'-P-C4' energy: -71.025 flat angles P-C4'-P energy: -55.822 tors. eta vs tors. theta energy: -106.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1084.415429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.415429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.415429 (E_RNA) where: Base-Base interactions energy: -750.456 where: short stacking energy: -326.200 Base-Backbone interact. energy: -2.668 local terms energy: -331.290792 where: bonds (distance) C4'-P energy: -59.051 bonds (distance) P-C4' energy: -68.660 flat angles C4'-P-C4' energy: -57.576 flat angles P-C4'-P energy: -54.447 tors. eta vs tors. theta energy: -91.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1090.342354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.342354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.342354 (E_RNA) where: Base-Base interactions energy: -776.541 where: short stacking energy: -321.470 Base-Backbone interact. energy: -2.947 local terms energy: -310.854638 where: bonds (distance) C4'-P energy: -60.768 bonds (distance) P-C4' energy: -57.754 flat angles C4'-P-C4' energy: -66.936 flat angles P-C4'-P energy: -42.919 tors. eta vs tors. theta energy: -82.478 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: 474 Temperature: 1.100000 Total energy: -1023.999356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.999356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.999356 (E_RNA) where: Base-Base interactions energy: -723.561 where: short stacking energy: -307.971 Base-Backbone interact. energy: -2.054 local terms energy: -298.385056 where: bonds (distance) C4'-P energy: -55.407 bonds (distance) P-C4' energy: -41.686 flat angles C4'-P-C4' energy: -72.010 flat angles P-C4'-P energy: -46.928 tors. eta vs tors. theta energy: -82.354 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: 6, replica: 6 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -923.258218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.258218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.258218 (E_RNA) where: Base-Base interactions energy: -671.150 where: short stacking energy: -280.866 Base-Backbone interact. energy: 9.952 local terms energy: -262.060422 where: bonds (distance) C4'-P energy: -59.652 bonds (distance) P-C4' energy: -50.280 flat angles C4'-P-C4' energy: -48.286 flat angles P-C4'-P energy: -35.949 tors. eta vs tors. theta energy: -67.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -850.162724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.162724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.162724 (E_RNA) where: Base-Base interactions energy: -581.520 where: short stacking energy: -259.518 Base-Backbone interact. energy: -0.208 local terms energy: -268.434270 where: bonds (distance) C4'-P energy: -56.876 bonds (distance) P-C4' energy: -59.234 flat angles C4'-P-C4' energy: -56.434 flat angles P-C4'-P energy: -41.348 tors. eta vs tors. theta energy: -54.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -817.936106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.936106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.936106 (E_RNA) where: Base-Base interactions energy: -563.356 where: short stacking energy: -257.614 Base-Backbone interact. energy: 2.577 local terms energy: -257.156644 where: bonds (distance) C4'-P energy: -51.976 bonds (distance) P-C4' energy: -54.374 flat angles C4'-P-C4' energy: -63.717 flat angles P-C4'-P energy: -26.633 tors. eta vs tors. theta energy: -60.456 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: 3 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -678.885252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.885252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.885252 (E_RNA) where: Base-Base interactions energy: -457.700 where: short stacking energy: -208.075 Base-Backbone interact. energy: -1.187 local terms energy: -219.998474 where: bonds (distance) C4'-P energy: -49.955 bonds (distance) P-C4' energy: -50.484 flat angles C4'-P-C4' energy: -52.957 flat angles P-C4'-P energy: -21.526 tors. eta vs tors. theta energy: -45.076 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: 2 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -520.536852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.536852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.536852 (E_RNA) where: Base-Base interactions energy: -310.837 where: short stacking energy: -148.675 Base-Backbone interact. energy: 3.503 local terms energy: -213.202250 where: bonds (distance) C4'-P energy: -58.593 bonds (distance) P-C4' energy: -62.136 flat angles C4'-P-C4' energy: -51.547 flat angles P-C4'-P energy: -27.465 tors. eta vs tors. theta energy: -13.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1200.056036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.056036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.056036 (E_RNA) where: Base-Base interactions energy: -863.488 where: short stacking energy: -353.581 Base-Backbone interact. energy: 0.385 local terms energy: -336.952802 where: bonds (distance) C4'-P energy: -52.854 bonds (distance) P-C4' energy: -62.845 flat angles C4'-P-C4' energy: -76.070 flat angles P-C4'-P energy: -58.223 tors. eta vs tors. theta energy: -86.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1172.371250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.371250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.371250 (E_RNA) where: Base-Base interactions energy: -813.287 where: short stacking energy: -372.631 Base-Backbone interact. energy: -2.712 local terms energy: -356.372754 where: bonds (distance) C4'-P energy: -60.107 bonds (distance) P-C4' energy: -64.940 flat angles C4'-P-C4' energy: -69.946 flat angles P-C4'-P energy: -52.940 tors. eta vs tors. theta energy: -108.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1095.435944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.435944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.435944 (E_RNA) where: Base-Base interactions energy: -775.536 where: short stacking energy: -311.675 Base-Backbone interact. energy: 0.021 local terms energy: -319.921335 where: bonds (distance) C4'-P energy: -58.354 bonds (distance) P-C4' energy: -61.351 flat angles C4'-P-C4' energy: -64.648 flat angles P-C4'-P energy: -50.567 tors. eta vs tors. theta energy: -85.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1108.457684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.457684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.457684 (E_RNA) where: Base-Base interactions energy: -784.587 where: short stacking energy: -340.895 Base-Backbone interact. energy: -1.740 local terms energy: -322.131328 where: bonds (distance) C4'-P energy: -64.751 bonds (distance) P-C4' energy: -66.254 flat angles C4'-P-C4' energy: -68.979 flat angles P-C4'-P energy: -33.684 tors. eta vs tors. theta energy: -88.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1047.988136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.988136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.988136 (E_RNA) where: Base-Base interactions energy: -757.481 where: short stacking energy: -298.575 Base-Backbone interact. energy: -2.021 local terms energy: -288.485550 where: bonds (distance) C4'-P energy: -61.927 bonds (distance) P-C4' energy: -49.690 flat angles C4'-P-C4' energy: -63.629 flat angles P-C4'-P energy: -30.695 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: 6, replica: 6 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -941.828954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.828954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.828954 (E_RNA) where: Base-Base interactions energy: -653.898 where: short stacking energy: -278.081 Base-Backbone interact. energy: 2.174 local terms energy: -290.105034 where: bonds (distance) C4'-P energy: -54.191 bonds (distance) P-C4' energy: -58.354 flat angles C4'-P-C4' energy: -63.586 flat angles P-C4'-P energy: -43.092 tors. eta vs tors. theta energy: -70.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -860.474713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.474713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.474713 (E_RNA) where: Base-Base interactions energy: -583.466 where: short stacking energy: -250.398 Base-Backbone interact. energy: -2.080 local terms energy: -274.929405 where: bonds (distance) C4'-P energy: -46.900 bonds (distance) P-C4' energy: -54.743 flat angles C4'-P-C4' energy: -60.904 flat angles P-C4'-P energy: -48.156 tors. eta vs tors. theta energy: -64.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -788.876918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.876918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.876918 (E_RNA) where: Base-Base interactions energy: -519.809 where: short stacking energy: -243.458 Base-Backbone interact. energy: -1.078 local terms energy: -267.989230 where: bonds (distance) C4'-P energy: -58.411 bonds (distance) P-C4' energy: -47.799 flat angles C4'-P-C4' energy: -69.438 flat angles P-C4'-P energy: -36.157 tors. eta vs tors. theta energy: -56.185 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: 475 Temperature: 1.300000 Total energy: -653.664259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.664259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.664259 (E_RNA) where: Base-Base interactions energy: -419.951 where: short stacking energy: -173.855 Base-Backbone interact. energy: -1.060 local terms energy: -232.653748 where: bonds (distance) C4'-P energy: -52.532 bonds (distance) P-C4' energy: -66.383 flat angles C4'-P-C4' energy: -43.398 flat angles P-C4'-P energy: -37.511 tors. eta vs tors. theta energy: -32.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -518.500821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.500821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.500821 (E_RNA) where: Base-Base interactions energy: -318.619 where: short stacking energy: -158.863 Base-Backbone interact. energy: 0.551 local terms energy: -200.432287 where: bonds (distance) C4'-P energy: -45.347 bonds (distance) P-C4' energy: -54.632 flat angles C4'-P-C4' energy: -50.908 flat angles P-C4'-P energy: -29.911 tors. eta vs tors. theta energy: -19.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1173.650354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.650354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.650354 (E_RNA) where: Base-Base interactions energy: -815.477 where: short stacking energy: -355.690 Base-Backbone interact. energy: -0.216 local terms energy: -357.957552 where: bonds (distance) C4'-P energy: -65.383 bonds (distance) P-C4' energy: -68.803 flat angles C4'-P-C4' energy: -72.527 flat angles P-C4'-P energy: -50.994 tors. eta vs tors. theta energy: -100.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1190.902268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.902268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.902268 (E_RNA) where: Base-Base interactions energy: -857.248 where: short stacking energy: -362.944 Base-Backbone interact. energy: -2.019 local terms energy: -331.634813 where: bonds (distance) C4'-P energy: -50.615 bonds (distance) P-C4' energy: -58.782 flat angles C4'-P-C4' energy: -74.632 flat angles P-C4'-P energy: -51.071 tors. eta vs tors. theta energy: -96.534 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: 5 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1107.221794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.221794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.221794 (E_RNA) where: Base-Base interactions energy: -779.348 where: short stacking energy: -340.140 Base-Backbone interact. energy: -1.074 local terms energy: -326.799285 where: bonds (distance) C4'-P energy: -56.710 bonds (distance) P-C4' energy: -59.406 flat angles C4'-P-C4' energy: -74.615 flat angles P-C4'-P energy: -45.586 tors. eta vs tors. theta energy: -90.483 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: 4, replica: 9 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1105.194466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.194466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.194466 (E_RNA) where: Base-Base interactions energy: -782.188 where: short stacking energy: -349.436 Base-Backbone interact. energy: -1.001 local terms energy: -322.004846 where: bonds (distance) C4'-P energy: -65.683 bonds (distance) P-C4' energy: -60.021 flat angles C4'-P-C4' energy: -55.349 flat angles P-C4'-P energy: -46.168 tors. eta vs tors. theta energy: -94.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1043.051156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.051156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.051156 (E_RNA) where: Base-Base interactions energy: -735.052 where: short stacking energy: -315.981 Base-Backbone interact. energy: -2.324 local terms energy: -305.674256 where: bonds (distance) C4'-P energy: -63.069 bonds (distance) P-C4' energy: -61.618 flat angles C4'-P-C4' energy: -63.406 flat angles P-C4'-P energy: -34.740 tors. eta vs tors. theta energy: -82.841 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: 6 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -952.374979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.374979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.374979 (E_RNA) where: Base-Base interactions energy: -662.561 where: short stacking energy: -272.426 Base-Backbone interact. energy: -0.971 local terms energy: -288.842603 where: bonds (distance) C4'-P energy: -62.567 bonds (distance) P-C4' energy: -60.155 flat angles C4'-P-C4' energy: -66.707 flat angles P-C4'-P energy: -33.961 tors. eta vs tors. theta energy: -65.453 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: 476 Temperature: 1.200000 Total energy: -878.531549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.531549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.531549 (E_RNA) where: Base-Base interactions energy: -600.074 where: short stacking energy: -263.399 Base-Backbone interact. energy: -1.599 local terms energy: -276.859108 where: bonds (distance) C4'-P energy: -51.541 bonds (distance) P-C4' energy: -58.457 flat angles C4'-P-C4' energy: -58.459 flat angles P-C4'-P energy: -39.501 tors. eta vs tors. theta energy: -68.901 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: 476 Temperature: 1.250000 Total energy: -877.931056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.931056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.931056 (E_RNA) where: Base-Base interactions energy: -586.725 where: short stacking energy: -274.197 Base-Backbone interact. energy: -0.294 local terms energy: -290.911763 where: bonds (distance) C4'-P energy: -62.406 bonds (distance) P-C4' energy: -65.848 flat angles C4'-P-C4' energy: -54.581 flat angles P-C4'-P energy: -40.859 tors. eta vs tors. theta energy: -67.218 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: 476 Temperature: 1.300000 Total energy: -682.722869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.722869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.722869 (E_RNA) where: Base-Base interactions energy: -456.592 where: short stacking energy: -204.112 Base-Backbone interact. energy: -1.413 local terms energy: -224.718403 where: bonds (distance) C4'-P energy: -43.795 bonds (distance) P-C4' energy: -50.140 flat angles C4'-P-C4' energy: -45.393 flat angles P-C4'-P energy: -33.282 tors. eta vs tors. theta energy: -52.109 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: 2 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -503.966393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.966393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.966393 (E_RNA) where: Base-Base interactions energy: -305.728 where: short stacking energy: -143.013 Base-Backbone interact. energy: -1.954 local terms energy: -196.284145 where: bonds (distance) C4'-P energy: -57.783 bonds (distance) P-C4' energy: -53.895 flat angles C4'-P-C4' energy: -47.253 flat angles P-C4'-P energy: -25.774 tors. eta vs tors. theta energy: -11.579 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: 4 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1196.928270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.928270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.928270 (E_RNA) where: Base-Base interactions energy: -828.858 where: short stacking energy: -381.930 Base-Backbone interact. energy: -1.998 local terms energy: -366.072441 where: bonds (distance) C4'-P energy: -57.336 bonds (distance) P-C4' energy: -76.264 flat angles C4'-P-C4' energy: -70.185 flat angles P-C4'-P energy: -57.230 tors. eta vs tors. theta energy: -105.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1188.945005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.945005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.945005 (E_RNA) where: Base-Base interactions energy: -848.212 where: short stacking energy: -348.802 Base-Backbone interact. energy: -2.095 local terms energy: -338.637394 where: bonds (distance) C4'-P energy: -57.867 bonds (distance) P-C4' energy: -71.361 flat angles C4'-P-C4' energy: -68.529 flat angles P-C4'-P energy: -47.278 tors. eta vs tors. theta energy: -93.603 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: 5 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1102.084693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.084693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.084693 (E_RNA) where: Base-Base interactions energy: -757.701 where: short stacking energy: -334.984 Base-Backbone interact. energy: -1.287 local terms energy: -343.097526 where: bonds (distance) C4'-P energy: -56.128 bonds (distance) P-C4' energy: -69.854 flat angles C4'-P-C4' energy: -74.988 flat angles P-C4'-P energy: -53.150 tors. eta vs tors. theta energy: -88.978 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: 9 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1096.841156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.841156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.841156 (E_RNA) where: Base-Base interactions energy: -787.902 where: short stacking energy: -329.763 Base-Backbone interact. energy: -0.528 local terms energy: -308.411196 where: bonds (distance) C4'-P energy: -61.973 bonds (distance) P-C4' energy: -47.698 flat angles C4'-P-C4' energy: -72.617 flat angles P-C4'-P energy: -45.170 tors. eta vs tors. theta energy: -80.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1044.037054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.037054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.037054 (E_RNA) where: Base-Base interactions energy: -741.288 where: short stacking energy: -294.129 Base-Backbone interact. energy: -3.804 local terms energy: -298.944335 where: bonds (distance) C4'-P energy: -53.595 bonds (distance) P-C4' energy: -62.429 flat angles C4'-P-C4' energy: -66.613 flat angles P-C4'-P energy: -42.434 tors. eta vs tors. theta energy: -73.874 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: 7 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -930.320039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.320039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.320039 (E_RNA) where: Base-Base interactions energy: -634.164 where: short stacking energy: -295.957 Base-Backbone interact. energy: -0.254 local terms energy: -295.902426 where: bonds (distance) C4'-P energy: -59.726 bonds (distance) P-C4' energy: -55.574 flat angles C4'-P-C4' energy: -61.208 flat angles P-C4'-P energy: -41.405 tors. eta vs tors. theta energy: -77.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -865.247949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.247949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.247949 (E_RNA) where: Base-Base interactions energy: -582.786 where: short stacking energy: -257.863 Base-Backbone interact. energy: -0.850 local terms energy: -281.612280 where: bonds (distance) C4'-P energy: -43.505 bonds (distance) P-C4' energy: -63.967 flat angles C4'-P-C4' energy: -66.604 flat angles P-C4'-P energy: -44.671 tors. eta vs tors. theta energy: -62.865 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: 477 Temperature: 1.250000 Total energy: -824.479006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.479006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.479006 (E_RNA) where: Base-Base interactions energy: -575.917 where: short stacking energy: -234.689 Base-Backbone interact. energy: -1.624 local terms energy: -246.937703 where: bonds (distance) C4'-P energy: -42.162 bonds (distance) P-C4' energy: -47.048 flat angles C4'-P-C4' energy: -57.460 flat angles P-C4'-P energy: -36.495 tors. eta vs tors. theta energy: -63.773 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: 3 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -689.323094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.323094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.323094 (E_RNA) where: Base-Base interactions energy: -464.810 where: short stacking energy: -218.633 Base-Backbone interact. energy: -0.740 local terms energy: -223.773352 where: bonds (distance) C4'-P energy: -38.505 bonds (distance) P-C4' energy: -46.303 flat angles C4'-P-C4' energy: -59.399 flat angles P-C4'-P energy: -33.574 tors. eta vs tors. theta energy: -45.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -506.321345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.321345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.321345 (E_RNA) where: Base-Base interactions energy: -332.544 where: short stacking energy: -160.056 Base-Backbone interact. energy: 2.073 local terms energy: -175.851055 where: bonds (distance) C4'-P energy: -35.307 bonds (distance) P-C4' energy: -44.545 flat angles C4'-P-C4' energy: -42.633 flat angles P-C4'-P energy: -29.572 tors. eta vs tors. theta energy: -23.794 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: 10 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1231.254045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.254045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.254045 (E_RNA) where: Base-Base interactions energy: -866.948 where: short stacking energy: -361.806 Base-Backbone interact. energy: -0.249 local terms energy: -364.056946 where: bonds (distance) C4'-P energy: -68.746 bonds (distance) P-C4' energy: -68.645 flat angles C4'-P-C4' energy: -72.605 flat angles P-C4'-P energy: -55.985 tors. eta vs tors. theta energy: -98.076 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: 4 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1158.133906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.133906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.133906 (E_RNA) where: Base-Base interactions energy: -803.512 where: short stacking energy: -358.115 Base-Backbone interact. energy: -1.278 local terms energy: -353.344264 where: bonds (distance) C4'-P energy: -71.409 bonds (distance) P-C4' energy: -62.679 flat angles C4'-P-C4' energy: -68.277 flat angles P-C4'-P energy: -48.258 tors. eta vs tors. theta energy: -102.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1100.646426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.646426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.646426 (E_RNA) where: Base-Base interactions energy: -773.367 where: short stacking energy: -337.027 Base-Backbone interact. energy: -3.917 local terms energy: -323.362605 where: bonds (distance) C4'-P energy: -57.930 bonds (distance) P-C4' energy: -65.635 flat angles C4'-P-C4' energy: -66.661 flat angles P-C4'-P energy: -47.546 tors. eta vs tors. theta energy: -85.590 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: 478 Temperature: 1.050000 Total energy: -1096.015729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.015729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.015729 (E_RNA) where: Base-Base interactions energy: -775.953 where: short stacking energy: -318.665 Base-Backbone interact. energy: -0.638 local terms energy: -319.424876 where: bonds (distance) C4'-P energy: -63.572 bonds (distance) P-C4' energy: -63.173 flat angles C4'-P-C4' energy: -62.573 flat angles P-C4'-P energy: -49.515 tors. eta vs tors. theta energy: -80.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1034.883404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.883404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.883404 (E_RNA) where: Base-Base interactions energy: -729.313 where: short stacking energy: -301.247 Base-Backbone interact. energy: -1.999 local terms energy: -303.571219 where: bonds (distance) C4'-P energy: -58.384 bonds (distance) P-C4' energy: -59.326 flat angles C4'-P-C4' energy: -66.992 flat angles P-C4'-P energy: -36.968 tors. eta vs tors. theta energy: -81.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -936.479198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.479198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.479198 (E_RNA) where: Base-Base interactions energy: -641.966 where: short stacking energy: -293.545 Base-Backbone interact. energy: -0.362 local terms energy: -294.151830 where: bonds (distance) C4'-P energy: -58.755 bonds (distance) P-C4' energy: -62.941 flat angles C4'-P-C4' energy: -66.908 flat angles P-C4'-P energy: -33.931 tors. eta vs tors. theta energy: -71.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -904.170540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.170540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.170540 (E_RNA) where: Base-Base interactions energy: -649.288 where: short stacking energy: -277.571 Base-Backbone interact. energy: 1.273 local terms energy: -256.155607 where: bonds (distance) C4'-P energy: -48.301 bonds (distance) P-C4' energy: -43.903 flat angles C4'-P-C4' energy: -49.607 flat angles P-C4'-P energy: -44.701 tors. eta vs tors. theta energy: -69.643 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: 478 Temperature: 1.250000 Total energy: -840.744371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.744371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.744371 (E_RNA) where: Base-Base interactions energy: -580.728 where: short stacking energy: -242.403 Base-Backbone interact. energy: 1.191 local terms energy: -261.207162 where: bonds (distance) C4'-P energy: -48.036 bonds (distance) P-C4' energy: -55.766 flat angles C4'-P-C4' energy: -63.717 flat angles P-C4'-P energy: -38.395 tors. eta vs tors. theta energy: -55.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -671.353823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.353823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.353823 (E_RNA) where: Base-Base interactions energy: -459.043 where: short stacking energy: -199.154 Base-Backbone interact. energy: -0.981 local terms energy: -211.330527 where: bonds (distance) C4'-P energy: -38.926 bonds (distance) P-C4' energy: -45.124 flat angles C4'-P-C4' energy: -50.884 flat angles P-C4'-P energy: -35.854 tors. eta vs tors. theta energy: -40.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -515.498910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.498910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.498910 (E_RNA) where: Base-Base interactions energy: -299.910 where: short stacking energy: -153.748 Base-Backbone interact. energy: 0.403 local terms energy: -215.992382 where: bonds (distance) C4'-P energy: -59.183 bonds (distance) P-C4' energy: -52.850 flat angles C4'-P-C4' energy: -48.824 flat angles P-C4'-P energy: -35.219 tors. eta vs tors. theta energy: -19.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1207.354002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.354002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.354002 (E_RNA) where: Base-Base interactions energy: -860.047 where: short stacking energy: -353.963 Base-Backbone interact. energy: -0.542 local terms energy: -346.765224 where: bonds (distance) C4'-P energy: -62.499 bonds (distance) P-C4' energy: -72.605 flat angles C4'-P-C4' energy: -75.143 flat angles P-C4'-P energy: -44.114 tors. eta vs tors. theta energy: -92.404 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: 4 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1167.148893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.148893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.148893 (E_RNA) where: Base-Base interactions energy: -817.202 where: short stacking energy: -354.301 Base-Backbone interact. energy: -2.119 local terms energy: -347.827071 where: bonds (distance) C4'-P energy: -59.105 bonds (distance) P-C4' energy: -56.736 flat angles C4'-P-C4' energy: -73.408 flat angles P-C4'-P energy: -56.498 tors. eta vs tors. theta energy: -102.080 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: 5 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1116.563650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.563650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.563650 (E_RNA) where: Base-Base interactions energy: -773.253 where: short stacking energy: -321.067 Base-Backbone interact. energy: -2.747 local terms energy: -340.563300 where: bonds (distance) C4'-P energy: -65.764 bonds (distance) P-C4' energy: -63.695 flat angles C4'-P-C4' energy: -69.240 flat angles P-C4'-P energy: -46.535 tors. eta vs tors. theta energy: -95.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1118.696865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.696865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.696865 (E_RNA) where: Base-Base interactions energy: -794.236 where: short stacking energy: -332.831 Base-Backbone interact. energy: -0.700 local terms energy: -323.760708 where: bonds (distance) C4'-P energy: -57.832 bonds (distance) P-C4' energy: -67.302 flat angles C4'-P-C4' energy: -62.605 flat angles P-C4'-P energy: -50.354 tors. eta vs tors. theta energy: -85.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1013.243290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.243290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.243290 (E_RNA) where: Base-Base interactions energy: -707.642 where: short stacking energy: -290.145 Base-Backbone interact. energy: -0.576 local terms energy: -305.024999 where: bonds (distance) C4'-P energy: -60.396 bonds (distance) P-C4' energy: -51.162 flat angles C4'-P-C4' energy: -68.496 flat angles P-C4'-P energy: -40.994 tors. eta vs tors. theta energy: -83.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -942.516722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.516722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.516722 (E_RNA) where: Base-Base interactions energy: -657.572 where: short stacking energy: -287.457 Base-Backbone interact. energy: -0.126 local terms energy: -284.818431 where: bonds (distance) C4'-P energy: -61.102 bonds (distance) P-C4' energy: -51.360 flat angles C4'-P-C4' energy: -65.659 flat angles P-C4'-P energy: -30.586 tors. eta vs tors. theta energy: -76.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -914.321384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.321384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.321384 (E_RNA) where: Base-Base interactions energy: -627.398 where: short stacking energy: -273.237 Base-Backbone interact. energy: -1.547 local terms energy: -285.376758 where: bonds (distance) C4'-P energy: -57.235 bonds (distance) P-C4' energy: -64.403 flat angles C4'-P-C4' energy: -60.901 flat angles P-C4'-P energy: -35.527 tors. eta vs tors. theta energy: -67.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -857.563175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.563175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.563175 (E_RNA) where: Base-Base interactions energy: -595.949 where: short stacking energy: -243.693 Base-Backbone interact. energy: -0.459 local terms energy: -261.155877 where: bonds (distance) C4'-P energy: -59.818 bonds (distance) P-C4' energy: -55.054 flat angles C4'-P-C4' energy: -50.292 flat angles P-C4'-P energy: -38.758 tors. eta vs tors. theta energy: -57.233 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: 3 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -665.072175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.072175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.072175 (E_RNA) where: Base-Base interactions energy: -420.441 where: short stacking energy: -204.080 Base-Backbone interact. energy: 1.436 local terms energy: -246.066912 where: bonds (distance) C4'-P energy: -60.983 bonds (distance) P-C4' energy: -45.654 flat angles C4'-P-C4' energy: -56.216 flat angles P-C4'-P energy: -31.403 tors. eta vs tors. theta energy: -51.811 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: 2 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -514.277140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.277140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.277140 (E_RNA) where: Base-Base interactions energy: -310.731 where: short stacking energy: -164.809 Base-Backbone interact. energy: 0.245 local terms energy: -203.791272 where: bonds (distance) C4'-P energy: -49.225 bonds (distance) P-C4' energy: -49.128 flat angles C4'-P-C4' energy: -55.829 flat angles P-C4'-P energy: -22.589 tors. eta vs tors. theta energy: -27.020 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: 10 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1218.047090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.047090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.047090 (E_RNA) where: Base-Base interactions energy: -873.203 where: short stacking energy: -365.879 Base-Backbone interact. energy: -1.400 local terms energy: -343.443941 where: bonds (distance) C4'-P energy: -66.531 bonds (distance) P-C4' energy: -64.110 flat angles C4'-P-C4' energy: -71.316 flat angles P-C4'-P energy: -48.171 tors. eta vs tors. theta energy: -93.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1172.699240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.699240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.699240 (E_RNA) where: Base-Base interactions energy: -812.252 where: short stacking energy: -359.308 Base-Backbone interact. energy: -0.623 local terms energy: -359.824758 where: bonds (distance) C4'-P energy: -67.664 bonds (distance) P-C4' energy: -62.854 flat angles C4'-P-C4' energy: -77.348 flat angles P-C4'-P energy: -48.827 tors. eta vs tors. theta energy: -103.132 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: 480 Temperature: 1.000000 Total energy: -1142.575100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.575100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.575100 (E_RNA) where: Base-Base interactions energy: -815.507 where: short stacking energy: -335.098 Base-Backbone interact. energy: 0.655 local terms energy: -327.722954 where: bonds (distance) C4'-P energy: -75.337 bonds (distance) P-C4' energy: -57.578 flat angles C4'-P-C4' energy: -65.633 flat angles P-C4'-P energy: -43.362 tors. eta vs tors. theta energy: -85.813 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: 5 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1061.913666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.913666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.913666 (E_RNA) where: Base-Base interactions energy: -736.880 where: short stacking energy: -312.107 Base-Backbone interact. energy: -0.897 local terms energy: -324.136065 where: bonds (distance) C4'-P energy: -47.969 bonds (distance) P-C4' energy: -64.687 flat angles C4'-P-C4' energy: -72.797 flat angles P-C4'-P energy: -51.342 tors. eta vs tors. theta energy: -87.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1008.778622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.778622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.778622 (E_RNA) where: Base-Base interactions energy: -718.331 where: short stacking energy: -274.052 Base-Backbone interact. energy: -1.580 local terms energy: -288.867720 where: bonds (distance) C4'-P energy: -52.943 bonds (distance) P-C4' energy: -60.909 flat angles C4'-P-C4' energy: -63.015 flat angles P-C4'-P energy: -40.888 tors. eta vs tors. theta energy: -71.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -939.011831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.011831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.011831 (E_RNA) where: Base-Base interactions energy: -633.491 where: short stacking energy: -277.553 Base-Backbone interact. energy: -0.791 local terms energy: -304.729476 where: bonds (distance) C4'-P energy: -58.049 bonds (distance) P-C4' energy: -68.989 flat angles C4'-P-C4' energy: -60.352 flat angles P-C4'-P energy: -43.739 tors. eta vs tors. theta energy: -73.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -918.022466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.022466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.022466 (E_RNA) where: Base-Base interactions energy: -641.405 where: short stacking energy: -259.689 Base-Backbone interact. energy: -1.739 local terms energy: -274.878597 where: bonds (distance) C4'-P energy: -49.228 bonds (distance) P-C4' energy: -70.681 flat angles C4'-P-C4' energy: -57.417 flat angles P-C4'-P energy: -35.339 tors. eta vs tors. theta energy: -62.214 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: 480 Temperature: 1.250000 Total energy: -846.308585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.308585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.308585 (E_RNA) where: Base-Base interactions energy: -578.718 where: short stacking energy: -252.791 Base-Backbone interact. energy: 0.006 local terms energy: -267.596916 where: bonds (distance) C4'-P energy: -51.090 bonds (distance) P-C4' energy: -55.853 flat angles C4'-P-C4' energy: -63.960 flat angles P-C4'-P energy: -36.897 tors. eta vs tors. theta energy: -59.796 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: 480 Temperature: 1.300000 Total energy: -632.571156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.571156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.571156 (E_RNA) where: Base-Base interactions energy: -408.458 where: short stacking energy: -199.463 Base-Backbone interact. energy: -0.993 local terms energy: -223.120327 where: bonds (distance) C4'-P energy: -50.467 bonds (distance) P-C4' energy: -52.709 flat angles C4'-P-C4' energy: -58.452 flat angles P-C4'-P energy: -29.705 tors. eta vs tors. theta energy: -31.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -528.101151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.101151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.101151 (E_RNA) where: Base-Base interactions energy: -303.066 where: short stacking energy: -140.493 Base-Backbone interact. energy: -2.608 local terms energy: -222.427046 where: bonds (distance) C4'-P energy: -62.248 bonds (distance) P-C4' energy: -54.546 flat angles C4'-P-C4' energy: -49.973 flat angles P-C4'-P energy: -37.616 tors. eta vs tors. theta energy: -18.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1199.798340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.798340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.798340 (E_RNA) where: Base-Base interactions energy: -858.929 where: short stacking energy: -355.683 Base-Backbone interact. energy: -1.149 local terms energy: -339.720296 where: bonds (distance) C4'-P energy: -52.867 bonds (distance) P-C4' energy: -73.163 flat angles C4'-P-C4' energy: -70.893 flat angles P-C4'-P energy: -54.244 tors. eta vs tors. theta energy: -88.553 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: 9 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1157.337283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.337283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.337283 (E_RNA) where: Base-Base interactions energy: -817.668 where: short stacking energy: -336.201 Base-Backbone interact. energy: -1.716 local terms energy: -337.953759 where: bonds (distance) C4'-P energy: -64.377 bonds (distance) P-C4' energy: -66.405 flat angles C4'-P-C4' energy: -69.891 flat angles P-C4'-P energy: -52.795 tors. eta vs tors. theta energy: -84.486 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: 4 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1156.567399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.567399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.567399 (E_RNA) where: Base-Base interactions energy: -785.644 where: short stacking energy: -350.735 Base-Backbone interact. energy: -1.129 local terms energy: -369.794796 where: bonds (distance) C4'-P energy: -62.679 bonds (distance) P-C4' energy: -66.899 flat angles C4'-P-C4' energy: -75.148 flat angles P-C4'-P energy: -59.183 tors. eta vs tors. theta energy: -105.885 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: 5 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1061.823954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.823954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.823954 (E_RNA) where: Base-Base interactions energy: -736.345 where: short stacking energy: -308.886 Base-Backbone interact. energy: -0.481 local terms energy: -324.997451 where: bonds (distance) C4'-P energy: -59.129 bonds (distance) P-C4' energy: -59.513 flat angles C4'-P-C4' energy: -70.969 flat angles P-C4'-P energy: -56.418 tors. eta vs tors. theta energy: -78.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1025.654905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.654905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.654905 (E_RNA) where: Base-Base interactions energy: -732.054 where: short stacking energy: -304.146 Base-Backbone interact. energy: 2.042 local terms energy: -295.643081 where: bonds (distance) C4'-P energy: -55.409 bonds (distance) P-C4' energy: -56.056 flat angles C4'-P-C4' energy: -62.347 flat angles P-C4'-P energy: -40.858 tors. eta vs tors. theta energy: -80.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -937.779123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.779123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.779123 (E_RNA) where: Base-Base interactions energy: -667.308 where: short stacking energy: -269.272 Base-Backbone interact. energy: -0.057 local terms energy: -270.414628 where: bonds (distance) C4'-P energy: -55.231 bonds (distance) P-C4' energy: -49.408 flat angles C4'-P-C4' energy: -61.083 flat angles P-C4'-P energy: -39.066 tors. eta vs tors. theta energy: -65.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -896.318809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.318809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.318809 (E_RNA) where: Base-Base interactions energy: -641.282 where: short stacking energy: -277.960 Base-Backbone interact. energy: 0.445 local terms energy: -255.481888 where: bonds (distance) C4'-P energy: -52.979 bonds (distance) P-C4' energy: -48.704 flat angles C4'-P-C4' energy: -49.494 flat angles P-C4'-P energy: -34.612 tors. eta vs tors. theta energy: -69.693 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: 8, replica: 8 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -838.091016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.091016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.091016 (E_RNA) where: Base-Base interactions energy: -583.020 where: short stacking energy: -235.758 Base-Backbone interact. energy: -0.617 local terms energy: -254.454083 where: bonds (distance) C4'-P energy: -55.629 bonds (distance) P-C4' energy: -60.013 flat angles C4'-P-C4' energy: -53.653 flat angles P-C4'-P energy: -36.525 tors. eta vs tors. theta energy: -48.634 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: 481 Temperature: 1.300000 Total energy: -649.694191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.694191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.694191 (E_RNA) where: Base-Base interactions energy: -423.882 where: short stacking energy: -199.462 Base-Backbone interact. energy: -2.055 local terms energy: -223.756563 where: bonds (distance) C4'-P energy: -51.403 bonds (distance) P-C4' energy: -41.393 flat angles C4'-P-C4' energy: -55.837 flat angles P-C4'-P energy: -42.006 tors. eta vs tors. theta energy: -33.117 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: 2 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -523.650157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.650157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.650157 (E_RNA) where: Base-Base interactions energy: -315.929 where: short stacking energy: -147.784 Base-Backbone interact. energy: -2.129 local terms energy: -205.592131 where: bonds (distance) C4'-P energy: -53.408 bonds (distance) P-C4' energy: -48.307 flat angles C4'-P-C4' energy: -49.185 flat angles P-C4'-P energy: -34.033 tors. eta vs tors. theta energy: -20.659 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: 10 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1222.284269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.284269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.284269 (E_RNA) where: Base-Base interactions energy: -876.400 where: short stacking energy: -356.240 Base-Backbone interact. energy: -0.382 local terms energy: -345.502523 where: bonds (distance) C4'-P energy: -67.748 bonds (distance) P-C4' energy: -63.552 flat angles C4'-P-C4' energy: -68.925 flat angles P-C4'-P energy: -53.588 tors. eta vs tors. theta energy: -91.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1147.804768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.804768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.804768 (E_RNA) where: Base-Base interactions energy: -809.518 where: short stacking energy: -354.344 Base-Backbone interact. energy: -2.978 local terms energy: -335.309495 where: bonds (distance) C4'-P energy: -57.474 bonds (distance) P-C4' energy: -63.085 flat angles C4'-P-C4' energy: -75.287 flat angles P-C4'-P energy: -46.054 tors. eta vs tors. theta energy: -93.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1129.563738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.563738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.563738 (E_RNA) where: Base-Base interactions energy: -801.767 where: short stacking energy: -364.759 Base-Backbone interact. energy: -1.619 local terms energy: -326.177228 where: bonds (distance) C4'-P energy: -55.333 bonds (distance) P-C4' energy: -48.175 flat angles C4'-P-C4' energy: -70.387 flat angles P-C4'-P energy: -49.761 tors. eta vs tors. theta energy: -102.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1067.883316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.883316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.883316 (E_RNA) where: Base-Base interactions energy: -754.478 where: short stacking energy: -329.514 Base-Backbone interact. energy: -1.144 local terms energy: -312.260531 where: bonds (distance) C4'-P energy: -55.355 bonds (distance) P-C4' energy: -57.640 flat angles C4'-P-C4' energy: -72.185 flat angles P-C4'-P energy: -44.007 tors. eta vs tors. theta energy: -83.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1025.679320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.679320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.679320 (E_RNA) where: Base-Base interactions energy: -728.354 where: short stacking energy: -296.163 Base-Backbone interact. energy: -1.956 local terms energy: -295.368854 where: bonds (distance) C4'-P energy: -54.447 bonds (distance) P-C4' energy: -62.938 flat angles C4'-P-C4' energy: -64.227 flat angles P-C4'-P energy: -37.016 tors. eta vs tors. theta energy: -76.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -934.986574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.986574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.986574 (E_RNA) where: Base-Base interactions energy: -647.497 where: short stacking energy: -272.896 Base-Backbone interact. energy: 0.843 local terms energy: -288.331847 where: bonds (distance) C4'-P energy: -51.868 bonds (distance) P-C4' energy: -63.150 flat angles C4'-P-C4' energy: -60.034 flat angles P-C4'-P energy: -46.008 tors. eta vs tors. theta energy: -67.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -905.789649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.789649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.789649 (E_RNA) where: Base-Base interactions energy: -621.764 where: short stacking energy: -270.739 Base-Backbone interact. energy: -0.203 local terms energy: -283.822298 where: bonds (distance) C4'-P energy: -51.583 bonds (distance) P-C4' energy: -60.171 flat angles C4'-P-C4' energy: -61.665 flat angles P-C4'-P energy: -45.842 tors. eta vs tors. theta energy: -64.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -840.461051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.461051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.461051 (E_RNA) where: Base-Base interactions energy: -597.697 where: short stacking energy: -236.281 Base-Backbone interact. energy: 5.064 local terms energy: -247.828048 where: bonds (distance) C4'-P energy: -55.230 bonds (distance) P-C4' energy: -42.676 flat angles C4'-P-C4' energy: -56.760 flat angles P-C4'-P energy: -41.960 tors. eta vs tors. theta energy: -51.202 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: 3 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -657.329307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.329307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.329307 (E_RNA) where: Base-Base interactions energy: -425.408 where: short stacking energy: -217.861 Base-Backbone interact. energy: -0.470 local terms energy: -231.452070 where: bonds (distance) C4'-P energy: -52.344 bonds (distance) P-C4' energy: -42.711 flat angles C4'-P-C4' energy: -57.361 flat angles P-C4'-P energy: -31.307 tors. eta vs tors. theta energy: -47.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -548.512875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.512875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.512875 (E_RNA) where: Base-Base interactions energy: -318.648 where: short stacking energy: -168.801 Base-Backbone interact. energy: -1.879 local terms energy: -227.986619 where: bonds (distance) C4'-P energy: -48.408 bonds (distance) P-C4' energy: -52.932 flat angles C4'-P-C4' energy: -66.135 flat angles P-C4'-P energy: -37.839 tors. eta vs tors. theta energy: -22.672 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: 10 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1201.511646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.511646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.511646 (E_RNA) where: Base-Base interactions energy: -871.576 where: short stacking energy: -335.547 Base-Backbone interact. energy: -1.873 local terms energy: -328.063034 where: bonds (distance) C4'-P energy: -61.680 bonds (distance) P-C4' energy: -56.147 flat angles C4'-P-C4' energy: -68.287 flat angles P-C4'-P energy: -50.125 tors. eta vs tors. theta energy: -91.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1149.511158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.511158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.511158 (E_RNA) where: Base-Base interactions energy: -801.246 where: short stacking energy: -339.347 Base-Backbone interact. energy: 1.040 local terms energy: -349.305148 where: bonds (distance) C4'-P energy: -58.944 bonds (distance) P-C4' energy: -71.863 flat angles C4'-P-C4' energy: -77.844 flat angles P-C4'-P energy: -50.361 tors. eta vs tors. theta energy: -90.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1131.703320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.703320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.703320 (E_RNA) where: Base-Base interactions energy: -783.116 where: short stacking energy: -340.442 Base-Backbone interact. energy: -0.432 local terms energy: -348.155585 where: bonds (distance) C4'-P energy: -68.411 bonds (distance) P-C4' energy: -56.061 flat angles C4'-P-C4' energy: -68.890 flat angles P-C4'-P energy: -49.766 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: 4, replica: 5 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1093.315713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.315713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.315713 (E_RNA) where: Base-Base interactions energy: -777.553 where: short stacking energy: -330.792 Base-Backbone interact. energy: -1.664 local terms energy: -314.098431 where: bonds (distance) C4'-P energy: -53.907 bonds (distance) P-C4' energy: -52.605 flat angles C4'-P-C4' energy: -65.899 flat angles P-C4'-P energy: -55.718 tors. eta vs tors. theta energy: -85.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1025.615385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.615385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.615385 (E_RNA) where: Base-Base interactions energy: -725.243 where: short stacking energy: -292.821 Base-Backbone interact. energy: -0.046 local terms energy: -300.326909 where: bonds (distance) C4'-P energy: -58.562 bonds (distance) P-C4' energy: -55.286 flat angles C4'-P-C4' energy: -65.152 flat angles P-C4'-P energy: -46.894 tors. eta vs tors. theta energy: -74.432 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: 6 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -943.281224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.281224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.281224 (E_RNA) where: Base-Base interactions energy: -649.595 where: short stacking energy: -261.868 Base-Backbone interact. energy: -2.028 local terms energy: -291.658379 where: bonds (distance) C4'-P energy: -58.462 bonds (distance) P-C4' energy: -59.859 flat angles C4'-P-C4' energy: -65.319 flat angles P-C4'-P energy: -32.093 tors. eta vs tors. theta energy: -75.926 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: 7, replica: 7 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -934.642427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.642427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.642427 (E_RNA) where: Base-Base interactions energy: -652.140 where: short stacking energy: -278.496 Base-Backbone interact. energy: -2.450 local terms energy: -280.052589 where: bonds (distance) C4'-P energy: -57.963 bonds (distance) P-C4' energy: -37.061 flat angles C4'-P-C4' energy: -70.310 flat angles P-C4'-P energy: -48.228 tors. eta vs tors. theta energy: -66.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -826.575776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.575776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.575776 (E_RNA) where: Base-Base interactions energy: -560.116 where: short stacking energy: -247.686 Base-Backbone interact. energy: -2.120 local terms energy: -264.339792 where: bonds (distance) C4'-P energy: -55.658 bonds (distance) P-C4' energy: -60.318 flat angles C4'-P-C4' energy: -59.713 flat angles P-C4'-P energy: -37.854 tors. eta vs tors. theta energy: -50.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -661.602526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.602526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.602526 (E_RNA) where: Base-Base interactions energy: -453.401 where: short stacking energy: -208.140 Base-Backbone interact. energy: -0.503 local terms energy: -207.698196 where: bonds (distance) C4'-P energy: -47.403 bonds (distance) P-C4' energy: -47.894 flat angles C4'-P-C4' energy: -58.963 flat angles P-C4'-P energy: -24.182 tors. eta vs tors. theta energy: -29.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -529.089482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.089482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.089482 (E_RNA) where: Base-Base interactions energy: -319.482 where: short stacking energy: -154.800 Base-Backbone interact. energy: 2.027 local terms energy: -211.634351 where: bonds (distance) C4'-P energy: -54.543 bonds (distance) P-C4' energy: -53.070 flat angles C4'-P-C4' energy: -46.687 flat angles P-C4'-P energy: -35.198 tors. eta vs tors. theta energy: -22.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1209.390978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.390978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.390978 (E_RNA) where: Base-Base interactions energy: -856.378 where: short stacking energy: -347.155 Base-Backbone interact. energy: -1.801 local terms energy: -351.211894 where: bonds (distance) C4'-P energy: -65.666 bonds (distance) P-C4' energy: -71.717 flat angles C4'-P-C4' energy: -70.986 flat angles P-C4'-P energy: -46.844 tors. eta vs tors. theta energy: -95.998 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: 9 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1149.406558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.406558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.406558 (E_RNA) where: Base-Base interactions energy: -817.483 where: short stacking energy: -332.256 Base-Backbone interact. energy: 1.892 local terms energy: -333.815229 where: bonds (distance) C4'-P energy: -57.838 bonds (distance) P-C4' energy: -70.592 flat angles C4'-P-C4' energy: -75.801 flat angles P-C4'-P energy: -46.576 tors. eta vs tors. theta energy: -83.007 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: 4 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1151.807673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.807673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.807673 (E_RNA) where: Base-Base interactions energy: -804.308 where: short stacking energy: -342.653 Base-Backbone interact. energy: -0.910 local terms energy: -346.590207 where: bonds (distance) C4'-P energy: -60.245 bonds (distance) P-C4' energy: -69.874 flat angles C4'-P-C4' energy: -64.205 flat angles P-C4'-P energy: -51.632 tors. eta vs tors. theta energy: -100.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1088.078780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.078780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.078780 (E_RNA) where: Base-Base interactions energy: -783.349 where: short stacking energy: -319.983 Base-Backbone interact. energy: -1.010 local terms energy: -303.718895 where: bonds (distance) C4'-P energy: -60.989 bonds (distance) P-C4' energy: -60.248 flat angles C4'-P-C4' energy: -59.031 flat angles P-C4'-P energy: -48.016 tors. eta vs tors. theta energy: -75.434 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: 1 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1029.007181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.007181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.007181 (E_RNA) where: Base-Base interactions energy: -738.899 where: short stacking energy: -292.542 Base-Backbone interact. energy: -1.804 local terms energy: -288.303512 where: bonds (distance) C4'-P energy: -60.770 bonds (distance) P-C4' energy: -42.708 flat angles C4'-P-C4' energy: -78.640 flat angles P-C4'-P energy: -34.998 tors. eta vs tors. theta energy: -71.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -922.978517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.978517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.978517 (E_RNA) where: Base-Base interactions energy: -618.391 where: short stacking energy: -259.130 Base-Backbone interact. energy: 0.951 local terms energy: -305.538276 where: bonds (distance) C4'-P energy: -60.847 bonds (distance) P-C4' energy: -63.170 flat angles C4'-P-C4' energy: -76.301 flat angles P-C4'-P energy: -49.639 tors. eta vs tors. theta energy: -55.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -904.747470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.747470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.747470 (E_RNA) where: Base-Base interactions energy: -624.161 where: short stacking energy: -271.070 Base-Backbone interact. energy: -0.484 local terms energy: -280.102829 where: bonds (distance) C4'-P energy: -54.945 bonds (distance) P-C4' energy: -54.923 flat angles C4'-P-C4' energy: -58.335 flat angles P-C4'-P energy: -45.140 tors. eta vs tors. theta energy: -66.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -816.441906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.441906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.441906 (E_RNA) where: Base-Base interactions energy: -553.110 where: short stacking energy: -244.760 Base-Backbone interact. energy: -1.676 local terms energy: -261.655839 where: bonds (distance) C4'-P energy: -47.780 bonds (distance) P-C4' energy: -57.899 flat angles C4'-P-C4' energy: -63.181 flat angles P-C4'-P energy: -36.830 tors. eta vs tors. theta energy: -55.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -689.281243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.281243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.281243 (E_RNA) where: Base-Base interactions energy: -468.132 where: short stacking energy: -217.407 Base-Backbone interact. energy: -2.704 local terms energy: -218.445862 where: bonds (distance) C4'-P energy: -40.639 bonds (distance) P-C4' energy: -58.786 flat angles C4'-P-C4' energy: -48.962 flat angles P-C4'-P energy: -26.416 tors. eta vs tors. theta energy: -43.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -538.254986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.254986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.254986 (E_RNA) where: Base-Base interactions energy: -331.009 where: short stacking energy: -158.744 Base-Backbone interact. energy: -1.463 local terms energy: -205.783334 where: bonds (distance) C4'-P energy: -49.788 bonds (distance) P-C4' energy: -51.966 flat angles C4'-P-C4' energy: -54.030 flat angles P-C4'-P energy: -28.225 tors. eta vs tors. theta energy: -21.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1198.297605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.297605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.297605 (E_RNA) where: Base-Base interactions energy: -856.442 where: short stacking energy: -332.513 Base-Backbone interact. energy: -2.075 local terms energy: -339.780852 where: bonds (distance) C4'-P energy: -67.170 bonds (distance) P-C4' energy: -69.678 flat angles C4'-P-C4' energy: -63.421 flat angles P-C4'-P energy: -53.171 tors. eta vs tors. theta energy: -86.341 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: 4 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1174.323607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.323607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.323607 (E_RNA) where: Base-Base interactions energy: -820.135 where: short stacking energy: -337.309 Base-Backbone interact. energy: -1.222 local terms energy: -352.966875 where: bonds (distance) C4'-P energy: -59.072 bonds (distance) P-C4' energy: -68.121 flat angles C4'-P-C4' energy: -74.244 flat angles P-C4'-P energy: -54.313 tors. eta vs tors. theta energy: -97.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1124.988506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.988506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.988506 (E_RNA) where: Base-Base interactions energy: -793.717 where: short stacking energy: -327.076 Base-Backbone interact. energy: 0.155 local terms energy: -331.426662 where: bonds (distance) C4'-P energy: -61.090 bonds (distance) P-C4' energy: -62.395 flat angles C4'-P-C4' energy: -73.187 flat angles P-C4'-P energy: -46.997 tors. eta vs tors. theta energy: -87.757 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: 5 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1061.357702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.357702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.357702 (E_RNA) where: Base-Base interactions energy: -743.954 where: short stacking energy: -321.811 Base-Backbone interact. energy: -0.745 local terms energy: -316.658386 where: bonds (distance) C4'-P energy: -54.688 bonds (distance) P-C4' energy: -67.594 flat angles C4'-P-C4' energy: -66.896 flat angles P-C4'-P energy: -46.826 tors. eta vs tors. theta energy: -80.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1050.148324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.148324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.148324 (E_RNA) where: Base-Base interactions energy: -741.249 where: short stacking energy: -309.980 Base-Backbone interact. energy: -2.731 local terms energy: -306.168352 where: bonds (distance) C4'-P energy: -62.056 bonds (distance) P-C4' energy: -58.569 flat angles C4'-P-C4' energy: -64.019 flat angles P-C4'-P energy: -46.365 tors. eta vs tors. theta energy: -75.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -967.982131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.982131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.982131 (E_RNA) where: Base-Base interactions energy: -664.753 where: short stacking energy: -285.362 Base-Backbone interact. energy: -1.010 local terms energy: -302.218840 where: bonds (distance) C4'-P energy: -51.898 bonds (distance) P-C4' energy: -58.060 flat angles C4'-P-C4' energy: -63.469 flat angles P-C4'-P energy: -45.761 tors. eta vs tors. theta energy: -83.031 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: 6 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -918.632334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.632334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.632334 (E_RNA) where: Base-Base interactions energy: -633.186 where: short stacking energy: -257.029 Base-Backbone interact. energy: -1.793 local terms energy: -283.653241 where: bonds (distance) C4'-P energy: -58.408 bonds (distance) P-C4' energy: -59.818 flat angles C4'-P-C4' energy: -60.852 flat angles P-C4'-P energy: -37.429 tors. eta vs tors. theta energy: -67.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -800.156736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.156736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.156736 (E_RNA) where: Base-Base interactions energy: -541.715 where: short stacking energy: -233.864 Base-Backbone interact. energy: -0.654 local terms energy: -257.787446 where: bonds (distance) C4'-P energy: -64.800 bonds (distance) P-C4' energy: -45.395 flat angles C4'-P-C4' energy: -55.481 flat angles P-C4'-P energy: -34.829 tors. eta vs tors. theta energy: -57.283 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: 3 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -672.163862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.163862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.163862 (E_RNA) where: Base-Base interactions energy: -426.026 where: short stacking energy: -177.416 Base-Backbone interact. energy: -0.788 local terms energy: -245.349129 where: bonds (distance) C4'-P energy: -52.657 bonds (distance) P-C4' energy: -64.831 flat angles C4'-P-C4' energy: -53.845 flat angles P-C4'-P energy: -45.187 tors. eta vs tors. theta energy: -28.829 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: 10, replica: 2 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -561.904314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.904314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.904314 (E_RNA) where: Base-Base interactions energy: -351.818 where: short stacking energy: -141.960 Base-Backbone interact. energy: 1.610 local terms energy: -211.696281 where: bonds (distance) C4'-P energy: -62.207 bonds (distance) P-C4' energy: -53.946 flat angles C4'-P-C4' energy: -52.077 flat angles P-C4'-P energy: -23.852 tors. eta vs tors. theta energy: -19.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1187.504437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.504437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.504437 (E_RNA) where: Base-Base interactions energy: -830.398 where: short stacking energy: -352.198 Base-Backbone interact. energy: -2.562 local terms energy: -354.544446 where: bonds (distance) C4'-P energy: -60.179 bonds (distance) P-C4' energy: -72.998 flat angles C4'-P-C4' energy: -68.518 flat angles P-C4'-P energy: -48.043 tors. eta vs tors. theta energy: -104.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1175.168664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.168664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.168664 (E_RNA) where: Base-Base interactions energy: -833.202 where: short stacking energy: -339.169 Base-Backbone interact. energy: 0.582 local terms energy: -342.548396 where: bonds (distance) C4'-P energy: -64.163 bonds (distance) P-C4' energy: -58.881 flat angles C4'-P-C4' energy: -75.467 flat angles P-C4'-P energy: -53.719 tors. eta vs tors. theta energy: -90.318 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: 9 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1139.720336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.720336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.720336 (E_RNA) where: Base-Base interactions energy: -816.137 where: short stacking energy: -354.816 Base-Backbone interact. energy: -1.448 local terms energy: -322.135775 where: bonds (distance) C4'-P energy: -62.035 bonds (distance) P-C4' energy: -59.435 flat angles C4'-P-C4' energy: -71.332 flat angles P-C4'-P energy: -38.222 tors. eta vs tors. theta energy: -91.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1092.253867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.253867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.253867 (E_RNA) where: Base-Base interactions energy: -773.265 where: short stacking energy: -343.160 Base-Backbone interact. energy: -0.443 local terms energy: -318.546043 where: bonds (distance) C4'-P energy: -46.066 bonds (distance) P-C4' energy: -61.324 flat angles C4'-P-C4' energy: -71.050 flat angles P-C4'-P energy: -50.212 tors. eta vs tors. theta energy: -89.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1023.891046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.891046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.891046 (E_RNA) where: Base-Base interactions energy: -714.410 where: short stacking energy: -300.577 Base-Backbone interact. energy: 0.294 local terms energy: -309.775705 where: bonds (distance) C4'-P energy: -57.639 bonds (distance) P-C4' energy: -68.422 flat angles C4'-P-C4' energy: -66.665 flat angles P-C4'-P energy: -41.572 tors. eta vs tors. theta energy: -75.477 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: 7 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -986.665068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.665068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.665068 (E_RNA) where: Base-Base interactions energy: -692.458 where: short stacking energy: -313.872 Base-Backbone interact. energy: -1.190 local terms energy: -293.016740 where: bonds (distance) C4'-P energy: -43.031 bonds (distance) P-C4' energy: -65.815 flat angles C4'-P-C4' energy: -55.362 flat angles P-C4'-P energy: -46.744 tors. eta vs tors. theta energy: -82.066 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: 6 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -909.398285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.398285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.398285 (E_RNA) where: Base-Base interactions energy: -634.225 where: short stacking energy: -281.575 Base-Backbone interact. energy: -1.505 local terms energy: -273.669109 where: bonds (distance) C4'-P energy: -45.775 bonds (distance) P-C4' energy: -64.641 flat angles C4'-P-C4' energy: -57.863 flat angles P-C4'-P energy: -45.008 tors. eta vs tors. theta energy: -60.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -806.963978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.963978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.963978 (E_RNA) where: Base-Base interactions energy: -552.427 where: short stacking energy: -233.283 Base-Backbone interact. energy: 1.112 local terms energy: -255.649016 where: bonds (distance) C4'-P energy: -48.918 bonds (distance) P-C4' energy: -62.721 flat angles C4'-P-C4' energy: -56.912 flat angles P-C4'-P energy: -41.006 tors. eta vs tors. theta energy: -46.092 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: 9, replica: 3 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -656.280297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.280297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.280297 (E_RNA) where: Base-Base interactions energy: -418.945 where: short stacking energy: -187.763 Base-Backbone interact. energy: -0.823 local terms energy: -236.512307 where: bonds (distance) C4'-P energy: -49.363 bonds (distance) P-C4' energy: -45.468 flat angles C4'-P-C4' energy: -61.202 flat angles P-C4'-P energy: -37.552 tors. eta vs tors. theta energy: -42.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -527.377791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.377791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.377791 (E_RNA) where: Base-Base interactions energy: -347.794 where: short stacking energy: -149.337 Base-Backbone interact. energy: -1.602 local terms energy: -177.982221 where: bonds (distance) C4'-P energy: -56.323 bonds (distance) P-C4' energy: -51.109 flat angles C4'-P-C4' energy: -44.843 flat angles P-C4'-P energy: -20.173 tors. eta vs tors. theta energy: -5.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1205.246034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.246034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.246034 (E_RNA) where: Base-Base interactions energy: -839.509 where: short stacking energy: -371.704 Base-Backbone interact. energy: -0.414 local terms energy: -365.323397 where: bonds (distance) C4'-P energy: -65.225 bonds (distance) P-C4' energy: -59.753 flat angles C4'-P-C4' energy: -79.287 flat angles P-C4'-P energy: -51.211 tors. eta vs tors. theta energy: -109.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1196.453377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.453377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.453377 (E_RNA) where: Base-Base interactions energy: -852.889 where: short stacking energy: -338.138 Base-Backbone interact. energy: -1.557 local terms energy: -342.006891 where: bonds (distance) C4'-P energy: -68.768 bonds (distance) P-C4' energy: -61.901 flat angles C4'-P-C4' energy: -72.884 flat angles P-C4'-P energy: -51.116 tors. eta vs tors. theta energy: -87.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1121.843887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.843887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.843887 (E_RNA) where: Base-Base interactions energy: -789.822 where: short stacking energy: -335.292 Base-Backbone interact. energy: -0.078 local terms energy: -331.943080 where: bonds (distance) C4'-P energy: -63.583 bonds (distance) P-C4' energy: -59.300 flat angles C4'-P-C4' energy: -67.022 flat angles P-C4'-P energy: -48.126 tors. eta vs tors. theta energy: -93.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1096.508307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.508307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.508307 (E_RNA) where: Base-Base interactions energy: -764.924 where: short stacking energy: -323.732 Base-Backbone interact. energy: -2.225 local terms energy: -329.358973 where: bonds (distance) C4'-P energy: -57.542 bonds (distance) P-C4' energy: -63.944 flat angles C4'-P-C4' energy: -64.289 flat angles P-C4'-P energy: -53.977 tors. eta vs tors. theta energy: -89.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1025.843514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.843514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.843514 (E_RNA) where: Base-Base interactions energy: -718.815 where: short stacking energy: -302.921 Base-Backbone interact. energy: -0.750 local terms energy: -306.278021 where: bonds (distance) C4'-P energy: -58.389 bonds (distance) P-C4' energy: -59.932 flat angles C4'-P-C4' energy: -63.089 flat angles P-C4'-P energy: -50.631 tors. eta vs tors. theta energy: -74.237 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: 7 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -958.679509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.679509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.679509 (E_RNA) where: Base-Base interactions energy: -670.083 where: short stacking energy: -287.070 Base-Backbone interact. energy: 1.864 local terms energy: -290.460336 where: bonds (distance) C4'-P energy: -49.045 bonds (distance) P-C4' energy: -57.300 flat angles C4'-P-C4' energy: -62.324 flat angles P-C4'-P energy: -46.828 tors. eta vs tors. theta energy: -74.963 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: 7, replica: 6 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -917.430834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.430834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.430834 (E_RNA) where: Base-Base interactions energy: -632.554 where: short stacking energy: -260.620 Base-Backbone interact. energy: 1.009 local terms energy: -285.886401 where: bonds (distance) C4'-P energy: -62.343 bonds (distance) P-C4' energy: -58.717 flat angles C4'-P-C4' energy: -63.263 flat angles P-C4'-P energy: -39.439 tors. eta vs tors. theta energy: -62.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -814.579350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.579350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.579350 (E_RNA) where: Base-Base interactions energy: -558.067 where: short stacking energy: -229.420 Base-Backbone interact. energy: -1.272 local terms energy: -255.240060 where: bonds (distance) C4'-P energy: -53.170 bonds (distance) P-C4' energy: -67.161 flat angles C4'-P-C4' energy: -64.796 flat angles P-C4'-P energy: -32.400 tors. eta vs tors. theta energy: -37.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -669.112942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.112942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.112942 (E_RNA) where: Base-Base interactions energy: -444.369 where: short stacking energy: -203.241 Base-Backbone interact. energy: -1.230 local terms energy: -223.513648 where: bonds (distance) C4'-P energy: -47.789 bonds (distance) P-C4' energy: -53.527 flat angles C4'-P-C4' energy: -44.661 flat angles P-C4'-P energy: -36.663 tors. eta vs tors. theta energy: -40.874 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: 2 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -537.901180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.901180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.901180 (E_RNA) where: Base-Base interactions energy: -330.356 where: short stacking energy: -160.215 Base-Backbone interact. energy: 1.792 local terms energy: -209.337791 where: bonds (distance) C4'-P energy: -53.813 bonds (distance) P-C4' energy: -56.354 flat angles C4'-P-C4' energy: -54.004 flat angles P-C4'-P energy: -27.852 tors. eta vs tors. theta energy: -17.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1214.000810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.000810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.000810 (E_RNA) where: Base-Base interactions energy: -870.798 where: short stacking energy: -344.766 Base-Backbone interact. energy: -2.752 local terms energy: -340.450495 where: bonds (distance) C4'-P energy: -53.987 bonds (distance) P-C4' energy: -70.766 flat angles C4'-P-C4' energy: -74.596 flat angles P-C4'-P energy: -53.634 tors. eta vs tors. theta energy: -87.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1163.598349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.598349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.598349 (E_RNA) where: Base-Base interactions energy: -798.170 where: short stacking energy: -359.692 Base-Backbone interact. energy: -1.188 local terms energy: -364.240212 where: bonds (distance) C4'-P energy: -66.515 bonds (distance) P-C4' energy: -66.556 flat angles C4'-P-C4' energy: -72.080 flat angles P-C4'-P energy: -49.704 tors. eta vs tors. theta energy: -109.384 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: 9 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1138.296388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.296388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.296388 (E_RNA) where: Base-Base interactions energy: -829.374 where: short stacking energy: -354.299 Base-Backbone interact. energy: -1.406 local terms energy: -307.515588 where: bonds (distance) C4'-P energy: -62.089 bonds (distance) P-C4' energy: -64.306 flat angles C4'-P-C4' energy: -62.893 flat angles P-C4'-P energy: -31.993 tors. eta vs tors. theta energy: -86.235 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: 5 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1094.543769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.543769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.543769 (E_RNA) where: Base-Base interactions energy: -767.951 where: short stacking energy: -325.546 Base-Backbone interact. energy: -2.620 local terms energy: -323.973505 where: bonds (distance) C4'-P energy: -56.273 bonds (distance) P-C4' energy: -50.739 flat angles C4'-P-C4' energy: -75.780 flat angles P-C4'-P energy: -53.215 tors. eta vs tors. theta energy: -87.967 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: 488 Temperature: 1.100000 Total energy: -990.058243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.058243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.058243 (E_RNA) where: Base-Base interactions energy: -686.300 where: short stacking energy: -322.172 Base-Backbone interact. energy: -1.486 local terms energy: -302.272785 where: bonds (distance) C4'-P energy: -48.416 bonds (distance) P-C4' energy: -59.912 flat angles C4'-P-C4' energy: -63.297 flat angles P-C4'-P energy: -47.549 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: 6, replica: 1 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -951.076018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.076018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.076018 (E_RNA) where: Base-Base interactions energy: -679.155 where: short stacking energy: -273.392 Base-Backbone interact. energy: 2.323 local terms energy: -274.243738 where: bonds (distance) C4'-P energy: -53.778 bonds (distance) P-C4' energy: -45.358 flat angles C4'-P-C4' energy: -64.935 flat angles P-C4'-P energy: -42.024 tors. eta vs tors. theta energy: -68.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -867.057131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.057131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.057131 (E_RNA) where: Base-Base interactions energy: -607.144 where: short stacking energy: -253.129 Base-Backbone interact. energy: 2.800 local terms energy: -262.712613 where: bonds (distance) C4'-P energy: -57.847 bonds (distance) P-C4' energy: -52.726 flat angles C4'-P-C4' energy: -56.952 flat angles P-C4'-P energy: -38.685 tors. eta vs tors. theta energy: -56.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -781.383869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.383869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.383869 (E_RNA) where: Base-Base interactions energy: -541.473 where: short stacking energy: -222.383 Base-Backbone interact. energy: -1.007 local terms energy: -238.904167 where: bonds (distance) C4'-P energy: -48.823 bonds (distance) P-C4' energy: -55.926 flat angles C4'-P-C4' energy: -55.608 flat angles P-C4'-P energy: -33.753 tors. eta vs tors. theta energy: -44.795 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: 488 Temperature: 1.300000 Total energy: -700.608316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.608316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.608316 (E_RNA) where: Base-Base interactions energy: -488.119 where: short stacking energy: -218.615 Base-Backbone interact. energy: 0.569 local terms energy: -213.057935 where: bonds (distance) C4'-P energy: -49.840 bonds (distance) P-C4' energy: -42.926 flat angles C4'-P-C4' energy: -54.447 flat angles P-C4'-P energy: -23.740 tors. eta vs tors. theta energy: -42.106 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: 2 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -514.608580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.608580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.608580 (E_RNA) where: Base-Base interactions energy: -299.273 where: short stacking energy: -142.443 Base-Backbone interact. energy: -0.566 local terms energy: -214.769406 where: bonds (distance) C4'-P energy: -58.469 bonds (distance) P-C4' energy: -51.395 flat angles C4'-P-C4' energy: -48.555 flat angles P-C4'-P energy: -35.713 tors. eta vs tors. theta energy: -20.637 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: 1, replica: 10 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1209.436671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.436671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.436671 (E_RNA) where: Base-Base interactions energy: -861.467 where: short stacking energy: -356.689 Base-Backbone interact. energy: -1.284 local terms energy: -346.685702 where: bonds (distance) C4'-P energy: -51.620 bonds (distance) P-C4' energy: -73.794 flat angles C4'-P-C4' energy: -77.765 flat angles P-C4'-P energy: -48.186 tors. eta vs tors. theta energy: -95.321 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: 4 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1169.820848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.820848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.820848 (E_RNA) where: Base-Base interactions energy: -816.040 where: short stacking energy: -366.355 Base-Backbone interact. energy: -0.364 local terms energy: -353.416914 where: bonds (distance) C4'-P energy: -62.395 bonds (distance) P-C4' energy: -65.642 flat angles C4'-P-C4' energy: -69.242 flat angles P-C4'-P energy: -48.642 tors. eta vs tors. theta energy: -107.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1125.774367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.774367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.774367 (E_RNA) where: Base-Base interactions energy: -802.803 where: short stacking energy: -346.184 Base-Backbone interact. energy: -2.653 local terms energy: -320.318325 where: bonds (distance) C4'-P energy: -58.640 bonds (distance) P-C4' energy: -63.507 flat angles C4'-P-C4' energy: -66.459 flat angles P-C4'-P energy: -37.853 tors. eta vs tors. theta energy: -93.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1073.295028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.295028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.295028 (E_RNA) where: Base-Base interactions energy: -762.366 where: short stacking energy: -334.674 Base-Backbone interact. energy: -0.919 local terms energy: -310.009640 where: bonds (distance) C4'-P energy: -47.210 bonds (distance) P-C4' energy: -56.263 flat angles C4'-P-C4' energy: -69.018 flat angles P-C4'-P energy: -47.595 tors. eta vs tors. theta energy: -89.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -985.105248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.105248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.105248 (E_RNA) where: Base-Base interactions energy: -687.042 where: short stacking energy: -301.428 Base-Backbone interact. energy: 2.275 local terms energy: -300.338206 where: bonds (distance) C4'-P energy: -51.266 bonds (distance) P-C4' energy: -54.417 flat angles C4'-P-C4' energy: -66.452 flat angles P-C4'-P energy: -42.217 tors. eta vs tors. theta energy: -85.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -971.247301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.247301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.247301 (E_RNA) where: Base-Base interactions energy: -690.098 where: short stacking energy: -288.476 Base-Backbone interact. energy: -0.939 local terms energy: -280.210111 where: bonds (distance) C4'-P energy: -47.979 bonds (distance) P-C4' energy: -64.769 flat angles C4'-P-C4' energy: -57.802 flat angles P-C4'-P energy: -42.550 tors. eta vs tors. theta energy: -67.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -917.873503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.873503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.873503 (E_RNA) where: Base-Base interactions energy: -638.041 where: short stacking energy: -276.671 Base-Backbone interact. energy: -2.261 local terms energy: -277.572417 where: bonds (distance) C4'-P energy: -55.478 bonds (distance) P-C4' energy: -66.188 flat angles C4'-P-C4' energy: -58.648 flat angles P-C4'-P energy: -27.759 tors. eta vs tors. theta energy: -69.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -811.096599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.096599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.096599 (E_RNA) where: Base-Base interactions energy: -552.425 where: short stacking energy: -221.329 Base-Backbone interact. energy: 2.800 local terms energy: -261.472117 where: bonds (distance) C4'-P energy: -56.471 bonds (distance) P-C4' energy: -67.107 flat angles C4'-P-C4' energy: -57.820 flat angles P-C4'-P energy: -29.006 tors. eta vs tors. theta energy: -51.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -669.296567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.296567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.296567 (E_RNA) where: Base-Base interactions energy: -427.718 where: short stacking energy: -174.406 Base-Backbone interact. energy: -0.923 local terms energy: -240.655419 where: bonds (distance) C4'-P energy: -50.653 bonds (distance) P-C4' energy: -65.213 flat angles C4'-P-C4' energy: -56.392 flat angles P-C4'-P energy: -34.804 tors. eta vs tors. theta energy: -33.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -507.715264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.715264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.715264 (E_RNA) where: Base-Base interactions energy: -304.830 where: short stacking energy: -154.035 Base-Backbone interact. energy: -0.336 local terms energy: -202.548965 where: bonds (distance) C4'-P energy: -54.337 bonds (distance) P-C4' energy: -45.869 flat angles C4'-P-C4' energy: -42.213 flat angles P-C4'-P energy: -35.722 tors. eta vs tors. theta energy: -24.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1191.490248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.490248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.490248 (E_RNA) where: Base-Base interactions energy: -812.432 where: short stacking energy: -361.348 Base-Backbone interact. energy: -0.961 local terms energy: -378.097606 where: bonds (distance) C4'-P energy: -71.677 bonds (distance) P-C4' energy: -75.276 flat angles C4'-P-C4' energy: -72.422 flat angles P-C4'-P energy: -48.093 tors. eta vs tors. theta energy: -110.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1202.883974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.883974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.883974 (E_RNA) where: Base-Base interactions energy: -874.645 where: short stacking energy: -347.221 Base-Backbone interact. energy: -3.042 local terms energy: -325.196096 where: bonds (distance) C4'-P energy: -61.898 bonds (distance) P-C4' energy: -60.210 flat angles C4'-P-C4' energy: -73.580 flat angles P-C4'-P energy: -44.462 tors. eta vs tors. theta energy: -85.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1148.090534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.090534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.090534 (E_RNA) where: Base-Base interactions energy: -816.705 where: short stacking energy: -358.417 Base-Backbone interact. energy: -1.960 local terms energy: -329.425545 where: bonds (distance) C4'-P energy: -63.430 bonds (distance) P-C4' energy: -59.663 flat angles C4'-P-C4' energy: -66.807 flat angles P-C4'-P energy: -47.116 tors. eta vs tors. theta energy: -92.409 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: 5 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1082.539569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.539569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.539569 (E_RNA) where: Base-Base interactions energy: -764.066 where: short stacking energy: -329.472 Base-Backbone interact. energy: -2.211 local terms energy: -316.262180 where: bonds (distance) C4'-P energy: -58.243 bonds (distance) P-C4' energy: -54.476 flat angles C4'-P-C4' energy: -64.660 flat angles P-C4'-P energy: -48.466 tors. eta vs tors. theta energy: -90.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1002.438715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.438715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.438715 (E_RNA) where: Base-Base interactions energy: -710.817 where: short stacking energy: -317.761 Base-Backbone interact. energy: -2.596 local terms energy: -289.025887 where: bonds (distance) C4'-P energy: -49.366 bonds (distance) P-C4' energy: -40.429 flat angles C4'-P-C4' energy: -76.325 flat angles P-C4'-P energy: -34.470 tors. eta vs tors. theta energy: -88.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1005.644935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.644935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.644935 (E_RNA) where: Base-Base interactions energy: -709.374 where: short stacking energy: -300.317 Base-Backbone interact. energy: -0.872 local terms energy: -295.398679 where: bonds (distance) C4'-P energy: -62.369 bonds (distance) P-C4' energy: -55.717 flat angles C4'-P-C4' energy: -61.790 flat angles P-C4'-P energy: -41.377 tors. eta vs tors. theta energy: -74.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -898.006336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.006336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.006336 (E_RNA) where: Base-Base interactions energy: -637.765 where: short stacking energy: -266.832 Base-Backbone interact. energy: -0.462 local terms energy: -259.779488 where: bonds (distance) C4'-P energy: -37.341 bonds (distance) P-C4' energy: -59.800 flat angles C4'-P-C4' energy: -62.866 flat angles P-C4'-P energy: -37.373 tors. eta vs tors. theta energy: -62.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -822.462595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.462595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.462595 (E_RNA) where: Base-Base interactions energy: -566.472 where: short stacking energy: -245.447 Base-Backbone interact. energy: -2.388 local terms energy: -253.602624 where: bonds (distance) C4'-P energy: -54.056 bonds (distance) P-C4' energy: -56.328 flat angles C4'-P-C4' energy: -63.130 flat angles P-C4'-P energy: -32.019 tors. eta vs tors. theta energy: -48.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -702.678126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.678126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.678126 (E_RNA) where: Base-Base interactions energy: -477.613 where: short stacking energy: -205.230 Base-Backbone interact. energy: -0.735 local terms energy: -224.329592 where: bonds (distance) C4'-P energy: -56.723 bonds (distance) P-C4' energy: -46.291 flat angles C4'-P-C4' energy: -53.103 flat angles P-C4'-P energy: -33.545 tors. eta vs tors. theta energy: -34.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -511.708429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.708429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.708429 (E_RNA) where: Base-Base interactions energy: -312.521 where: short stacking energy: -152.060 Base-Backbone interact. energy: -0.274 local terms energy: -198.914032 where: bonds (distance) C4'-P energy: -39.201 bonds (distance) P-C4' energy: -49.313 flat angles C4'-P-C4' energy: -54.875 flat angles P-C4'-P energy: -43.842 tors. eta vs tors. theta energy: -11.683 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: 1, replica: 4 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1180.720466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.720466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.720466 (E_RNA) where: Base-Base interactions energy: -813.278 where: short stacking energy: -370.021 Base-Backbone interact. energy: -0.857 local terms energy: -366.585235 where: bonds (distance) C4'-P energy: -63.717 bonds (distance) P-C4' energy: -72.487 flat angles C4'-P-C4' energy: -76.324 flat angles P-C4'-P energy: -51.121 tors. eta vs tors. theta energy: -102.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1193.785008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.785008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.785008 (E_RNA) where: Base-Base interactions energy: -839.212 where: short stacking energy: -340.964 Base-Backbone interact. energy: -2.229 local terms energy: -352.344329 where: bonds (distance) C4'-P energy: -65.203 bonds (distance) P-C4' energy: -72.377 flat angles C4'-P-C4' energy: -67.441 flat angles P-C4'-P energy: -55.556 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: 3, replica: 9 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1125.179686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.179686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.179686 (E_RNA) where: Base-Base interactions energy: -797.954 where: short stacking energy: -335.655 Base-Backbone interact. energy: 0.107 local terms energy: -327.332674 where: bonds (distance) C4'-P energy: -63.836 bonds (distance) P-C4' energy: -52.902 flat angles C4'-P-C4' energy: -69.899 flat angles P-C4'-P energy: -52.453 tors. eta vs tors. theta energy: -88.243 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: 5 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1076.696865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.696865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.696865 (E_RNA) where: Base-Base interactions energy: -761.096 where: short stacking energy: -342.917 Base-Backbone interact. energy: -2.270 local terms energy: -313.330814 where: bonds (distance) C4'-P energy: -58.147 bonds (distance) P-C4' energy: -60.482 flat angles C4'-P-C4' energy: -71.432 flat angles P-C4'-P energy: -33.314 tors. eta vs tors. theta energy: -89.956 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: 5, replica: 7 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -996.132642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.132642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.132642 (E_RNA) where: Base-Base interactions energy: -683.957 where: short stacking energy: -314.244 Base-Backbone interact. energy: -1.820 local terms energy: -310.355667 where: bonds (distance) C4'-P energy: -59.307 bonds (distance) P-C4' energy: -50.873 flat angles C4'-P-C4' energy: -59.701 flat angles P-C4'-P energy: -45.482 tors. eta vs tors. theta energy: -94.992 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: 491 Temperature: 1.150000 Total energy: -979.518708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.518708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.518708 (E_RNA) where: Base-Base interactions energy: -675.532 where: short stacking energy: -282.627 Base-Backbone interact. energy: -0.926 local terms energy: -303.061077 where: bonds (distance) C4'-P energy: -59.124 bonds (distance) P-C4' energy: -62.362 flat angles C4'-P-C4' energy: -65.517 flat angles P-C4'-P energy: -38.467 tors. eta vs tors. theta energy: -77.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -911.892136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.892136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.892136 (E_RNA) where: Base-Base interactions energy: -651.602 where: short stacking energy: -271.983 Base-Backbone interact. energy: -1.125 local terms energy: -259.165068 where: bonds (distance) C4'-P energy: -42.273 bonds (distance) P-C4' energy: -54.435 flat angles C4'-P-C4' energy: -61.475 flat angles P-C4'-P energy: -34.290 tors. eta vs tors. theta energy: -66.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -804.629340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.629340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.629340 (E_RNA) where: Base-Base interactions energy: -549.479 where: short stacking energy: -223.058 Base-Backbone interact. energy: -1.107 local terms energy: -254.043502 where: bonds (distance) C4'-P energy: -46.383 bonds (distance) P-C4' energy: -56.860 flat angles C4'-P-C4' energy: -63.398 flat angles P-C4'-P energy: -46.210 tors. eta vs tors. theta energy: -41.194 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: 491 Temperature: 1.300000 Total energy: -675.269004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.269004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.269004 (E_RNA) where: Base-Base interactions energy: -449.149 where: short stacking energy: -191.362 Base-Backbone interact. energy: -0.139 local terms energy: -225.980804 where: bonds (distance) C4'-P energy: -60.497 bonds (distance) P-C4' energy: -56.972 flat angles C4'-P-C4' energy: -49.208 flat angles P-C4'-P energy: -29.409 tors. eta vs tors. theta energy: -29.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -519.541597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.541597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.541597 (E_RNA) where: Base-Base interactions energy: -321.729 where: short stacking energy: -141.293 Base-Backbone interact. energy: -2.398 local terms energy: -195.414337 where: bonds (distance) C4'-P energy: -43.832 bonds (distance) P-C4' energy: -51.642 flat angles C4'-P-C4' energy: -55.931 flat angles P-C4'-P energy: -22.715 tors. eta vs tors. theta energy: -21.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1209.523542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.523542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.523542 (E_RNA) where: Base-Base interactions energy: -867.444 where: short stacking energy: -357.953 Base-Backbone interact. energy: -0.912 local terms energy: -341.168086 where: bonds (distance) C4'-P energy: -62.050 bonds (distance) P-C4' energy: -65.316 flat angles C4'-P-C4' energy: -78.357 flat angles P-C4'-P energy: -49.627 tors. eta vs tors. theta energy: -85.818 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: 492 Temperature: 0.950000 Total energy: -1150.949033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.949033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.949033 (E_RNA) where: Base-Base interactions energy: -794.552 where: short stacking energy: -363.905 Base-Backbone interact. energy: -0.277 local terms energy: -356.120179 where: bonds (distance) C4'-P energy: -60.873 bonds (distance) P-C4' energy: -64.371 flat angles C4'-P-C4' energy: -68.555 flat angles P-C4'-P energy: -53.671 tors. eta vs tors. theta energy: -108.651 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: 9 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1109.246497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.246497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.246497 (E_RNA) where: Base-Base interactions energy: -787.229 where: short stacking energy: -332.093 Base-Backbone interact. energy: -1.864 local terms energy: -320.154228 where: bonds (distance) C4'-P energy: -60.519 bonds (distance) P-C4' energy: -53.591 flat angles C4'-P-C4' energy: -69.531 flat angles P-C4'-P energy: -44.073 tors. eta vs tors. theta energy: -92.440 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: 5 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1075.717332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.717332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.717332 (E_RNA) where: Base-Base interactions energy: -757.001 where: short stacking energy: -334.324 Base-Backbone interact. energy: 0.102 local terms energy: -318.818558 where: bonds (distance) C4'-P energy: -60.256 bonds (distance) P-C4' energy: -68.342 flat angles C4'-P-C4' energy: -67.604 flat angles P-C4'-P energy: -35.889 tors. eta vs tors. theta energy: -86.728 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: 5, replica: 1 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1021.508403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.508403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.508403 (E_RNA) where: Base-Base interactions energy: -713.312 where: short stacking energy: -288.308 Base-Backbone interact. energy: -0.038 local terms energy: -308.158288 where: bonds (distance) C4'-P energy: -59.991 bonds (distance) P-C4' energy: -48.770 flat angles C4'-P-C4' energy: -63.993 flat angles P-C4'-P energy: -57.926 tors. eta vs tors. theta energy: -77.477 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: 7 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -965.445296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.445296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.445296 (E_RNA) where: Base-Base interactions energy: -665.725 where: short stacking energy: -303.607 Base-Backbone interact. energy: -1.848 local terms energy: -297.871724 where: bonds (distance) C4'-P energy: -49.974 bonds (distance) P-C4' energy: -53.738 flat angles C4'-P-C4' energy: -66.465 flat angles P-C4'-P energy: -43.497 tors. eta vs tors. theta energy: -84.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -875.651263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.651263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.651263 (E_RNA) where: Base-Base interactions energy: -613.898 where: short stacking energy: -236.469 Base-Backbone interact. energy: 0.260 local terms energy: -262.013878 where: bonds (distance) C4'-P energy: -36.612 bonds (distance) P-C4' energy: -66.173 flat angles C4'-P-C4' energy: -59.965 flat angles P-C4'-P energy: -40.334 tors. eta vs tors. theta energy: -58.930 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: 8 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -815.554100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.554100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.554100 (E_RNA) where: Base-Base interactions energy: -584.989 where: short stacking energy: -242.731 Base-Backbone interact. energy: -2.586 local terms energy: -227.978605 where: bonds (distance) C4'-P energy: -49.947 bonds (distance) P-C4' energy: -41.155 flat angles C4'-P-C4' energy: -52.615 flat angles P-C4'-P energy: -30.781 tors. eta vs tors. theta energy: -53.480 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: 3 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -679.931210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.931210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.931210 (E_RNA) where: Base-Base interactions energy: -457.258 where: short stacking energy: -205.866 Base-Backbone interact. energy: -1.373 local terms energy: -221.299939 where: bonds (distance) C4'-P energy: -46.685 bonds (distance) P-C4' energy: -50.109 flat angles C4'-P-C4' energy: -52.807 flat angles P-C4'-P energy: -40.747 tors. eta vs tors. theta energy: -30.952 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: 2 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -549.245975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.245975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.245975 (E_RNA) where: Base-Base interactions energy: -346.753 where: short stacking energy: -163.252 Base-Backbone interact. energy: 1.123 local terms energy: -203.616274 where: bonds (distance) C4'-P energy: -46.669 bonds (distance) P-C4' energy: -49.052 flat angles C4'-P-C4' energy: -55.908 flat angles P-C4'-P energy: -34.650 tors. eta vs tors. theta energy: -17.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1205.832424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.832424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.832424 (E_RNA) where: Base-Base interactions energy: -853.706 where: short stacking energy: -349.963 Base-Backbone interact. energy: -1.207 local terms energy: -350.919102 where: bonds (distance) C4'-P energy: -56.995 bonds (distance) P-C4' energy: -74.121 flat angles C4'-P-C4' energy: -71.163 flat angles P-C4'-P energy: -55.907 tors. eta vs tors. theta energy: -92.734 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: 493 Temperature: 0.950000 Total energy: -1159.483668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.483668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.483668 (E_RNA) where: Base-Base interactions energy: -803.270 where: short stacking energy: -354.198 Base-Backbone interact. energy: -1.277 local terms energy: -354.935911 where: bonds (distance) C4'-P energy: -59.926 bonds (distance) P-C4' energy: -69.200 flat angles C4'-P-C4' energy: -71.568 flat angles P-C4'-P energy: -48.964 tors. eta vs tors. theta energy: -105.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1128.999024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.999024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.999024 (E_RNA) where: Base-Base interactions energy: -791.400 where: short stacking energy: -343.031 Base-Backbone interact. energy: 1.204 local terms energy: -338.803031 where: bonds (distance) C4'-P energy: -59.261 bonds (distance) P-C4' energy: -71.371 flat angles C4'-P-C4' energy: -67.760 flat angles P-C4'-P energy: -43.413 tors. eta vs tors. theta energy: -96.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1068.086649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.086649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.086649 (E_RNA) where: Base-Base interactions energy: -749.200 where: short stacking energy: -338.483 Base-Backbone interact. energy: -2.946 local terms energy: -315.939752 where: bonds (distance) C4'-P energy: -62.778 bonds (distance) P-C4' energy: -58.591 flat angles C4'-P-C4' energy: -63.026 flat angles P-C4'-P energy: -41.358 tors. eta vs tors. theta energy: -90.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -988.897824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.897824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.897824 (E_RNA) where: Base-Base interactions energy: -681.947 where: short stacking energy: -295.487 Base-Backbone interact. energy: -1.429 local terms energy: -305.522443 where: bonds (distance) C4'-P energy: -57.083 bonds (distance) P-C4' energy: -65.546 flat angles C4'-P-C4' energy: -61.416 flat angles P-C4'-P energy: -43.425 tors. eta vs tors. theta energy: -78.052 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: 6, replica: 7 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -930.299865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.299865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.299865 (E_RNA) where: Base-Base interactions energy: -622.607 where: short stacking energy: -279.935 Base-Backbone interact. energy: -1.547 local terms energy: -306.146088 where: bonds (distance) C4'-P energy: -60.960 bonds (distance) P-C4' energy: -54.870 flat angles C4'-P-C4' energy: -67.004 flat angles P-C4'-P energy: -52.022 tors. eta vs tors. theta energy: -71.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -894.433665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.433665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.433665 (E_RNA) where: Base-Base interactions energy: -625.423 where: short stacking energy: -268.356 Base-Backbone interact. energy: 2.173 local terms energy: -271.183593 where: bonds (distance) C4'-P energy: -51.664 bonds (distance) P-C4' energy: -61.462 flat angles C4'-P-C4' energy: -67.903 flat angles P-C4'-P energy: -32.785 tors. eta vs tors. theta energy: -57.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -806.685141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.685141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.685141 (E_RNA) where: Base-Base interactions energy: -570.745 where: short stacking energy: -236.634 Base-Backbone interact. energy: -0.293 local terms energy: -235.646541 where: bonds (distance) C4'-P energy: -47.433 bonds (distance) P-C4' energy: -59.564 flat angles C4'-P-C4' energy: -57.051 flat angles P-C4'-P energy: -25.299 tors. eta vs tors. theta energy: -46.300 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: 9, replica: 3 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -665.638318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.638318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.638318 (E_RNA) where: Base-Base interactions energy: -430.202 where: short stacking energy: -204.162 Base-Backbone interact. energy: 2.204 local terms energy: -237.639943 where: bonds (distance) C4'-P energy: -52.729 bonds (distance) P-C4' energy: -50.371 flat angles C4'-P-C4' energy: -63.615 flat angles P-C4'-P energy: -30.984 tors. eta vs tors. theta energy: -39.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -555.421419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.421419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.421419 (E_RNA) where: Base-Base interactions energy: -354.170 where: short stacking energy: -147.116 Base-Backbone interact. energy: -1.099 local terms energy: -200.153155 where: bonds (distance) C4'-P energy: -55.964 bonds (distance) P-C4' energy: -49.774 flat angles C4'-P-C4' energy: -52.757 flat angles P-C4'-P energy: -31.537 tors. eta vs tors. theta energy: -10.121 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: 10 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1220.543652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.543652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.543652 (E_RNA) where: Base-Base interactions energy: -879.856 where: short stacking energy: -364.045 Base-Backbone interact. energy: -0.791 local terms energy: -339.897013 where: bonds (distance) C4'-P energy: -61.797 bonds (distance) P-C4' energy: -73.713 flat angles C4'-P-C4' energy: -72.192 flat angles P-C4'-P energy: -45.906 tors. eta vs tors. theta energy: -86.289 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: 494 Temperature: 0.950000 Total energy: -1162.562627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.562627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.562627 (E_RNA) where: Base-Base interactions energy: -798.046 where: short stacking energy: -379.286 Base-Backbone interact. energy: -0.474 local terms energy: -364.042364 where: bonds (distance) C4'-P energy: -65.854 bonds (distance) P-C4' energy: -62.976 flat angles C4'-P-C4' energy: -74.114 flat angles P-C4'-P energy: -53.892 tors. eta vs tors. theta energy: -107.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1134.244559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.244559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.244559 (E_RNA) where: Base-Base interactions energy: -811.953 where: short stacking energy: -341.108 Base-Backbone interact. energy: -2.248 local terms energy: -320.043280 where: bonds (distance) C4'-P energy: -53.475 bonds (distance) P-C4' energy: -63.928 flat angles C4'-P-C4' energy: -61.817 flat angles P-C4'-P energy: -46.829 tors. eta vs tors. theta energy: -93.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1069.536940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.536940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.536940 (E_RNA) where: Base-Base interactions energy: -751.190 where: short stacking energy: -314.507 Base-Backbone interact. energy: -1.391 local terms energy: -316.955872 where: bonds (distance) C4'-P energy: -58.411 bonds (distance) P-C4' energy: -60.882 flat angles C4'-P-C4' energy: -60.746 flat angles P-C4'-P energy: -56.010 tors. eta vs tors. theta energy: -80.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1037.985689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.985689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.985689 (E_RNA) where: Base-Base interactions energy: -720.326 where: short stacking energy: -293.097 Base-Backbone interact. energy: -0.762 local terms energy: -316.897476 where: bonds (distance) C4'-P energy: -59.962 bonds (distance) P-C4' energy: -63.387 flat angles C4'-P-C4' energy: -67.907 flat angles P-C4'-P energy: -45.030 tors. eta vs tors. theta energy: -80.611 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: 7 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -915.873142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.873142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.873142 (E_RNA) where: Base-Base interactions energy: -632.770 where: short stacking energy: -301.675 Base-Backbone interact. energy: 1.526 local terms energy: -284.629647 where: bonds (distance) C4'-P energy: -50.757 bonds (distance) P-C4' energy: -63.675 flat angles C4'-P-C4' energy: -52.160 flat angles P-C4'-P energy: -39.951 tors. eta vs tors. theta energy: -78.086 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: 6 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -891.919829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.919829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.919829 (E_RNA) where: Base-Base interactions energy: -627.954 where: short stacking energy: -254.346 Base-Backbone interact. energy: -0.094 local terms energy: -263.871891 where: bonds (distance) C4'-P energy: -55.992 bonds (distance) P-C4' energy: -52.588 flat angles C4'-P-C4' energy: -63.897 flat angles P-C4'-P energy: -37.787 tors. eta vs tors. theta energy: -53.608 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: 8, replica: 8 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -813.661989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.661989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.661989 (E_RNA) where: Base-Base interactions energy: -559.605 where: short stacking energy: -226.948 Base-Backbone interact. energy: 1.395 local terms energy: -255.451704 where: bonds (distance) C4'-P energy: -52.183 bonds (distance) P-C4' energy: -55.552 flat angles C4'-P-C4' energy: -62.907 flat angles P-C4'-P energy: -33.800 tors. eta vs tors. theta energy: -51.009 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: 494 Temperature: 1.300000 Total energy: -667.343120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.343120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.343120 (E_RNA) where: Base-Base interactions energy: -457.590 where: short stacking energy: -210.620 Base-Backbone interact. energy: -0.247 local terms energy: -209.505926 where: bonds (distance) C4'-P energy: -49.450 bonds (distance) P-C4' energy: -44.904 flat angles C4'-P-C4' energy: -56.810 flat angles P-C4'-P energy: -24.193 tors. eta vs tors. theta energy: -34.149 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: 2 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -508.224873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.224873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.224873 (E_RNA) where: Base-Base interactions energy: -303.124 where: short stacking energy: -146.703 Base-Backbone interact. energy: -3.347 local terms energy: -201.753991 where: bonds (distance) C4'-P energy: -39.926 bonds (distance) P-C4' energy: -50.478 flat angles C4'-P-C4' energy: -46.559 flat angles P-C4'-P energy: -35.373 tors. eta vs tors. theta energy: -29.418 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: 1, replica: 10 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1216.552633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.552633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.552633 (E_RNA) where: Base-Base interactions energy: -865.512 where: short stacking energy: -350.456 Base-Backbone interact. energy: -2.993 local terms energy: -348.047243 where: bonds (distance) C4'-P energy: -58.660 bonds (distance) P-C4' energy: -70.209 flat angles C4'-P-C4' energy: -77.223 flat angles P-C4'-P energy: -52.811 tors. eta vs tors. theta energy: -89.144 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: 4 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1169.758731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.758731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.758731 (E_RNA) where: Base-Base interactions energy: -803.683 where: short stacking energy: -364.115 Base-Backbone interact. energy: -0.746 local terms energy: -365.329723 where: bonds (distance) C4'-P energy: -55.763 bonds (distance) P-C4' energy: -74.063 flat angles C4'-P-C4' energy: -74.217 flat angles P-C4'-P energy: -52.920 tors. eta vs tors. theta energy: -108.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1115.484769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.484769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.484769 (E_RNA) where: Base-Base interactions energy: -788.528 where: short stacking energy: -328.969 Base-Backbone interact. energy: 1.172 local terms energy: -328.128841 where: bonds (distance) C4'-P energy: -63.353 bonds (distance) P-C4' energy: -57.869 flat angles C4'-P-C4' energy: -75.265 flat angles P-C4'-P energy: -46.379 tors. eta vs tors. theta energy: -85.262 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: 4, replica: 1 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1047.747568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.747568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.747568 (E_RNA) where: Base-Base interactions energy: -749.035 where: short stacking energy: -303.440 Base-Backbone interact. energy: -1.702 local terms energy: -297.011012 where: bonds (distance) C4'-P energy: -51.466 bonds (distance) P-C4' energy: -64.395 flat angles C4'-P-C4' energy: -70.006 flat angles P-C4'-P energy: -37.239 tors. eta vs tors. theta energy: -73.904 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: 5, replica: 5 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1033.794367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.794367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.794367 (E_RNA) where: Base-Base interactions energy: -732.235 where: short stacking energy: -312.506 Base-Backbone interact. energy: -0.267 local terms energy: -301.292379 where: bonds (distance) C4'-P energy: -47.693 bonds (distance) P-C4' energy: -61.602 flat angles C4'-P-C4' energy: -72.680 flat angles P-C4'-P energy: -42.942 tors. eta vs tors. theta energy: -76.375 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: 6 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -939.902195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.902195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.902195 (E_RNA) where: Base-Base interactions energy: -654.941 where: short stacking energy: -296.206 Base-Backbone interact. energy: -1.979 local terms energy: -282.982244 where: bonds (distance) C4'-P energy: -68.335 bonds (distance) P-C4' energy: -44.866 flat angles C4'-P-C4' energy: -57.889 flat angles P-C4'-P energy: -40.090 tors. eta vs tors. theta energy: -71.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -865.009984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.009984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.009984 (E_RNA) where: Base-Base interactions energy: -606.863 where: short stacking energy: -263.490 Base-Backbone interact. energy: 0.933 local terms energy: -259.080509 where: bonds (distance) C4'-P energy: -35.876 bonds (distance) P-C4' energy: -53.826 flat angles C4'-P-C4' energy: -55.009 flat angles P-C4'-P energy: -40.183 tors. eta vs tors. theta energy: -74.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -816.345872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.345872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.345872 (E_RNA) where: Base-Base interactions energy: -568.683 where: short stacking energy: -238.647 Base-Backbone interact. energy: -2.136 local terms energy: -245.526333 where: bonds (distance) C4'-P energy: -52.927 bonds (distance) P-C4' energy: -48.370 flat angles C4'-P-C4' energy: -45.620 flat angles P-C4'-P energy: -46.483 tors. eta vs tors. theta energy: -52.127 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: 495 Temperature: 1.300000 Total energy: -663.515466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.515466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.515466 (E_RNA) where: Base-Base interactions energy: -454.177 where: short stacking energy: -207.491 Base-Backbone interact. energy: -2.049 local terms energy: -207.289237 where: bonds (distance) C4'-P energy: -53.246 bonds (distance) P-C4' energy: -46.131 flat angles C4'-P-C4' energy: -43.021 flat angles P-C4'-P energy: -30.137 tors. eta vs tors. theta energy: -34.753 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: 2 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -516.992235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.992235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.992235 (E_RNA) where: Base-Base interactions energy: -340.684 where: short stacking energy: -179.734 Base-Backbone interact. energy: 6.213 local terms energy: -182.520303 where: bonds (distance) C4'-P energy: -53.659 bonds (distance) P-C4' energy: -41.279 flat angles C4'-P-C4' energy: -49.326 flat angles P-C4'-P energy: -16.192 tors. eta vs tors. theta energy: -22.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1223.756588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.756588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.756588 (E_RNA) where: Base-Base interactions energy: -889.176 where: short stacking energy: -373.579 Base-Backbone interact. energy: -2.133 local terms energy: -332.447767 where: bonds (distance) C4'-P energy: -57.254 bonds (distance) P-C4' energy: -62.473 flat angles C4'-P-C4' energy: -72.294 flat angles P-C4'-P energy: -44.035 tors. eta vs tors. theta energy: -96.392 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: 2, replica: 4 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1155.735756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.735756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.735756 (E_RNA) where: Base-Base interactions energy: -807.116 where: short stacking energy: -373.481 Base-Backbone interact. energy: -0.493 local terms energy: -348.127446 where: bonds (distance) C4'-P energy: -59.875 bonds (distance) P-C4' energy: -64.029 flat angles C4'-P-C4' energy: -67.502 flat angles P-C4'-P energy: -44.556 tors. eta vs tors. theta energy: -112.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1066.403868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.403868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.403868 (E_RNA) where: Base-Base interactions energy: -750.492 where: short stacking energy: -297.541 Base-Backbone interact. energy: -2.787 local terms energy: -313.124340 where: bonds (distance) C4'-P energy: -57.766 bonds (distance) P-C4' energy: -59.929 flat angles C4'-P-C4' energy: -69.632 flat angles P-C4'-P energy: -44.805 tors. eta vs tors. theta energy: -80.992 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: 9 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -1091.928370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.928370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.928370 (E_RNA) where: Base-Base interactions energy: -773.103 where: short stacking energy: -325.397 Base-Backbone interact. energy: -0.565 local terms energy: -318.260361 where: bonds (distance) C4'-P energy: -61.490 bonds (distance) P-C4' energy: -55.427 flat angles C4'-P-C4' energy: -69.158 flat angles P-C4'-P energy: -50.145 tors. eta vs tors. theta energy: -82.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1031.184443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.184443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.184443 (E_RNA) where: Base-Base interactions energy: -713.764 where: short stacking energy: -314.521 Base-Backbone interact. energy: 0.207 local terms energy: -317.627167 where: bonds (distance) C4'-P energy: -56.811 bonds (distance) P-C4' energy: -63.101 flat angles C4'-P-C4' energy: -62.535 flat angles P-C4'-P energy: -46.425 tors. eta vs tors. theta energy: -88.755 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: 6 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -974.189700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.189700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.189700 (E_RNA) where: Base-Base interactions energy: -694.581 where: short stacking energy: -292.938 Base-Backbone interact. energy: -0.995 local terms energy: -278.613637 where: bonds (distance) C4'-P energy: -52.723 bonds (distance) P-C4' energy: -51.571 flat angles C4'-P-C4' energy: -66.692 flat angles P-C4'-P energy: -36.815 tors. eta vs tors. theta energy: -70.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -875.423633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.423633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.423633 (E_RNA) where: Base-Base interactions energy: -596.252 where: short stacking energy: -261.165 Base-Backbone interact. energy: 5.222 local terms energy: -284.394020 where: bonds (distance) C4'-P energy: -50.541 bonds (distance) P-C4' energy: -62.647 flat angles C4'-P-C4' energy: -61.232 flat angles P-C4'-P energy: -42.899 tors. eta vs tors. theta energy: -67.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -873.426201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.426201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.426201 (E_RNA) where: Base-Base interactions energy: -598.926 where: short stacking energy: -260.381 Base-Backbone interact. energy: -0.156 local terms energy: -274.343562 where: bonds (distance) C4'-P energy: -49.229 bonds (distance) P-C4' energy: -59.762 flat angles C4'-P-C4' energy: -54.551 flat angles P-C4'-P energy: -41.503 tors. eta vs tors. theta energy: -69.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -686.157397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.157397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.157397 (E_RNA) where: Base-Base interactions energy: -455.041 where: short stacking energy: -198.415 Base-Backbone interact. energy: -0.836 local terms energy: -230.280338 where: bonds (distance) C4'-P energy: -35.253 bonds (distance) P-C4' energy: -65.740 flat angles C4'-P-C4' energy: -48.033 flat angles P-C4'-P energy: -32.060 tors. eta vs tors. theta energy: -49.194 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: 2 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -499.506715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.506715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.506715 (E_RNA) where: Base-Base interactions energy: -285.636 where: short stacking energy: -129.665 Base-Backbone interact. energy: -1.437 local terms energy: -212.434125 where: bonds (distance) C4'-P energy: -50.917 bonds (distance) P-C4' energy: -60.909 flat angles C4'-P-C4' energy: -48.788 flat angles P-C4'-P energy: -39.582 tors. eta vs tors. theta energy: -12.239 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: 10 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1224.588662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.588662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.588662 (E_RNA) where: Base-Base interactions energy: -880.949 where: short stacking energy: -366.203 Base-Backbone interact. energy: -1.883 local terms energy: -341.756664 where: bonds (distance) C4'-P energy: -54.236 bonds (distance) P-C4' energy: -66.403 flat angles C4'-P-C4' energy: -73.716 flat angles P-C4'-P energy: -56.000 tors. eta vs tors. theta energy: -91.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1162.561747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.561747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.561747 (E_RNA) where: Base-Base interactions energy: -799.923 where: short stacking energy: -348.612 Base-Backbone interact. energy: -1.133 local terms energy: -361.505574 where: bonds (distance) C4'-P energy: -68.990 bonds (distance) P-C4' energy: -69.474 flat angles C4'-P-C4' energy: -75.272 flat angles P-C4'-P energy: -50.985 tors. eta vs tors. theta energy: -96.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1097.456686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.456686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.456686 (E_RNA) where: Base-Base interactions energy: -762.680 where: short stacking energy: -304.221 Base-Backbone interact. energy: -2.038 local terms energy: -332.738916 where: bonds (distance) C4'-P energy: -66.107 bonds (distance) P-C4' energy: -61.583 flat angles C4'-P-C4' energy: -68.553 flat angles P-C4'-P energy: -54.098 tors. eta vs tors. theta energy: -82.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1117.458263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.458263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.458263 (E_RNA) where: Base-Base interactions energy: -786.186 where: short stacking energy: -331.225 Base-Backbone interact. energy: -1.252 local terms energy: -330.020033 where: bonds (distance) C4'-P energy: -63.093 bonds (distance) P-C4' energy: -64.798 flat angles C4'-P-C4' energy: -62.559 flat angles P-C4'-P energy: -48.831 tors. eta vs tors. theta energy: -90.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1034.682780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.682780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.682780 (E_RNA) where: Base-Base interactions energy: -712.426 where: short stacking energy: -314.916 Base-Backbone interact. energy: -1.309 local terms energy: -320.947095 where: bonds (distance) C4'-P energy: -54.642 bonds (distance) P-C4' energy: -67.297 flat angles C4'-P-C4' energy: -67.755 flat angles P-C4'-P energy: -49.961 tors. eta vs tors. theta energy: -81.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -969.575175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.575175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.575175 (E_RNA) where: Base-Base interactions energy: -682.259 where: short stacking energy: -293.543 Base-Backbone interact. energy: -1.194 local terms energy: -286.121851 where: bonds (distance) C4'-P energy: -53.049 bonds (distance) P-C4' energy: -56.696 flat angles C4'-P-C4' energy: -54.461 flat angles P-C4'-P energy: -46.919 tors. eta vs tors. theta energy: -74.997 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: 7 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -870.326809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.326809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.326809 (E_RNA) where: Base-Base interactions energy: -588.681 where: short stacking energy: -253.933 Base-Backbone interact. energy: -2.409 local terms energy: -279.237329 where: bonds (distance) C4'-P energy: -50.696 bonds (distance) P-C4' energy: -66.239 flat angles C4'-P-C4' energy: -58.064 flat angles P-C4'-P energy: -37.693 tors. eta vs tors. theta energy: -66.545 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: 497 Temperature: 1.250000 Total energy: -849.980544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.980544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.980544 (E_RNA) where: Base-Base interactions energy: -577.114 where: short stacking energy: -239.139 Base-Backbone interact. energy: -0.146 local terms energy: -272.720584 where: bonds (distance) C4'-P energy: -54.179 bonds (distance) P-C4' energy: -50.491 flat angles C4'-P-C4' energy: -66.686 flat angles P-C4'-P energy: -39.493 tors. eta vs tors. theta energy: -61.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -657.177275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.177275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.177275 (E_RNA) where: Base-Base interactions energy: -439.292 where: short stacking energy: -191.657 Base-Backbone interact. energy: -1.542 local terms energy: -216.343589 where: bonds (distance) C4'-P energy: -36.965 bonds (distance) P-C4' energy: -62.052 flat angles C4'-P-C4' energy: -56.084 flat angles P-C4'-P energy: -24.203 tors. eta vs tors. theta energy: -37.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -518.638142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.638142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.638142 (E_RNA) where: Base-Base interactions energy: -318.571 where: short stacking energy: -160.242 Base-Backbone interact. energy: -1.112 local terms energy: -198.955008 where: bonds (distance) C4'-P energy: -50.043 bonds (distance) P-C4' energy: -52.685 flat angles C4'-P-C4' energy: -55.126 flat angles P-C4'-P energy: -25.740 tors. eta vs tors. theta energy: -15.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1220.095364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.095364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.095364 (E_RNA) where: Base-Base interactions energy: -873.597 where: short stacking energy: -352.074 Base-Backbone interact. energy: -1.398 local terms energy: -345.100419 where: bonds (distance) C4'-P energy: -64.934 bonds (distance) P-C4' energy: -67.765 flat angles C4'-P-C4' energy: -70.839 flat angles P-C4'-P energy: -50.130 tors. eta vs tors. theta energy: -91.432 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: 498 Temperature: 0.950000 Total energy: -1161.747264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.747264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.747264 (E_RNA) where: Base-Base interactions energy: -796.038 where: short stacking energy: -363.624 Base-Backbone interact. energy: -0.478 local terms energy: -365.231829 where: bonds (distance) C4'-P energy: -69.947 bonds (distance) P-C4' energy: -58.740 flat angles C4'-P-C4' energy: -71.377 flat angles P-C4'-P energy: -51.198 tors. eta vs tors. theta energy: -113.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -1093.467585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.467585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.467585 (E_RNA) where: Base-Base interactions energy: -774.783 where: short stacking energy: -330.466 Base-Backbone interact. energy: -1.310 local terms energy: -317.375201 where: bonds (distance) C4'-P energy: -63.093 bonds (distance) P-C4' energy: -60.066 flat angles C4'-P-C4' energy: -59.750 flat angles P-C4'-P energy: -47.135 tors. eta vs tors. theta energy: -87.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -1061.161189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.161189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.161189 (E_RNA) where: Base-Base interactions energy: -737.813 where: short stacking energy: -300.891 Base-Backbone interact. energy: -0.302 local terms energy: -323.046303 where: bonds (distance) C4'-P energy: -55.872 bonds (distance) P-C4' energy: -60.988 flat angles C4'-P-C4' energy: -74.268 flat angles P-C4'-P energy: -51.251 tors. eta vs tors. theta energy: -80.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -1045.755843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.755843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.755843 (E_RNA) where: Base-Base interactions energy: -740.788 where: short stacking energy: -323.837 Base-Backbone interact. energy: 0.517 local terms energy: -305.485060 where: bonds (distance) C4'-P energy: -55.743 bonds (distance) P-C4' energy: -50.764 flat angles C4'-P-C4' energy: -69.440 flat angles P-C4'-P energy: -42.128 tors. eta vs tors. theta energy: -87.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -961.670839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.670839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.670839 (E_RNA) where: Base-Base interactions energy: -692.395 where: short stacking energy: -281.640 Base-Backbone interact. energy: -1.749 local terms energy: -267.526750 where: bonds (distance) C4'-P energy: -44.611 bonds (distance) P-C4' energy: -52.367 flat angles C4'-P-C4' energy: -69.998 flat angles P-C4'-P energy: -36.277 tors. eta vs tors. theta energy: -64.274 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: 498 Temperature: 1.200000 Total energy: -867.526193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.526193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.526193 (E_RNA) where: Base-Base interactions energy: -600.879 where: short stacking energy: -260.693 Base-Backbone interact. energy: 0.714 local terms energy: -267.360929 where: bonds (distance) C4'-P energy: -44.425 bonds (distance) P-C4' energy: -54.214 flat angles C4'-P-C4' energy: -64.946 flat angles P-C4'-P energy: -46.637 tors. eta vs tors. theta energy: -57.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -820.519883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.519883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.519883 (E_RNA) where: Base-Base interactions energy: -551.815 where: short stacking energy: -243.069 Base-Backbone interact. energy: -1.866 local terms energy: -266.838891 where: bonds (distance) C4'-P energy: -42.223 bonds (distance) P-C4' energy: -65.365 flat angles C4'-P-C4' energy: -62.698 flat angles P-C4'-P energy: -28.588 tors. eta vs tors. theta energy: -67.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -630.775071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.775071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.775071 (E_RNA) where: Base-Base interactions energy: -410.839 where: short stacking energy: -193.122 Base-Backbone interact. energy: 0.860 local terms energy: -220.795379 where: bonds (distance) C4'-P energy: -37.358 bonds (distance) P-C4' energy: -54.639 flat angles C4'-P-C4' energy: -56.883 flat angles P-C4'-P energy: -38.767 tors. eta vs tors. theta energy: -33.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -557.887863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.887863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.887863 (E_RNA) where: Base-Base interactions energy: -349.825 where: short stacking energy: -164.368 Base-Backbone interact. energy: 0.670 local terms energy: -208.732623 where: bonds (distance) C4'-P energy: -61.020 bonds (distance) P-C4' energy: -46.850 flat angles C4'-P-C4' energy: -49.221 flat angles P-C4'-P energy: -24.493 tors. eta vs tors. theta energy: -27.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1214.847842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.847842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.847842 (E_RNA) where: Base-Base interactions energy: -863.638 where: short stacking energy: -348.639 Base-Backbone interact. energy: -2.142 local terms energy: -349.067435 where: bonds (distance) C4'-P energy: -65.906 bonds (distance) P-C4' energy: -63.794 flat angles C4'-P-C4' energy: -75.374 flat angles P-C4'-P energy: -47.349 tors. eta vs tors. theta energy: -96.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -1163.728234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.728234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.728234 (E_RNA) where: Base-Base interactions energy: -794.329 where: short stacking energy: -368.054 Base-Backbone interact. energy: -1.204 local terms energy: -368.195326 where: bonds (distance) C4'-P energy: -59.118 bonds (distance) P-C4' energy: -71.118 flat angles C4'-P-C4' energy: -75.027 flat angles P-C4'-P energy: -54.475 tors. eta vs tors. theta energy: -108.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -1117.347582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.347582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.347582 (E_RNA) where: Base-Base interactions energy: -798.201 where: short stacking energy: -319.457 Base-Backbone interact. energy: -0.672 local terms energy: -318.474318 where: bonds (distance) C4'-P energy: -54.823 bonds (distance) P-C4' energy: -64.328 flat angles C4'-P-C4' energy: -75.885 flat angles P-C4'-P energy: -36.463 tors. eta vs tors. theta energy: -86.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1078.563804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.563804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.563804 (E_RNA) where: Base-Base interactions energy: -770.266 where: short stacking energy: -334.678 Base-Backbone interact. energy: -1.371 local terms energy: -306.926640 where: bonds (distance) C4'-P energy: -54.822 bonds (distance) P-C4' energy: -51.700 flat angles C4'-P-C4' energy: -67.359 flat angles P-C4'-P energy: -48.341 tors. eta vs tors. theta energy: -84.704 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: 1 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -1023.058553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.058553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.058553 (E_RNA) where: Base-Base interactions energy: -736.248 where: short stacking energy: -322.612 Base-Backbone interact. energy: 0.762 local terms energy: -287.572494 where: bonds (distance) C4'-P energy: -56.509 bonds (distance) P-C4' energy: -39.162 flat angles C4'-P-C4' energy: -72.164 flat angles P-C4'-P energy: -41.141 tors. eta vs tors. theta energy: -78.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -929.363643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.363643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.363643 (E_RNA) where: Base-Base interactions energy: -662.066 where: short stacking energy: -300.178 Base-Backbone interact. energy: 0.751 local terms energy: -268.048930 where: bonds (distance) C4'-P energy: -54.259 bonds (distance) P-C4' energy: -51.580 flat angles C4'-P-C4' energy: -67.165 flat angles P-C4'-P energy: -27.107 tors. eta vs tors. theta energy: -67.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -875.886049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.886049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.886049 (E_RNA) where: Base-Base interactions energy: -600.277 where: short stacking energy: -250.307 Base-Backbone interact. energy: 0.956 local terms energy: -276.564829 where: bonds (distance) C4'-P energy: -53.325 bonds (distance) P-C4' energy: -64.693 flat angles C4'-P-C4' energy: -62.710 flat angles P-C4'-P energy: -35.610 tors. eta vs tors. theta energy: -60.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -772.260547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.260547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.260547 (E_RNA) where: Base-Base interactions energy: -501.770 where: short stacking energy: -226.344 Base-Backbone interact. energy: -1.261 local terms energy: -269.229282 where: bonds (distance) C4'-P energy: -54.784 bonds (distance) P-C4' energy: -55.116 flat angles C4'-P-C4' energy: -67.813 flat angles P-C4'-P energy: -41.954 tors. eta vs tors. theta energy: -49.563 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: 9, replica: 3 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -597.591709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.591709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.591709 (E_RNA) where: Base-Base interactions energy: -374.170 where: short stacking energy: -177.917 Base-Backbone interact. energy: -2.918 local terms energy: -220.503982 where: bonds (distance) C4'-P energy: -46.311 bonds (distance) P-C4' energy: -46.730 flat angles C4'-P-C4' energy: -54.020 flat angles P-C4'-P energy: -41.078 tors. eta vs tors. theta energy: -32.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -553.455490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.455490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.455490 (E_RNA) where: Base-Base interactions energy: -348.179 where: short stacking energy: -165.985 Base-Backbone interact. energy: -0.771 local terms energy: -204.505588 where: bonds (distance) C4'-P energy: -47.849 bonds (distance) P-C4' energy: -50.008 flat angles C4'-P-C4' energy: -48.807 flat angles P-C4'-P energy: -27.282 tors. eta vs tors. theta energy: -30.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -1214.150747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.150747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.150747 (E_RNA) where: Base-Base interactions energy: -862.686 where: short stacking energy: -361.724 Base-Backbone interact. energy: 1.013 local terms energy: -352.476989 where: bonds (distance) C4'-P energy: -60.573 bonds (distance) P-C4' energy: -72.882 flat angles C4'-P-C4' energy: -76.626 flat angles P-C4'-P energy: -51.463 tors. eta vs tors. theta energy: -90.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1189.232575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.232575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.232575 (E_RNA) where: Base-Base interactions energy: -825.527 where: short stacking energy: -374.448 Base-Backbone interact. energy: -0.274 local terms energy: -363.432271 where: bonds (distance) C4'-P energy: -70.253 bonds (distance) P-C4' energy: -61.494 flat angles C4'-P-C4' energy: -63.779 flat angles P-C4'-P energy: -56.515 tors. eta vs tors. theta energy: -111.392 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: 9 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1149.617862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.617862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.617862 (E_RNA) where: Base-Base interactions energy: -818.004 where: short stacking energy: -334.246 Base-Backbone interact. energy: -2.453 local terms energy: -329.161502 where: bonds (distance) C4'-P energy: -49.571 bonds (distance) P-C4' energy: -64.770 flat angles C4'-P-C4' energy: -69.840 flat angles P-C4'-P energy: -44.175 tors. eta vs tors. theta energy: -100.805 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: 500 Temperature: 1.050000 Total energy: -1080.719809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.719809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.719809 (E_RNA) where: Base-Base interactions energy: -759.743 where: short stacking energy: -351.708 Base-Backbone interact. energy: 3.391 local terms energy: -324.368321 where: bonds (distance) C4'-P energy: -57.828 bonds (distance) P-C4' energy: -63.929 flat angles C4'-P-C4' energy: -67.928 flat angles P-C4'-P energy: -45.869 tors. eta vs tors. theta energy: -88.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -1048.920717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.920717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.920717 (E_RNA) where: Base-Base interactions energy: -737.064 where: short stacking energy: -304.394 Base-Backbone interact. energy: -3.908 local terms energy: -307.948518 where: bonds (distance) C4'-P energy: -55.768 bonds (distance) P-C4' energy: -59.576 flat angles C4'-P-C4' energy: -71.016 flat angles P-C4'-P energy: -42.574 tors. eta vs tors. theta energy: -79.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -955.477706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.477706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.477706 (E_RNA) where: Base-Base interactions energy: -664.614 where: short stacking energy: -275.566 Base-Backbone interact. energy: -1.454 local terms energy: -289.409735 where: bonds (distance) C4'-P energy: -50.808 bonds (distance) P-C4' energy: -53.496 flat angles C4'-P-C4' energy: -66.001 flat angles P-C4'-P energy: -41.145 tors. eta vs tors. theta energy: -77.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -853.991499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.991499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.991499 (E_RNA) where: Base-Base interactions energy: -593.475 where: short stacking energy: -239.273 Base-Backbone interact. energy: -2.188 local terms energy: -258.329085 where: bonds (distance) C4'-P energy: -43.942 bonds (distance) P-C4' energy: -55.606 flat angles C4'-P-C4' energy: -58.230 flat angles P-C4'-P energy: -43.556 tors. eta vs tors. theta energy: -56.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -804.134509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.134509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.134509 (E_RNA) where: Base-Base interactions energy: -549.596 where: short stacking energy: -245.200 Base-Backbone interact. energy: -2.251 local terms energy: -252.287779 where: bonds (distance) C4'-P energy: -51.918 bonds (distance) P-C4' energy: -52.716 flat angles C4'-P-C4' energy: -57.354 flat angles P-C4'-P energy: -30.447 tors. eta vs tors. theta energy: -59.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -569.498408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.498408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.498408 (E_RNA) where: Base-Base interactions energy: -321.278 where: short stacking energy: -164.049 Base-Backbone interact. energy: -0.048 local terms energy: -248.172564 where: bonds (distance) C4'-P energy: -62.405 bonds (distance) P-C4' energy: -54.624 flat angles C4'-P-C4' energy: -59.275 flat angles P-C4'-P energy: -27.973 tors. eta vs tors. theta energy: -43.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -618.284409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.284409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.284409 (E_RNA) where: Base-Base interactions energy: -401.847 where: short stacking energy: -208.337 Base-Backbone interact. energy: -0.301 local terms energy: -216.136888 where: bonds (distance) C4'-P energy: -49.380 bonds (distance) P-C4' energy: -58.032 flat angles C4'-P-C4' energy: -43.589 flat angles P-C4'-P energy: -25.858 tors. eta vs tors. theta energy: -39.277 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: 10 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -1207.083759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.083759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.083759 (E_RNA) where: Base-Base interactions energy: -869.535 where: short stacking energy: -351.090 Base-Backbone interact. energy: -1.492 local terms energy: -336.057448 where: bonds (distance) C4'-P energy: -55.362 bonds (distance) P-C4' energy: -63.785 flat angles C4'-P-C4' energy: -72.517 flat angles P-C4'-P energy: -51.451 tors. eta vs tors. theta energy: -92.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -1152.099170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.099170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.099170 (E_RNA) where: Base-Base interactions energy: -802.397 where: short stacking energy: -346.319 Base-Backbone interact. energy: -1.748 local terms energy: -347.954350 where: bonds (distance) C4'-P energy: -65.869 bonds (distance) P-C4' energy: -65.000 flat angles C4'-P-C4' energy: -74.895 flat angles P-C4'-P energy: -40.984 tors. eta vs tors. theta energy: -101.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -1130.765169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.765169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.765169 (E_RNA) where: Base-Base interactions energy: -786.050 where: short stacking energy: -328.321 Base-Backbone interact. energy: -1.994 local terms energy: -342.720947 where: bonds (distance) C4'-P energy: -61.636 bonds (distance) P-C4' energy: -69.856 flat angles C4'-P-C4' energy: -70.553 flat angles P-C4'-P energy: -56.812 tors. eta vs tors. theta energy: -83.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -1084.538397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.538397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.538397 (E_RNA) where: Base-Base interactions energy: -764.669 where: short stacking energy: -313.526 Base-Backbone interact. energy: -1.313 local terms energy: -318.556473 where: bonds (distance) C4'-P energy: -67.076 bonds (distance) P-C4' energy: -55.469 flat angles C4'-P-C4' energy: -67.160 flat angles P-C4'-P energy: -48.474 tors. eta vs tors. theta energy: -80.377 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: 501 Temperature: 1.100000 Total energy: -1040.569255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.569255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.569255 (E_RNA) where: Base-Base interactions energy: -714.652 where: short stacking energy: -291.474 Base-Backbone interact. energy: -2.140 local terms energy: -323.777412 where: bonds (distance) C4'-P energy: -71.529 bonds (distance) P-C4' energy: -71.599 flat angles C4'-P-C4' energy: -66.381 flat angles P-C4'-P energy: -41.526 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: 6, replica: 6 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -949.831842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.831842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.831842 (E_RNA) where: Base-Base interactions energy: -670.380 where: short stacking energy: -259.770 Base-Backbone interact. energy: -1.931 local terms energy: -277.520893 where: bonds (distance) C4'-P energy: -53.437 bonds (distance) P-C4' energy: -61.826 flat angles C4'-P-C4' energy: -62.102 flat angles P-C4'-P energy: -38.182 tors. eta vs tors. theta energy: -61.974 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: 8 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -879.703934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.703934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.703934 (E_RNA) where: Base-Base interactions energy: -590.688 where: short stacking energy: -265.271 Base-Backbone interact. energy: -2.981 local terms energy: -286.034954 where: bonds (distance) C4'-P energy: -54.870 bonds (distance) P-C4' energy: -55.734 flat angles C4'-P-C4' energy: -70.190 flat angles P-C4'-P energy: -42.589 tors. eta vs tors. theta energy: -62.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -739.247245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.247245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.247245 (E_RNA) where: Base-Base interactions energy: -492.765 where: short stacking energy: -206.898 Base-Backbone interact. energy: -1.270 local terms energy: -245.212046 where: bonds (distance) C4'-P energy: -55.809 bonds (distance) P-C4' energy: -59.328 flat angles C4'-P-C4' energy: -58.371 flat angles P-C4'-P energy: -28.341 tors. eta vs tors. theta energy: -43.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -537.654684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.654684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.654684 (E_RNA) where: Base-Base interactions energy: -343.417 where: short stacking energy: -166.455 Base-Backbone interact. energy: -0.096 local terms energy: -194.141755 where: bonds (distance) C4'-P energy: -44.222 bonds (distance) P-C4' energy: -58.931 flat angles C4'-P-C4' energy: -39.313 flat angles P-C4'-P energy: -30.543 tors. eta vs tors. theta energy: -21.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -509.134800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.134800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.134800 (E_RNA) where: Base-Base interactions energy: -304.486 where: short stacking energy: -133.691 Base-Backbone interact. energy: 0.432 local terms energy: -205.081328 where: bonds (distance) C4'-P energy: -59.114 bonds (distance) P-C4' energy: -56.951 flat angles C4'-P-C4' energy: -41.743 flat angles P-C4'-P energy: -34.096 tors. eta vs tors. theta energy: -13.177 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) replica 10 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 47841064 moves confirmed later: 52111176 all moves confirmed: 99952240 percent of confirmed moves: 12.494030 current total energy: -1155.169530 recalc. total energy: -1155.169530 replica 4 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 50456823 moves confirmed later: 55348749 all moves confirmed: 105805572 percent of confirmed moves: 13.225696 current total energy: -1063.080352 recalc. total energy: -1063.080352 replica 9 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 70178790 moves confirmed later: 81244216 all moves confirmed: 151423006 percent of confirmed moves: 18.927876 current total energy: -1018.190284 recalc. total energy: -1018.190284 replica 5 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 56880442 moves confirmed later: 63343803 all moves confirmed: 120224245 percent of confirmed moves: 15.028031 current total energy: -982.470426 recalc. total energy: -982.470426 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 48771748 moves confirmed later: 53133203 all moves confirmed: 101904951 percent of confirmed moves: 12.738119 current total energy: -993.694344 recalc. total energy: -993.694344 replica 6 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 53728226 moves confirmed later: 59443651 all moves confirmed: 113171877 percent of confirmed moves: 14.146485 current total energy: -830.445937 recalc. total energy: -830.445937 replica 8 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 68484895 moves confirmed later: 79152625 all moves confirmed: 147637520 percent of confirmed moves: 18.454690 current total energy: -749.116327 recalc. total energy: -749.116327 replica 7 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 63944254 moves confirmed later: 72531744 all moves confirmed: 136475998 percent of confirmed moves: 17.059500 current total energy: -633.685015 recalc. total energy: -633.685015 replica 2 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 94058202 moves confirmed later: 112234892 all moves confirmed: 206293094 percent of confirmed moves: 25.786637 current total energy: -470.488682 recalc. total energy: -470.488682 replica 3 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 81127986 moves confirmed later: 95265735 all moves confirmed: 176393721 percent of confirmed moves: 22.049215 current total energy: -330.477714 recalc. total energy: -330.477714 out arg RESULTS//1/1z43-3519c7c6_01 Time of doing 8000000 iterations: 16200.587 seconds