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/EBNA1_gar-bcb0eabb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_gar-bcb0eabb/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/EBNA1_gar-bcb0eabb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_gar-bcb0eabb/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/EBNA1_gar-bcb0eabb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_gar-bcb0eabb/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/EBNA1_gar-bcb0eabb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_gar-bcb0eabb/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/EBNA1_gar-bcb0eabb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_gar-bcb0eabb/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/EBNA1_gar-bcb0eabb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_gar-bcb0eabb/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/EBNA1_gar-bcb0eabb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_gar-bcb0eabb/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/EBNA1_gar-bcb0eabb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_gar-bcb0eabb/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/EBNA1_gar-bcb0eabb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_gar-bcb0eabb/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/EBNA1_gar-bcb0eabb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_gar-bcb0eabb/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 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: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -131.663068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.663068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.663068 (E_RNA) where: Base-Base interactions energy: -61.539 where: short stacking energy: -61.539 Base-Backbone interact. energy: -0.006 local terms energy: -70.118575 where: bonds (distance) C4'-P energy: -13.751 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -14.230 flat angles P-C4'-P energy: -11.006 tors. eta vs tors. theta energy: -15.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -132.308104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.308104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.308104 (E_RNA) where: Base-Base interactions energy: -69.781 where: short stacking energy: -47.133 Base-Backbone interact. energy: -0.291 local terms energy: -62.235632 where: bonds (distance) C4'-P energy: -12.923 bonds (distance) P-C4' energy: -12.771 flat angles C4'-P-C4' energy: -15.697 flat angles P-C4'-P energy: -10.129 tors. eta vs tors. theta energy: -10.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -107.202980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.202980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.202980 (E_RNA) where: Base-Base interactions energy: -53.837 where: short stacking energy: -53.837 Base-Backbone interact. energy: 0.338 local terms energy: -53.704099 where: bonds (distance) C4'-P energy: -13.196 bonds (distance) P-C4' energy: -12.936 flat angles C4'-P-C4' energy: -10.598 flat angles P-C4'-P energy: -7.212 tors. eta vs tors. theta energy: -9.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -104.074877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.074877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.074877 (E_RNA) where: Base-Base interactions energy: -54.448 where: short stacking energy: -54.448 Base-Backbone interact. energy: -0.008 local terms energy: -49.618554 where: bonds (distance) C4'-P energy: -11.689 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -12.617 flat angles P-C4'-P energy: -6.971 tors. eta vs tors. theta energy: -11.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -102.362986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.362986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.362986 (E_RNA) where: Base-Base interactions energy: -44.332 where: short stacking energy: -44.332 Base-Backbone interact. energy: -0.002 local terms energy: -58.028697 where: bonds (distance) C4'-P energy: -12.521 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -11.820 flat angles P-C4'-P energy: -10.536 tors. eta vs tors. theta energy: -9.365 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: 2 Temperature: 1.150000 Total energy: -91.270060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.270060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.270060 (E_RNA) where: Base-Base interactions energy: -42.324 where: short stacking energy: -42.324 Base-Backbone interact. energy: -0.020 local terms energy: -48.925997 where: bonds (distance) C4'-P energy: -10.207 bonds (distance) P-C4' energy: -13.149 flat angles C4'-P-C4' energy: -10.808 flat angles P-C4'-P energy: -8.846 tors. eta vs tors. theta energy: -5.916 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: 2 Temperature: 1.200000 Total energy: -87.046620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.046620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.046620 (E_RNA) where: Base-Base interactions energy: -40.847 where: short stacking energy: -40.553 Base-Backbone interact. energy: -0.009 local terms energy: -46.191039 where: bonds (distance) C4'-P energy: -3.263 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -12.704 flat angles P-C4'-P energy: -5.231 tors. eta vs tors. theta energy: -10.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -79.916232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.916232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.916232 (E_RNA) where: Base-Base interactions energy: -32.975 where: short stacking energy: -31.053 Base-Backbone interact. energy: -0.208 local terms energy: -46.733845 where: bonds (distance) C4'-P energy: -13.052 bonds (distance) P-C4' energy: -13.173 flat angles C4'-P-C4' energy: -10.445 flat angles P-C4'-P energy: -8.196 tors. eta vs tors. theta energy: -1.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -95.121597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.121597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.121597 (E_RNA) where: Base-Base interactions energy: -47.633 where: short stacking energy: -40.859 Base-Backbone interact. energy: 1.039 local terms energy: -48.527620 where: bonds (distance) C4'-P energy: -12.678 bonds (distance) P-C4' energy: -9.433 flat angles C4'-P-C4' energy: -10.313 flat angles P-C4'-P energy: -8.537 tors. eta vs tors. theta energy: -7.566 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: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -70.168143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.168143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.168143 (E_RNA) where: Base-Base interactions energy: -31.677 where: short stacking energy: -31.677 Base-Backbone interact. energy: -0.112 local terms energy: -38.379137 where: bonds (distance) C4'-P energy: -8.174 bonds (distance) P-C4' energy: -11.479 flat angles C4'-P-C4' energy: -12.135 flat angles P-C4'-P energy: -2.390 tors. eta vs tors. theta energy: -4.201 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -123.862161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.862161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.862161 (E_RNA) where: Base-Base interactions energy: -63.723 where: short stacking energy: -59.710 Base-Backbone interact. energy: -0.226 local terms energy: -59.913206 where: bonds (distance) C4'-P energy: -9.277 bonds (distance) P-C4' energy: -14.983 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -10.378 tors. eta vs tors. theta energy: -12.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -128.147768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.147768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.147768 (E_RNA) where: Base-Base interactions energy: -64.433 where: short stacking energy: -55.895 Base-Backbone interact. energy: -1.421 local terms energy: -62.294118 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -14.970 flat angles C4'-P-C4' energy: -11.223 flat angles P-C4'-P energy: -11.025 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: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -131.601167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.601167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.601167 (E_RNA) where: Base-Base interactions energy: -69.010 where: short stacking energy: -50.018 Base-Backbone interact. energy: -0.001 local terms energy: -62.590547 where: bonds (distance) C4'-P energy: -12.769 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -12.621 flat angles P-C4'-P energy: -8.482 tors. eta vs tors. theta energy: -13.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -113.196500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.196500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.196500 (E_RNA) where: Base-Base interactions energy: -57.190 where: short stacking energy: -57.190 Base-Backbone interact. energy: -0.111 local terms energy: -55.895537 where: bonds (distance) C4'-P energy: -9.528 bonds (distance) P-C4' energy: -12.479 flat angles C4'-P-C4' energy: -11.748 flat angles P-C4'-P energy: -10.285 tors. eta vs tors. theta energy: -11.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -107.875286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.875286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.875286 (E_RNA) where: Base-Base interactions energy: -49.386 where: short stacking energy: -49.386 Base-Backbone interact. energy: -0.002 local terms energy: -58.488082 where: bonds (distance) C4'-P energy: -14.388 bonds (distance) P-C4' energy: -11.214 flat angles C4'-P-C4' energy: -12.910 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -11.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -95.209997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.209997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.209997 (E_RNA) where: Base-Base interactions energy: -42.997 where: short stacking energy: -30.077 Base-Backbone interact. energy: -0.100 local terms energy: -52.112169 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -14.961 flat angles C4'-P-C4' energy: -14.260 flat angles P-C4'-P energy: -9.740 tors. eta vs tors. theta energy: -5.093 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: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -97.212475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.212475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.212475 (E_RNA) where: Base-Base interactions energy: -42.643 where: short stacking energy: -40.249 Base-Backbone interact. energy: -0.013 local terms energy: -54.555659 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -12.126 flat angles C4'-P-C4' energy: -13.236 flat angles P-C4'-P energy: -9.464 tors. eta vs tors. theta energy: -6.877 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: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -102.994945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.994945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.994945 (E_RNA) where: Base-Base interactions energy: -70.272 where: short stacking energy: -43.029 Base-Backbone interact. energy: 0.123 local terms energy: -32.846338 where: bonds (distance) C4'-P energy: -11.897 bonds (distance) P-C4' energy: -10.615 flat angles C4'-P-C4' energy: -2.282 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -3.388 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: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -77.495401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.495401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.495401 (E_RNA) where: Base-Base interactions energy: -29.475 where: short stacking energy: -27.113 Base-Backbone interact. energy: 0.101 local terms energy: -48.121137 where: bonds (distance) C4'-P energy: -10.943 bonds (distance) P-C4' energy: -12.273 flat angles C4'-P-C4' energy: -10.750 flat angles P-C4'-P energy: -7.334 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -72.260361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.260361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.260361 (E_RNA) where: Base-Base interactions energy: -33.965 where: short stacking energy: -33.965 Base-Backbone interact. energy: -0.105 local terms energy: -38.191129 where: bonds (distance) C4'-P energy: -11.983 bonds (distance) P-C4' energy: -7.890 flat angles C4'-P-C4' energy: -7.408 flat angles P-C4'-P energy: -6.217 tors. eta vs tors. theta energy: -4.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -134.730012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.730012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.730012 (E_RNA) where: Base-Base interactions energy: -69.709 where: short stacking energy: -65.156 Base-Backbone interact. energy: -0.196 local terms energy: -64.824761 where: bonds (distance) C4'-P energy: -11.154 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -14.330 flat angles P-C4'-P energy: -9.740 tors. eta vs tors. theta energy: -15.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -119.232891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.232891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.232891 (E_RNA) where: Base-Base interactions energy: -60.036 where: short stacking energy: -57.634 Base-Backbone interact. energy: -0.092 local terms energy: -59.105237 where: bonds (distance) C4'-P energy: -10.241 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -13.101 flat angles P-C4'-P energy: -8.568 tors. eta vs tors. theta energy: -11.225 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: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -135.195464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.195464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.195464 (E_RNA) where: Base-Base interactions energy: -74.613 where: short stacking energy: -54.739 Base-Backbone interact. energy: -0.019 local terms energy: -60.563669 where: bonds (distance) C4'-P energy: -10.729 bonds (distance) P-C4' energy: -15.344 flat angles C4'-P-C4' energy: -14.541 flat angles P-C4'-P energy: -8.118 tors. eta vs tors. theta energy: -11.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -119.848011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.848011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.848011 (E_RNA) where: Base-Base interactions energy: -63.820 where: short stacking energy: -39.929 Base-Backbone interact. energy: -1.781 local terms energy: -54.247336 where: bonds (distance) C4'-P energy: -11.595 bonds (distance) P-C4' energy: -13.658 flat angles C4'-P-C4' energy: -11.568 flat angles P-C4'-P energy: -10.566 tors. eta vs tors. theta energy: -6.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -109.421842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.421842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.421842 (E_RNA) where: Base-Base interactions energy: -50.023 where: short stacking energy: -50.023 Base-Backbone interact. energy: -0.004 local terms energy: -59.395112 where: bonds (distance) C4'-P energy: -8.985 bonds (distance) P-C4' energy: -15.780 flat angles C4'-P-C4' energy: -11.893 flat angles P-C4'-P energy: -8.759 tors. eta vs tors. theta energy: -13.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -98.811533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.811533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.811533 (E_RNA) where: Base-Base interactions energy: -45.611 where: short stacking energy: -43.406 Base-Backbone interact. energy: -0.005 local terms energy: -53.195309 where: bonds (distance) C4'-P energy: -14.352 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -11.738 flat angles P-C4'-P energy: -7.127 tors. eta vs tors. theta energy: -5.978 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: 4 Temperature: 1.200000 Total energy: -95.599401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.599401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.599401 (E_RNA) where: Base-Base interactions energy: -48.327 where: short stacking energy: -37.010 Base-Backbone interact. energy: -0.098 local terms energy: -47.175016 where: bonds (distance) C4'-P energy: -11.003 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -10.709 tors. eta vs tors. theta energy: -7.950 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: 8, replica: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -80.471185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.471185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.471185 (E_RNA) where: Base-Base interactions energy: -41.197 where: short stacking energy: -40.976 Base-Backbone interact. energy: -0.185 local terms energy: -39.089997 where: bonds (distance) C4'-P energy: -7.904 bonds (distance) P-C4' energy: -11.986 flat angles C4'-P-C4' energy: -9.240 flat angles P-C4'-P energy: -4.685 tors. eta vs tors. theta energy: -5.275 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: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -92.863965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.863965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.863965 (E_RNA) where: Base-Base interactions energy: -47.547 where: short stacking energy: -47.547 Base-Backbone interact. energy: -0.099 local terms energy: -45.217962 where: bonds (distance) C4'-P energy: -9.814 bonds (distance) P-C4' energy: -10.994 flat angles C4'-P-C4' energy: -13.513 flat angles P-C4'-P energy: -2.549 tors. eta vs tors. theta energy: -8.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -67.390695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.390695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.390695 (E_RNA) where: Base-Base interactions energy: -29.077 where: short stacking energy: -14.606 Base-Backbone interact. energy: -0.134 local terms energy: -38.180048 where: bonds (distance) C4'-P energy: -9.586 bonds (distance) P-C4' energy: -12.286 flat angles C4'-P-C4' energy: -7.906 flat angles P-C4'-P energy: -7.147 tors. eta vs tors. theta energy: -1.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -141.600385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.600385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.600385 (E_RNA) where: Base-Base interactions energy: -76.464 where: short stacking energy: -57.865 Base-Backbone interact. energy: -1.294 local terms energy: -63.841884 where: bonds (distance) C4'-P energy: -13.891 bonds (distance) P-C4' energy: -16.467 flat angles C4'-P-C4' energy: -12.241 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -12.299 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: 4 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -133.483851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.483851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.483851 (E_RNA) where: Base-Base interactions energy: -80.957 where: short stacking energy: -43.976 Base-Backbone interact. energy: -0.336 local terms energy: -52.190243 where: bonds (distance) C4'-P energy: -9.689 bonds (distance) P-C4' energy: -12.098 flat angles C4'-P-C4' energy: -12.892 flat angles P-C4'-P energy: -11.154 tors. eta vs tors. theta energy: -6.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -135.347709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.347709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.347709 (E_RNA) where: Base-Base interactions energy: -74.386 where: short stacking energy: -53.116 Base-Backbone interact. energy: -0.078 local terms energy: -60.884065 where: bonds (distance) C4'-P energy: -12.302 bonds (distance) P-C4' energy: -14.320 flat angles C4'-P-C4' energy: -12.056 flat angles P-C4'-P energy: -9.424 tors. eta vs tors. theta energy: -12.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -109.509439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.509439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.509439 (E_RNA) where: Base-Base interactions energy: -51.956 where: short stacking energy: -37.894 Base-Backbone interact. energy: -0.118 local terms energy: -57.435363 where: bonds (distance) C4'-P energy: -13.605 bonds (distance) P-C4' energy: -15.083 flat angles C4'-P-C4' energy: -11.685 flat angles P-C4'-P energy: -9.690 tors. eta vs tors. theta energy: -7.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -111.485699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.485699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.485699 (E_RNA) where: Base-Base interactions energy: -61.844 where: short stacking energy: -37.845 Base-Backbone interact. energy: -0.354 local terms energy: -49.287534 where: bonds (distance) C4'-P energy: -11.594 bonds (distance) P-C4' energy: -13.102 flat angles C4'-P-C4' energy: -10.900 flat angles P-C4'-P energy: -6.821 tors. eta vs tors. theta energy: -6.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -101.225198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.225198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.225198 (E_RNA) where: Base-Base interactions energy: -48.630 where: short stacking energy: -40.596 Base-Backbone interact. energy: -0.055 local terms energy: -52.539668 where: bonds (distance) C4'-P energy: -12.505 bonds (distance) P-C4' energy: -11.947 flat angles C4'-P-C4' energy: -12.078 flat angles P-C4'-P energy: -4.897 tors. eta vs tors. theta energy: -11.113 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: 5 Temperature: 1.200000 Total energy: -87.719588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.719588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.719588 (E_RNA) where: Base-Base interactions energy: -35.784 where: short stacking energy: -32.575 Base-Backbone interact. energy: -1.040 local terms energy: -50.896227 where: bonds (distance) C4'-P energy: -11.431 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -7.838 flat angles P-C4'-P energy: -12.315 tors. eta vs tors. theta energy: -4.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -81.452934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.452934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.452934 (E_RNA) where: Base-Base interactions energy: -43.603 where: short stacking energy: -38.622 Base-Backbone interact. energy: 2.966 local terms energy: -40.816207 where: bonds (distance) C4'-P energy: -15.241 bonds (distance) P-C4' energy: -8.030 flat angles C4'-P-C4' energy: -6.426 flat angles P-C4'-P energy: -7.522 tors. eta vs tors. theta energy: -3.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -75.239921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.239921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.239921 (E_RNA) where: Base-Base interactions energy: -26.849 where: short stacking energy: -26.849 Base-Backbone interact. energy: -0.115 local terms energy: -48.275202 where: bonds (distance) C4'-P energy: -12.588 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -12.526 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: -5.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -69.493641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.493641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.493641 (E_RNA) where: Base-Base interactions energy: -29.287 where: short stacking energy: -24.504 Base-Backbone interact. energy: -0.223 local terms energy: -39.983092 where: bonds (distance) C4'-P energy: -7.962 bonds (distance) P-C4' energy: -9.931 flat angles C4'-P-C4' energy: -11.789 flat angles P-C4'-P energy: -9.210 tors. eta vs tors. theta energy: -1.090 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: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -160.496017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.496017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.496017 (E_RNA) where: Base-Base interactions energy: -105.588 where: short stacking energy: -67.810 Base-Backbone interact. energy: -0.096 local terms energy: -54.811955 where: bonds (distance) C4'-P energy: -7.591 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -15.690 flat angles P-C4'-P energy: -1.541 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: 2, replica: 4 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -143.377174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.377174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.377174 (E_RNA) where: Base-Base interactions energy: -89.666 where: short stacking energy: -58.851 Base-Backbone interact. energy: -0.477 local terms energy: -53.234676 where: bonds (distance) C4'-P energy: -9.493 bonds (distance) P-C4' energy: -11.684 flat angles C4'-P-C4' energy: -11.288 flat angles P-C4'-P energy: -9.498 tors. eta vs tors. theta energy: -11.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -115.763550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.763550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.763550 (E_RNA) where: Base-Base interactions energy: -55.949 where: short stacking energy: -49.708 Base-Backbone interact. energy: 1.351 local terms energy: -61.165724 where: bonds (distance) C4'-P energy: -12.986 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -12.581 flat angles P-C4'-P energy: -10.662 tors. eta vs tors. theta energy: -9.420 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: 1 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -111.655321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.655321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.655321 (E_RNA) where: Base-Base interactions energy: -56.695 where: short stacking energy: -40.897 Base-Backbone interact. energy: -0.029 local terms energy: -54.931859 where: bonds (distance) C4'-P energy: -12.629 bonds (distance) P-C4' energy: -13.484 flat angles C4'-P-C4' energy: -13.651 flat angles P-C4'-P energy: -7.241 tors. eta vs tors. theta energy: -7.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -105.035537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.035537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.035537 (E_RNA) where: Base-Base interactions energy: -45.860 where: short stacking energy: -44.702 Base-Backbone interact. energy: -0.684 local terms energy: -58.492076 where: bonds (distance) C4'-P energy: -14.016 bonds (distance) P-C4' energy: -14.185 flat angles C4'-P-C4' energy: -12.846 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -12.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -84.672841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.672841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.672841 (E_RNA) where: Base-Base interactions energy: -38.444 where: short stacking energy: -33.241 Base-Backbone interact. energy: -0.646 local terms energy: -45.583399 where: bonds (distance) C4'-P energy: -13.988 bonds (distance) P-C4' energy: -11.246 flat angles C4'-P-C4' energy: -8.458 flat angles P-C4'-P energy: -7.465 tors. eta vs tors. theta energy: -4.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -97.652376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.652376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.652376 (E_RNA) where: Base-Base interactions energy: -49.394 where: short stacking energy: -45.473 Base-Backbone interact. energy: -0.172 local terms energy: -48.086133 where: bonds (distance) C4'-P energy: -10.708 bonds (distance) P-C4' energy: -10.440 flat angles C4'-P-C4' energy: -11.212 flat angles P-C4'-P energy: -9.347 tors. eta vs tors. theta energy: -6.379 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: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -101.390426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.390426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.390426 (E_RNA) where: Base-Base interactions energy: -40.400 where: short stacking energy: -39.791 Base-Backbone interact. energy: -0.275 local terms energy: -60.715011 where: bonds (distance) C4'-P energy: -12.921 bonds (distance) P-C4' energy: -14.634 flat angles C4'-P-C4' energy: -14.469 flat angles P-C4'-P energy: -10.712 tors. eta vs tors. theta energy: -7.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -78.313985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.313985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.313985 (E_RNA) where: Base-Base interactions energy: -31.750 where: short stacking energy: -24.149 Base-Backbone interact. energy: -0.257 local terms energy: -46.307471 where: bonds (distance) C4'-P energy: -9.279 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -10.996 flat angles P-C4'-P energy: -8.495 tors. eta vs tors. theta energy: -2.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -80.729862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.729862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.729862 (E_RNA) where: Base-Base interactions energy: -32.141 where: short stacking energy: -32.141 Base-Backbone interact. energy: -0.012 local terms energy: -48.576807 where: bonds (distance) C4'-P energy: -7.888 bonds (distance) P-C4' energy: -12.381 flat angles C4'-P-C4' energy: -12.625 flat angles P-C4'-P energy: -8.894 tors. eta vs tors. theta energy: -6.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -166.116396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.116396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.116396 (E_RNA) where: Base-Base interactions energy: -101.507 where: short stacking energy: -63.017 Base-Backbone interact. energy: -0.318 local terms energy: -64.291827 where: bonds (distance) C4'-P energy: -12.409 bonds (distance) P-C4' energy: -13.683 flat angles C4'-P-C4' energy: -15.269 flat angles P-C4'-P energy: -5.900 tors. eta vs tors. theta energy: -17.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -154.744469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.744469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.744469 (E_RNA) where: Base-Base interactions energy: -93.734 where: short stacking energy: -60.465 Base-Backbone interact. energy: -0.025 local terms energy: -60.984907 where: bonds (distance) C4'-P energy: -10.703 bonds (distance) P-C4' energy: -15.355 flat angles C4'-P-C4' energy: -13.043 flat angles P-C4'-P energy: -8.375 tors. eta vs tors. theta energy: -13.509 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: 7 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -102.021737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.021737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.021737 (E_RNA) where: Base-Base interactions energy: -44.726 where: short stacking energy: -43.037 Base-Backbone interact. energy: -0.033 local terms energy: -57.262551 where: bonds (distance) C4'-P energy: -11.759 bonds (distance) P-C4' energy: -12.381 flat angles C4'-P-C4' energy: -13.497 flat angles P-C4'-P energy: -11.212 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: 4, replica: 6 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -113.522348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.522348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.522348 (E_RNA) where: Base-Base interactions energy: -60.197 where: short stacking energy: -60.197 Base-Backbone interact. energy: -0.058 local terms energy: -53.267411 where: bonds (distance) C4'-P energy: -10.567 bonds (distance) P-C4' energy: -10.924 flat angles C4'-P-C4' energy: -10.660 flat angles P-C4'-P energy: -9.508 tors. eta vs tors. theta energy: -11.609 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: 1 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -95.958244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.958244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.958244 (E_RNA) where: Base-Base interactions energy: -41.662 where: short stacking energy: -41.662 Base-Backbone interact. energy: -0.086 local terms energy: -54.209490 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -13.354 flat angles C4'-P-C4' energy: -13.778 flat angles P-C4'-P energy: -8.389 tors. eta vs tors. theta energy: -5.711 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: 5 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -90.860091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.860091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.860091 (E_RNA) where: Base-Base interactions energy: -42.120 where: short stacking energy: -40.916 Base-Backbone interact. energy: -0.195 local terms energy: -48.544740 where: bonds (distance) C4'-P energy: -13.603 bonds (distance) P-C4' energy: -11.623 flat angles C4'-P-C4' energy: -14.248 flat angles P-C4'-P energy: -4.096 tors. eta vs tors. theta energy: -4.974 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: 3 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -78.791386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.791386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.791386 (E_RNA) where: Base-Base interactions energy: -31.433 where: short stacking energy: -30.481 Base-Backbone interact. energy: -0.110 local terms energy: -47.247681 where: bonds (distance) C4'-P energy: -14.459 bonds (distance) P-C4' energy: -14.508 flat angles C4'-P-C4' energy: -9.422 flat angles P-C4'-P energy: -9.314 tors. eta vs tors. theta energy: 0.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -88.086433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.086433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.086433 (E_RNA) where: Base-Base interactions energy: -37.816 where: short stacking energy: -37.250 Base-Backbone interact. energy: -0.004 local terms energy: -50.266311 where: bonds (distance) C4'-P energy: -12.516 bonds (distance) P-C4' energy: -11.547 flat angles C4'-P-C4' energy: -10.646 flat angles P-C4'-P energy: -3.341 tors. eta vs tors. theta energy: -12.216 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: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -69.606752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.606752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.606752 (E_RNA) where: Base-Base interactions energy: -35.222 where: short stacking energy: -33.875 Base-Backbone interact. energy: 4.027 local terms energy: -38.412703 where: bonds (distance) C4'-P energy: -10.078 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -8.700 flat angles P-C4'-P energy: -2.533 tors. eta vs tors. theta energy: -2.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -84.807700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.807700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.807700 (E_RNA) where: Base-Base interactions energy: -34.443 where: short stacking energy: -34.231 Base-Backbone interact. energy: -0.004 local terms energy: -50.359924 where: bonds (distance) C4'-P energy: -11.581 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -13.599 flat angles P-C4'-P energy: -7.174 tors. eta vs tors. theta energy: -4.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -154.660050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.660050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.660050 (E_RNA) where: Base-Base interactions energy: -89.446 where: short stacking energy: -57.378 Base-Backbone interact. energy: -0.003 local terms energy: -65.211170 where: bonds (distance) C4'-P energy: -15.220 bonds (distance) P-C4' energy: -10.454 flat angles C4'-P-C4' energy: -12.730 flat angles P-C4'-P energy: -12.113 tors. eta vs tors. theta energy: -14.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -158.851024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.851024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.851024 (E_RNA) where: Base-Base interactions energy: -97.088 where: short stacking energy: -58.228 Base-Backbone interact. energy: -0.020 local terms energy: -61.743286 where: bonds (distance) C4'-P energy: -12.090 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -15.455 flat angles P-C4'-P energy: -7.617 tors. eta vs tors. theta energy: -13.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -116.958446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.958446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.958446 (E_RNA) where: Base-Base interactions energy: -58.699 where: short stacking energy: -58.699 Base-Backbone interact. energy: -0.000 local terms energy: -58.259393 where: bonds (distance) C4'-P energy: -11.110 bonds (distance) P-C4' energy: -9.712 flat angles C4'-P-C4' energy: -15.071 flat angles P-C4'-P energy: -6.556 tors. eta vs tors. theta energy: -15.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -108.893906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.893906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.893906 (E_RNA) where: Base-Base interactions energy: -47.131 where: short stacking energy: -42.779 Base-Backbone interact. energy: -0.515 local terms energy: -61.248456 where: bonds (distance) C4'-P energy: -14.422 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -10.169 flat angles P-C4'-P energy: -10.202 tors. eta vs tors. theta energy: -13.399 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: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -104.085729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.085729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.085729 (E_RNA) where: Base-Base interactions energy: -52.289 where: short stacking energy: -52.289 Base-Backbone interact. energy: -0.002 local terms energy: -51.794974 where: bonds (distance) C4'-P energy: -11.933 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -9.429 flat angles P-C4'-P energy: -7.936 tors. eta vs tors. theta energy: -11.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -97.005253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.005253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.005253 (E_RNA) where: Base-Base interactions energy: -45.770 where: short stacking energy: -45.770 Base-Backbone interact. energy: -0.022 local terms energy: -51.213115 where: bonds (distance) C4'-P energy: -10.533 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -13.154 flat angles P-C4'-P energy: -5.608 tors. eta vs tors. theta energy: -8.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -93.537941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.537941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.537941 (E_RNA) where: Base-Base interactions energy: -46.262 where: short stacking energy: -46.262 Base-Backbone interact. energy: 2.189 local terms energy: -49.464441 where: bonds (distance) C4'-P energy: -9.966 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -12.998 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -6.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -83.233027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.233027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.233027 (E_RNA) where: Base-Base interactions energy: -43.086 where: short stacking energy: -37.824 Base-Backbone interact. energy: -0.068 local terms energy: -40.078859 where: bonds (distance) C4'-P energy: -8.791 bonds (distance) P-C4' energy: -7.880 flat angles C4'-P-C4' energy: -12.503 flat angles P-C4'-P energy: -2.619 tors. eta vs tors. theta energy: -8.286 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: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -77.209852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.209852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.209852 (E_RNA) where: Base-Base interactions energy: -33.771 where: short stacking energy: -33.546 Base-Backbone interact. energy: -0.141 local terms energy: -43.297780 where: bonds (distance) C4'-P energy: -10.343 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -9.631 flat angles P-C4'-P energy: -5.552 tors. eta vs tors. theta energy: -2.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -74.063924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.063924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.063924 (E_RNA) where: Base-Base interactions energy: -29.254 where: short stacking energy: -29.254 Base-Backbone interact. energy: -0.006 local terms energy: -44.804343 where: bonds (distance) C4'-P energy: -14.438 bonds (distance) P-C4' energy: -13.726 flat angles C4'-P-C4' energy: -8.993 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -3.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -153.890853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.890853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.890853 (E_RNA) where: Base-Base interactions energy: -93.922 where: short stacking energy: -61.430 Base-Backbone interact. energy: -0.004 local terms energy: -59.965165 where: bonds (distance) C4'-P energy: -10.571 bonds (distance) P-C4' energy: -11.129 flat angles C4'-P-C4' energy: -14.060 flat angles P-C4'-P energy: -8.616 tors. eta vs tors. theta energy: -15.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -135.275802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.275802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.275802 (E_RNA) where: Base-Base interactions energy: -74.523 where: short stacking energy: -59.505 Base-Backbone interact. energy: -0.000 local terms energy: -60.752084 where: bonds (distance) C4'-P energy: -11.001 bonds (distance) P-C4' energy: -15.791 flat angles C4'-P-C4' energy: -8.369 flat angles P-C4'-P energy: -10.125 tors. eta vs tors. theta energy: -15.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -144.521498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.521498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.521498 (E_RNA) where: Base-Base interactions energy: -84.787 where: short stacking energy: -50.447 Base-Backbone interact. energy: -0.632 local terms energy: -59.102123 where: bonds (distance) C4'-P energy: -10.541 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -14.259 flat angles P-C4'-P energy: -7.116 tors. eta vs tors. theta energy: -12.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -106.371143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.371143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.371143 (E_RNA) where: Base-Base interactions energy: -48.462 where: short stacking energy: -45.433 Base-Backbone interact. energy: -0.042 local terms energy: -57.867062 where: bonds (distance) C4'-P energy: -15.551 bonds (distance) P-C4' energy: -10.669 flat angles C4'-P-C4' energy: -14.688 flat angles P-C4'-P energy: -6.959 tors. eta vs tors. theta energy: -10.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -98.529574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.529574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.529574 (E_RNA) where: Base-Base interactions energy: -48.697 where: short stacking energy: -47.082 Base-Backbone interact. energy: -0.052 local terms energy: -49.781205 where: bonds (distance) C4'-P energy: -10.455 bonds (distance) P-C4' energy: -10.256 flat angles C4'-P-C4' energy: -12.984 flat angles P-C4'-P energy: -5.469 tors. eta vs tors. theta energy: -10.617 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: 1 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -110.620613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.620613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.620613 (E_RNA) where: Base-Base interactions energy: -53.419 where: short stacking energy: -53.419 Base-Backbone interact. energy: -0.001 local terms energy: -57.200788 where: bonds (distance) C4'-P energy: -13.565 bonds (distance) P-C4' energy: -12.737 flat angles C4'-P-C4' energy: -13.762 flat angles P-C4'-P energy: -7.839 tors. eta vs tors. theta energy: -9.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -91.454317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.454317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.454317 (E_RNA) where: Base-Base interactions energy: -43.515 where: short stacking energy: -32.302 Base-Backbone interact. energy: -0.283 local terms energy: -47.657051 where: bonds (distance) C4'-P energy: -13.539 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -10.326 flat angles P-C4'-P energy: -9.754 tors. eta vs tors. theta energy: -1.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -93.259066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.259066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.259066 (E_RNA) where: Base-Base interactions energy: -44.059 where: short stacking energy: -44.059 Base-Backbone interact. energy: -0.007 local terms energy: -49.193573 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -10.092 flat angles P-C4'-P energy: -6.344 tors. eta vs tors. theta energy: -8.138 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: 3 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -82.515442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.515442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.515442 (E_RNA) where: Base-Base interactions energy: -35.983 where: short stacking energy: -32.856 Base-Backbone interact. energy: -0.098 local terms energy: -46.434255 where: bonds (distance) C4'-P energy: -10.025 bonds (distance) P-C4' energy: -13.440 flat angles C4'-P-C4' energy: -12.197 flat angles P-C4'-P energy: -6.701 tors. eta vs tors. theta energy: -4.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -76.791471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.791471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.791471 (E_RNA) where: Base-Base interactions energy: -34.019 where: short stacking energy: -31.687 Base-Backbone interact. energy: -0.204 local terms energy: -42.568213 where: bonds (distance) C4'-P energy: -9.806 bonds (distance) P-C4' energy: -12.228 flat angles C4'-P-C4' energy: -12.705 flat angles P-C4'-P energy: -1.916 tors. eta vs tors. theta energy: -5.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -151.962139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.962139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.962139 (E_RNA) where: Base-Base interactions energy: -83.917 where: short stacking energy: -62.070 Base-Backbone interact. energy: -0.001 local terms energy: -68.043980 where: bonds (distance) C4'-P energy: -14.318 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -14.571 flat angles P-C4'-P energy: -10.372 tors. eta vs tors. theta energy: -14.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -151.449131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.449131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.449131 (E_RNA) where: Base-Base interactions energy: -90.366 where: short stacking energy: -50.729 Base-Backbone interact. energy: -0.298 local terms energy: -60.784797 where: bonds (distance) C4'-P energy: -13.961 bonds (distance) P-C4' energy: -12.411 flat angles C4'-P-C4' energy: -13.980 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -12.858 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: 2 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -139.285107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.285107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.285107 (E_RNA) where: Base-Base interactions energy: -78.513 where: short stacking energy: -48.748 Base-Backbone interact. energy: -0.204 local terms energy: -60.567485 where: bonds (distance) C4'-P energy: -12.380 bonds (distance) P-C4' energy: -14.516 flat angles C4'-P-C4' energy: -10.231 flat angles P-C4'-P energy: -11.500 tors. eta vs tors. theta energy: -11.940 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: 7 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -106.442741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.442741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.442741 (E_RNA) where: Base-Base interactions energy: -49.721 where: short stacking energy: -46.888 Base-Backbone interact. energy: -0.001 local terms energy: -56.720432 where: bonds (distance) C4'-P energy: -12.500 bonds (distance) P-C4' energy: -13.842 flat angles C4'-P-C4' energy: -10.742 flat angles P-C4'-P energy: -9.636 tors. eta vs tors. theta energy: -10.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -103.814304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.814304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.814304 (E_RNA) where: Base-Base interactions energy: -44.828 where: short stacking energy: -44.828 Base-Backbone interact. energy: 0.687 local terms energy: -59.673267 where: bonds (distance) C4'-P energy: -14.326 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -12.790 flat angles P-C4'-P energy: -8.216 tors. eta vs tors. theta energy: -9.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -92.468700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.468700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.468700 (E_RNA) where: Base-Base interactions energy: -37.106 where: short stacking energy: -37.106 Base-Backbone interact. energy: -0.123 local terms energy: -55.239048 where: bonds (distance) C4'-P energy: -12.975 bonds (distance) P-C4' energy: -13.822 flat angles C4'-P-C4' energy: -13.564 flat angles P-C4'-P energy: -8.062 tors. eta vs tors. theta energy: -6.816 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: 9 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -88.456489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.456489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.456489 (E_RNA) where: Base-Base interactions energy: -37.227 where: short stacking energy: -32.938 Base-Backbone interact. energy: -0.313 local terms energy: -50.916637 where: bonds (distance) C4'-P energy: -14.102 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -8.746 flat angles P-C4'-P energy: -7.667 tors. eta vs tors. theta energy: -6.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -103.307167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.307167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.307167 (E_RNA) where: Base-Base interactions energy: -50.786 where: short stacking energy: -33.505 Base-Backbone interact. energy: -0.049 local terms energy: -52.472125 where: bonds (distance) C4'-P energy: -8.618 bonds (distance) P-C4' energy: -11.626 flat angles C4'-P-C4' energy: -14.148 flat angles P-C4'-P energy: -9.632 tors. eta vs tors. theta energy: -8.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -80.981601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.981601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.981601 (E_RNA) where: Base-Base interactions energy: -34.791 where: short stacking energy: -33.788 Base-Backbone interact. energy: -0.052 local terms energy: -46.138478 where: bonds (distance) C4'-P energy: -13.945 bonds (distance) P-C4' energy: -13.828 flat angles C4'-P-C4' energy: -8.051 flat angles P-C4'-P energy: -6.704 tors. eta vs tors. theta energy: -3.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -72.381905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.381905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.381905 (E_RNA) where: Base-Base interactions energy: -23.850 where: short stacking energy: -23.850 Base-Backbone interact. energy: -0.023 local terms energy: -48.508083 where: bonds (distance) C4'-P energy: -7.814 bonds (distance) P-C4' energy: -14.734 flat angles C4'-P-C4' energy: -13.624 flat angles P-C4'-P energy: -7.110 tors. eta vs tors. theta energy: -5.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -141.646645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.646645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.646645 (E_RNA) where: Base-Base interactions energy: -80.295 where: short stacking energy: -52.856 Base-Backbone interact. energy: -1.936 local terms energy: -59.415418 where: bonds (distance) C4'-P energy: -10.844 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -11.902 flat angles P-C4'-P energy: -10.390 tors. eta vs tors. theta energy: -13.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -133.901439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.901439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.901439 (E_RNA) where: Base-Base interactions energy: -83.758 where: short stacking energy: -57.984 Base-Backbone interact. energy: -0.143 local terms energy: -50.000391 where: bonds (distance) C4'-P energy: -11.146 bonds (distance) P-C4' energy: -9.945 flat angles C4'-P-C4' energy: -10.164 flat angles P-C4'-P energy: -7.375 tors. eta vs tors. theta energy: -11.370 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: 4 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -158.281029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.281029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.281029 (E_RNA) where: Base-Base interactions energy: -91.826 where: short stacking energy: -52.859 Base-Backbone interact. energy: -0.766 local terms energy: -65.689220 where: bonds (distance) C4'-P energy: -12.194 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -14.254 flat angles P-C4'-P energy: -8.952 tors. eta vs tors. theta energy: -14.512 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: 7 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -104.597682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.597682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.597682 (E_RNA) where: Base-Base interactions energy: -48.679 where: short stacking energy: -41.709 Base-Backbone interact. energy: -0.094 local terms energy: -55.824941 where: bonds (distance) C4'-P energy: -10.352 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -11.622 flat angles P-C4'-P energy: -11.334 tors. eta vs tors. theta energy: -8.958 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: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -101.668849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.668849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.668849 (E_RNA) where: Base-Base interactions energy: -54.292 where: short stacking energy: -54.292 Base-Backbone interact. energy: -0.065 local terms energy: -47.311067 where: bonds (distance) C4'-P energy: -10.620 bonds (distance) P-C4' energy: -9.955 flat angles C4'-P-C4' energy: -12.591 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -10.220 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: 9 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -93.039710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.039710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.039710 (E_RNA) where: Base-Base interactions energy: -43.429 where: short stacking energy: -43.429 Base-Backbone interact. energy: -0.270 local terms energy: -49.340266 where: bonds (distance) C4'-P energy: -11.693 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -11.430 flat angles P-C4'-P energy: -9.669 tors. eta vs tors. theta energy: -3.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -97.048046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.048046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.048046 (E_RNA) where: Base-Base interactions energy: -47.136 where: short stacking energy: -47.136 Base-Backbone interact. energy: 0.142 local terms energy: -50.054189 where: bonds (distance) C4'-P energy: -11.673 bonds (distance) P-C4' energy: -10.194 flat angles C4'-P-C4' energy: -14.003 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: -8.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -84.589823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.589823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.589823 (E_RNA) where: Base-Base interactions energy: -41.471 where: short stacking energy: -30.083 Base-Backbone interact. energy: -0.032 local terms energy: -43.086723 where: bonds (distance) C4'-P energy: -13.573 bonds (distance) P-C4' energy: -12.854 flat angles C4'-P-C4' energy: -10.596 flat angles P-C4'-P energy: -2.276 tors. eta vs tors. theta energy: -3.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -87.826927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.826927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.826927 (E_RNA) where: Base-Base interactions energy: -43.147 where: short stacking energy: -43.147 Base-Backbone interact. energy: -0.067 local terms energy: -44.612642 where: bonds (distance) C4'-P energy: -6.357 bonds (distance) P-C4' energy: -11.763 flat angles C4'-P-C4' energy: -10.622 flat angles P-C4'-P energy: -8.335 tors. eta vs tors. theta energy: -7.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -74.957854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.957854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.957854 (E_RNA) where: Base-Base interactions energy: -36.113 where: short stacking energy: -35.144 Base-Backbone interact. energy: 0.526 local terms energy: -39.371125 where: bonds (distance) C4'-P energy: -4.845 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -7.727 flat angles P-C4'-P energy: -7.720 tors. eta vs tors. theta energy: -5.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -144.564453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.564453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.564453 (E_RNA) where: Base-Base interactions energy: -81.203 where: short stacking energy: -50.367 Base-Backbone interact. energy: -0.070 local terms energy: -63.291641 where: bonds (distance) C4'-P energy: -12.472 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -15.005 flat angles P-C4'-P energy: -8.998 tors. eta vs tors. theta energy: -12.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -140.722956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.722956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.722956 (E_RNA) where: Base-Base interactions energy: -83.097 where: short stacking energy: -43.553 Base-Backbone interact. energy: -0.212 local terms energy: -57.414157 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -11.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -153.086806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.086806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.086806 (E_RNA) where: Base-Base interactions energy: -90.746 where: short stacking energy: -49.241 Base-Backbone interact. energy: -0.691 local terms energy: -61.650294 where: bonds (distance) C4'-P energy: -12.022 bonds (distance) P-C4' energy: -14.011 flat angles C4'-P-C4' energy: -13.988 flat angles P-C4'-P energy: -8.138 tors. eta vs tors. theta energy: -13.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -104.040164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.040164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.040164 (E_RNA) where: Base-Base interactions energy: -56.031 where: short stacking energy: -45.008 Base-Backbone interact. energy: -0.181 local terms energy: -47.828449 where: bonds (distance) C4'-P energy: -8.647 bonds (distance) P-C4' energy: -13.483 flat angles C4'-P-C4' energy: -12.544 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -8.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -106.345658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.345658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.345658 (E_RNA) where: Base-Base interactions energy: -46.653 where: short stacking energy: -44.726 Base-Backbone interact. energy: -0.054 local terms energy: -59.639182 where: bonds (distance) C4'-P energy: -14.798 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -12.278 flat angles P-C4'-P energy: -11.064 tors. eta vs tors. theta energy: -7.996 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: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -99.497681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.497681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.497681 (E_RNA) where: Base-Base interactions energy: -45.250 where: short stacking energy: -45.250 Base-Backbone interact. energy: -0.215 local terms energy: -54.033227 where: bonds (distance) C4'-P energy: -11.905 bonds (distance) P-C4' energy: -12.665 flat angles C4'-P-C4' energy: -12.274 flat angles P-C4'-P energy: -6.049 tors. eta vs tors. theta energy: -11.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -129.456349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.456349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.456349 (E_RNA) where: Base-Base interactions energy: -76.401 where: short stacking energy: -36.128 Base-Backbone interact. energy: -0.100 local terms energy: -52.955287 where: bonds (distance) C4'-P energy: -10.523 bonds (distance) P-C4' energy: -12.215 flat angles C4'-P-C4' energy: -11.651 flat angles P-C4'-P energy: -10.655 tors. eta vs tors. theta energy: -7.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -87.871978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.871978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.871978 (E_RNA) where: Base-Base interactions energy: -35.772 where: short stacking energy: -35.772 Base-Backbone interact. energy: -0.172 local terms energy: -51.928299 where: bonds (distance) C4'-P energy: -13.142 bonds (distance) P-C4' energy: -11.920 flat angles C4'-P-C4' energy: -11.710 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -5.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -80.470546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.470546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.470546 (E_RNA) where: Base-Base interactions energy: -33.651 where: short stacking energy: -33.651 Base-Backbone interact. energy: -0.023 local terms energy: -46.796595 where: bonds (distance) C4'-P energy: -12.986 bonds (distance) P-C4' energy: -12.376 flat angles C4'-P-C4' energy: -8.639 flat angles P-C4'-P energy: -6.000 tors. eta vs tors. theta energy: -6.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -68.501258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.501258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.501258 (E_RNA) where: Base-Base interactions energy: -27.368 where: short stacking energy: -22.615 Base-Backbone interact. energy: -0.797 local terms energy: -40.336502 where: bonds (distance) C4'-P energy: -11.733 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -10.914 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: 0.216 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: 13 Temperature: 0.900000 Total energy: -143.583310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.583310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.583310 (E_RNA) where: Base-Base interactions energy: -82.927 where: short stacking energy: -52.888 Base-Backbone interact. energy: -0.084 local terms energy: -60.572482 where: bonds (distance) C4'-P energy: -13.179 bonds (distance) P-C4' energy: -14.425 flat angles C4'-P-C4' energy: -10.972 flat angles P-C4'-P energy: -11.887 tors. eta vs tors. theta energy: -10.110 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: 2, replica: 4 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -169.758139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.758139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.758139 (E_RNA) where: Base-Base interactions energy: -112.898 where: short stacking energy: -58.314 Base-Backbone interact. energy: -1.075 local terms energy: -55.784686 where: bonds (distance) C4'-P energy: -12.658 bonds (distance) P-C4' energy: -14.508 flat angles C4'-P-C4' energy: -10.776 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -13.066 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: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -145.191357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.191357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.191357 (E_RNA) where: Base-Base interactions energy: -95.202 where: short stacking energy: -60.114 Base-Backbone interact. energy: -0.231 local terms energy: -49.758497 where: bonds (distance) C4'-P energy: -11.271 bonds (distance) P-C4' energy: -10.657 flat angles C4'-P-C4' energy: -13.670 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -9.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -109.018979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.018979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.018979 (E_RNA) where: Base-Base interactions energy: -54.512 where: short stacking energy: -50.065 Base-Backbone interact. energy: -0.047 local terms energy: -54.460465 where: bonds (distance) C4'-P energy: -10.285 bonds (distance) P-C4' energy: -14.544 flat angles C4'-P-C4' energy: -13.885 flat angles P-C4'-P energy: -6.671 tors. eta vs tors. theta energy: -9.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -100.887889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.887889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.887889 (E_RNA) where: Base-Base interactions energy: -46.670 where: short stacking energy: -46.285 Base-Backbone interact. energy: -0.161 local terms energy: -54.056949 where: bonds (distance) C4'-P energy: -10.981 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -12.963 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: -10.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -135.155715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.155715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.155715 (E_RNA) where: Base-Base interactions energy: -82.602 where: short stacking energy: -44.236 Base-Backbone interact. energy: 1.006 local terms energy: -53.559952 where: bonds (distance) C4'-P energy: -12.037 bonds (distance) P-C4' energy: -11.872 flat angles C4'-P-C4' energy: -15.013 flat angles P-C4'-P energy: -4.383 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: 7, replica: 5 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -83.131558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.131558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.131558 (E_RNA) where: Base-Base interactions energy: -34.063 where: short stacking energy: -34.063 Base-Backbone interact. energy: -0.148 local terms energy: -48.921398 where: bonds (distance) C4'-P energy: -12.418 bonds (distance) P-C4' energy: -10.552 flat angles C4'-P-C4' energy: -11.591 flat angles P-C4'-P energy: -9.007 tors. eta vs tors. theta energy: -5.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -84.990330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.990330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.990330 (E_RNA) where: Base-Base interactions energy: -35.059 where: short stacking energy: -34.473 Base-Backbone interact. energy: -0.191 local terms energy: -49.740754 where: bonds (distance) C4'-P energy: -12.376 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: -5.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -77.937084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.937084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.937084 (E_RNA) where: Base-Base interactions energy: -37.312 where: short stacking energy: -24.327 Base-Backbone interact. energy: -0.071 local terms energy: -40.553597 where: bonds (distance) C4'-P energy: -11.052 bonds (distance) P-C4' energy: -11.567 flat angles C4'-P-C4' energy: -10.441 flat angles P-C4'-P energy: -7.699 tors. eta vs tors. theta energy: 0.206 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: 8 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -84.494255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.494255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.494255 (E_RNA) where: Base-Base interactions energy: -40.578 where: short stacking energy: -40.847 Base-Backbone interact. energy: -0.041 local terms energy: -43.875337 where: bonds (distance) C4'-P energy: -3.450 bonds (distance) P-C4' energy: -10.997 flat angles C4'-P-C4' energy: -12.017 flat angles P-C4'-P energy: -10.119 tors. eta vs tors. theta energy: -7.292 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: 1, replica: 4 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -152.494135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.494135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.494135 (E_RNA) where: Base-Base interactions energy: -95.680 where: short stacking energy: -50.731 Base-Backbone interact. energy: -0.486 local terms energy: -56.328120 where: bonds (distance) C4'-P energy: -12.016 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -13.918 flat angles P-C4'-P energy: -8.363 tors. eta vs tors. theta energy: -8.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -140.667182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.667182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.667182 (E_RNA) where: Base-Base interactions energy: -81.989 where: short stacking energy: -51.949 Base-Backbone interact. energy: -0.004 local terms energy: -58.674058 where: bonds (distance) C4'-P energy: -12.851 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -12.199 flat angles P-C4'-P energy: -6.474 tors. eta vs tors. theta energy: -12.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -120.425425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.425425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.425425 (E_RNA) where: Base-Base interactions energy: -61.525 where: short stacking energy: -59.200 Base-Backbone interact. energy: -0.276 local terms energy: -58.625011 where: bonds (distance) C4'-P energy: -10.692 bonds (distance) P-C4' energy: -13.660 flat angles C4'-P-C4' energy: -12.281 flat angles P-C4'-P energy: -9.499 tors. eta vs tors. theta energy: -12.494 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: 4, replica: 2 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -145.197433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.197433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.197433 (E_RNA) where: Base-Base interactions energy: -88.124 where: short stacking energy: -52.182 Base-Backbone interact. energy: -0.270 local terms energy: -56.803089 where: bonds (distance) C4'-P energy: -13.784 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -9.362 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -14.830 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: 10 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -139.920407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.920407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.920407 (E_RNA) where: Base-Base interactions energy: -81.865 where: short stacking energy: -47.092 Base-Backbone interact. energy: -0.241 local terms energy: -57.814476 where: bonds (distance) C4'-P energy: -8.029 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -14.127 flat angles P-C4'-P energy: -7.412 tors. eta vs tors. theta energy: -13.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -108.048358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.048358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.048358 (E_RNA) where: Base-Base interactions energy: -51.901 where: short stacking energy: -37.750 Base-Backbone interact. energy: -0.628 local terms energy: -55.519485 where: bonds (distance) C4'-P energy: -13.713 bonds (distance) P-C4' energy: -14.550 flat angles C4'-P-C4' energy: -10.397 flat angles P-C4'-P energy: -6.420 tors. eta vs tors. theta energy: -10.439 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: 3 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -77.924600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.924600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.924600 (E_RNA) where: Base-Base interactions energy: -32.475 where: short stacking energy: -32.475 Base-Backbone interact. energy: -0.645 local terms energy: -44.804300 where: bonds (distance) C4'-P energy: -10.865 bonds (distance) P-C4' energy: -14.833 flat angles C4'-P-C4' energy: -9.939 flat angles P-C4'-P energy: -7.530 tors. eta vs tors. theta energy: -1.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -94.115505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.115505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.115505 (E_RNA) where: Base-Base interactions energy: -40.453 where: short stacking energy: -40.453 Base-Backbone interact. energy: -0.000 local terms energy: -53.662804 where: bonds (distance) C4'-P energy: -12.264 bonds (distance) P-C4' energy: -14.590 flat angles C4'-P-C4' energy: -9.096 flat angles P-C4'-P energy: -10.780 tors. eta vs tors. theta energy: -6.934 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: 8 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -84.842863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.842863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.842863 (E_RNA) where: Base-Base interactions energy: -39.387 where: short stacking energy: -39.387 Base-Backbone interact. energy: -0.002 local terms energy: -45.453388 where: bonds (distance) C4'-P energy: -12.761 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -10.123 flat angles P-C4'-P energy: -5.734 tors. eta vs tors. theta energy: -7.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -86.544127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.544127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.544127 (E_RNA) where: Base-Base interactions energy: -36.608 where: short stacking energy: -36.608 Base-Backbone interact. energy: -0.064 local terms energy: -49.872772 where: bonds (distance) C4'-P energy: -13.991 bonds (distance) P-C4' energy: -9.942 flat angles C4'-P-C4' energy: -10.392 flat angles P-C4'-P energy: -7.287 tors. eta vs tors. theta energy: -8.261 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: 15 Temperature: 0.900000 Total energy: -157.873910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.873910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.873910 (E_RNA) where: Base-Base interactions energy: -99.484 where: short stacking energy: -63.707 Base-Backbone interact. energy: -0.421 local terms energy: -57.968808 where: bonds (distance) C4'-P energy: -11.055 bonds (distance) P-C4' energy: -12.166 flat angles C4'-P-C4' energy: -11.576 flat angles P-C4'-P energy: -11.478 tors. eta vs tors. theta energy: -11.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -136.931944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.931944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.931944 (E_RNA) where: Base-Base interactions energy: -79.880 where: short stacking energy: -59.835 Base-Backbone interact. energy: -0.096 local terms energy: -56.955700 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -15.025 flat angles P-C4'-P energy: -6.782 tors. eta vs tors. theta energy: -7.913 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: 7 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -120.740872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.740872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.740872 (E_RNA) where: Base-Base interactions energy: -68.060 where: short stacking energy: -49.782 Base-Backbone interact. energy: -0.521 local terms energy: -52.159158 where: bonds (distance) C4'-P energy: -13.164 bonds (distance) P-C4' energy: -12.811 flat angles C4'-P-C4' energy: -10.948 flat angles P-C4'-P energy: -5.953 tors. eta vs tors. theta energy: -9.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -142.410649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.410649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.410649 (E_RNA) where: Base-Base interactions energy: -91.778 where: short stacking energy: -52.841 Base-Backbone interact. energy: -0.025 local terms energy: -50.608481 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -12.976 flat angles C4'-P-C4' energy: -12.902 flat angles P-C4'-P energy: -7.198 tors. eta vs tors. theta energy: -11.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -134.645848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.645848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.645848 (E_RNA) where: Base-Base interactions energy: -77.088 where: short stacking energy: -52.964 Base-Backbone interact. energy: -0.006 local terms energy: -57.551554 where: bonds (distance) C4'-P energy: -13.378 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -15.155 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: -11.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -90.672174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.672174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.672174 (E_RNA) where: Base-Base interactions energy: -50.630 where: short stacking energy: -33.155 Base-Backbone interact. energy: -0.577 local terms energy: -39.465466 where: bonds (distance) C4'-P energy: -11.590 bonds (distance) P-C4' energy: -14.010 flat angles C4'-P-C4' energy: -10.265 flat angles P-C4'-P energy: -1.482 tors. eta vs tors. theta energy: -2.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -90.773429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.773429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.773429 (E_RNA) where: Base-Base interactions energy: -38.711 where: short stacking energy: -34.184 Base-Backbone interact. energy: -0.029 local terms energy: -52.033342 where: bonds (distance) C4'-P energy: -7.794 bonds (distance) P-C4' energy: -12.358 flat angles C4'-P-C4' energy: -14.315 flat angles P-C4'-P energy: -10.515 tors. eta vs tors. theta energy: -7.052 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: 8, replica: 8 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -81.043538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.043538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.043538 (E_RNA) where: Base-Base interactions energy: -35.637 where: short stacking energy: -35.637 Base-Backbone interact. energy: 0.322 local terms energy: -45.728756 where: bonds (distance) C4'-P energy: -7.781 bonds (distance) P-C4' energy: -11.646 flat angles C4'-P-C4' energy: -12.263 flat angles P-C4'-P energy: -10.008 tors. eta vs tors. theta energy: -4.031 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: 5 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -85.446297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.446297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.446297 (E_RNA) where: Base-Base interactions energy: -38.690 where: short stacking energy: -38.690 Base-Backbone interact. energy: 0.144 local terms energy: -46.899943 where: bonds (distance) C4'-P energy: -7.134 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -10.476 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -8.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -66.984736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.984736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.984736 (E_RNA) where: Base-Base interactions energy: -25.414 where: short stacking energy: -26.521 Base-Backbone interact. energy: -0.219 local terms energy: -41.352203 where: bonds (distance) C4'-P energy: -9.702 bonds (distance) P-C4' energy: -11.037 flat angles C4'-P-C4' energy: -9.745 flat angles P-C4'-P energy: -8.845 tors. eta vs tors. theta energy: -2.023 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: 1, replica: 4 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -156.699377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.699377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.699377 (E_RNA) where: Base-Base interactions energy: -93.954 where: short stacking energy: -49.592 Base-Backbone interact. energy: -0.835 local terms energy: -61.909753 where: bonds (distance) C4'-P energy: -11.285 bonds (distance) P-C4' energy: -13.155 flat angles C4'-P-C4' energy: -13.939 flat angles P-C4'-P energy: -11.589 tors. eta vs tors. theta energy: -11.941 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: 2, replica: 6 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -147.713378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.713378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.713378 (E_RNA) where: Base-Base interactions energy: -90.877 where: short stacking energy: -63.739 Base-Backbone interact. energy: 0.898 local terms energy: -57.734564 where: bonds (distance) C4'-P energy: -9.901 bonds (distance) P-C4' energy: -12.180 flat angles C4'-P-C4' energy: -14.949 flat angles P-C4'-P energy: -8.503 tors. eta vs tors. theta energy: -12.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -147.925530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.925530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.925530 (E_RNA) where: Base-Base interactions energy: -89.833 where: short stacking energy: -56.150 Base-Backbone interact. energy: -0.002 local terms energy: -58.090154 where: bonds (distance) C4'-P energy: -11.395 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -11.157 flat angles P-C4'-P energy: -7.649 tors. eta vs tors. theta energy: -12.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -108.911603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.911603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.911603 (E_RNA) where: Base-Base interactions energy: -52.051 where: short stacking energy: -47.268 Base-Backbone interact. energy: -0.175 local terms energy: -56.685754 where: bonds (distance) C4'-P energy: -11.818 bonds (distance) P-C4' energy: -13.828 flat angles C4'-P-C4' energy: -14.788 flat angles P-C4'-P energy: -7.606 tors. eta vs tors. theta energy: -8.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -105.250086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.250086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.250086 (E_RNA) where: Base-Base interactions energy: -46.204 where: short stacking energy: -46.204 Base-Backbone interact. energy: -0.024 local terms energy: -59.021828 where: bonds (distance) C4'-P energy: -11.064 bonds (distance) P-C4' energy: -14.188 flat angles C4'-P-C4' energy: -14.856 flat angles P-C4'-P energy: -8.217 tors. eta vs tors. theta energy: -10.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -99.916989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.916989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.916989 (E_RNA) where: Base-Base interactions energy: -42.332 where: short stacking energy: -42.332 Base-Backbone interact. energy: -0.651 local terms energy: -56.933481 where: bonds (distance) C4'-P energy: -11.494 bonds (distance) P-C4' energy: -13.185 flat angles C4'-P-C4' energy: -13.553 flat angles P-C4'-P energy: -10.439 tors. eta vs tors. theta energy: -8.263 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: 16 Temperature: 1.200000 Total energy: -87.323403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.323403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.323403 (E_RNA) where: Base-Base interactions energy: -36.544 where: short stacking energy: -35.569 Base-Backbone interact. energy: -0.161 local terms energy: -50.618763 where: bonds (distance) C4'-P energy: -14.405 bonds (distance) P-C4' energy: -10.279 flat angles C4'-P-C4' energy: -11.976 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -10.107 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: 9 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -80.122707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.122707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.122707 (E_RNA) where: Base-Base interactions energy: -30.463 where: short stacking energy: -28.715 Base-Backbone interact. energy: -0.384 local terms energy: -49.275910 where: bonds (distance) C4'-P energy: -8.062 bonds (distance) P-C4' energy: -11.766 flat angles C4'-P-C4' energy: -14.652 flat angles P-C4'-P energy: -8.484 tors. eta vs tors. theta energy: -6.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -84.080062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.080062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.080062 (E_RNA) where: Base-Base interactions energy: -35.324 where: short stacking energy: -35.324 Base-Backbone interact. energy: -0.149 local terms energy: -48.607297 where: bonds (distance) C4'-P energy: -11.317 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -12.543 flat angles P-C4'-P energy: -8.862 tors. eta vs tors. theta energy: -2.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -77.149840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.149840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.149840 (E_RNA) where: Base-Base interactions energy: -33.611 where: short stacking energy: -33.611 Base-Backbone interact. energy: -0.031 local terms energy: -43.508184 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -10.479 flat angles C4'-P-C4' energy: -14.136 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -7.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -161.016996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.016996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.016996 (E_RNA) where: Base-Base interactions energy: -95.340 where: short stacking energy: -58.004 Base-Backbone interact. energy: -0.029 local terms energy: -65.647743 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -14.303 flat angles C4'-P-C4' energy: -14.848 flat angles P-C4'-P energy: -8.363 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: 2, replica: 10 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -143.093075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.093075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.093075 (E_RNA) where: Base-Base interactions energy: -83.963 where: short stacking energy: -51.037 Base-Backbone interact. energy: -0.025 local terms energy: -59.104304 where: bonds (distance) C4'-P energy: -13.105 bonds (distance) P-C4' energy: -13.306 flat angles C4'-P-C4' energy: -12.576 flat angles P-C4'-P energy: -7.165 tors. eta vs tors. theta energy: -12.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -164.944269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.944269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.944269 (E_RNA) where: Base-Base interactions energy: -102.950 where: short stacking energy: -61.760 Base-Backbone interact. energy: -0.007 local terms energy: -61.987485 where: bonds (distance) C4'-P energy: -14.044 bonds (distance) P-C4' energy: -14.274 flat angles C4'-P-C4' energy: -11.385 flat angles P-C4'-P energy: -9.358 tors. eta vs tors. theta energy: -12.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -94.466635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.466635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.466635 (E_RNA) where: Base-Base interactions energy: -49.157 where: short stacking energy: -46.020 Base-Backbone interact. energy: 1.457 local terms energy: -46.766865 where: bonds (distance) C4'-P energy: -5.500 bonds (distance) P-C4' energy: -11.296 flat angles C4'-P-C4' energy: -11.264 flat angles P-C4'-P energy: -12.435 tors. eta vs tors. theta energy: -6.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -96.806938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.806938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.806938 (E_RNA) where: Base-Base interactions energy: -47.535 where: short stacking energy: -43.816 Base-Backbone interact. energy: 2.117 local terms energy: -51.388467 where: bonds (distance) C4'-P energy: -9.833 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -11.918 flat angles P-C4'-P energy: -9.667 tors. eta vs tors. theta energy: -7.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -97.781496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.781496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.781496 (E_RNA) where: Base-Base interactions energy: -45.667 where: short stacking energy: -45.667 Base-Backbone interact. energy: -0.233 local terms energy: -51.880675 where: bonds (distance) C4'-P energy: -12.977 bonds (distance) P-C4' energy: -14.851 flat angles C4'-P-C4' energy: -9.177 flat angles P-C4'-P energy: -8.299 tors. eta vs tors. theta energy: -6.577 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: 8 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -91.234942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.234942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.234942 (E_RNA) where: Base-Base interactions energy: -36.209 where: short stacking energy: -35.617 Base-Backbone interact. energy: -0.002 local terms energy: -55.023942 where: bonds (distance) C4'-P energy: -12.872 bonds (distance) P-C4' energy: -13.845 flat angles C4'-P-C4' energy: -11.706 flat angles P-C4'-P energy: -6.228 tors. eta vs tors. theta energy: -10.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -94.347742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.347742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.347742 (E_RNA) where: Base-Base interactions energy: -44.027 where: short stacking energy: -44.027 Base-Backbone interact. energy: -0.015 local terms energy: -50.305584 where: bonds (distance) C4'-P energy: -9.163 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -13.114 flat angles P-C4'-P energy: -4.471 tors. eta vs tors. theta energy: -11.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -79.219209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.219209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.219209 (E_RNA) where: Base-Base interactions energy: -38.925 where: short stacking energy: -38.510 Base-Backbone interact. energy: 0.318 local terms energy: -40.612638 where: bonds (distance) C4'-P energy: -12.413 bonds (distance) P-C4' energy: -6.868 flat angles C4'-P-C4' energy: -7.492 flat angles P-C4'-P energy: -7.569 tors. eta vs tors. theta energy: -6.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -74.928355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.928355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.928355 (E_RNA) where: Base-Base interactions energy: -25.953 where: short stacking energy: -23.343 Base-Backbone interact. energy: -0.084 local terms energy: -48.892024 where: bonds (distance) C4'-P energy: -11.784 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -10.373 flat angles P-C4'-P energy: -7.964 tors. eta vs tors. theta energy: -5.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -157.820760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.820760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.820760 (E_RNA) where: Base-Base interactions energy: -98.420 where: short stacking energy: -63.326 Base-Backbone interact. energy: -0.468 local terms energy: -58.932326 where: bonds (distance) C4'-P energy: -12.898 bonds (distance) P-C4' energy: -14.022 flat angles C4'-P-C4' energy: -13.415 flat angles P-C4'-P energy: -6.232 tors. eta vs tors. theta energy: -12.365 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: 2, replica: 10 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -143.360529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.360529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.360529 (E_RNA) where: Base-Base interactions energy: -81.257 where: short stacking energy: -50.287 Base-Backbone interact. energy: -0.022 local terms energy: -62.081396 where: bonds (distance) C4'-P energy: -9.338 bonds (distance) P-C4' energy: -14.875 flat angles C4'-P-C4' energy: -14.496 flat angles P-C4'-P energy: -11.632 tors. eta vs tors. theta energy: -11.740 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: 6 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -148.063489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.063489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.063489 (E_RNA) where: Base-Base interactions energy: -80.265 where: short stacking energy: -56.548 Base-Backbone interact. energy: -0.000 local terms energy: -67.797887 where: bonds (distance) C4'-P energy: -15.091 bonds (distance) P-C4' energy: -14.660 flat angles C4'-P-C4' energy: -12.004 flat angles P-C4'-P energy: -9.527 tors. eta vs tors. theta energy: -16.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -98.143035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.143035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.143035 (E_RNA) where: Base-Base interactions energy: -48.661 where: short stacking energy: -48.151 Base-Backbone interact. energy: -0.059 local terms energy: -49.422812 where: bonds (distance) C4'-P energy: -14.819 bonds (distance) P-C4' energy: -11.051 flat angles C4'-P-C4' energy: -12.269 flat angles P-C4'-P energy: -5.392 tors. eta vs tors. theta energy: -5.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -101.477476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.477476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.477476 (E_RNA) where: Base-Base interactions energy: -49.826 where: short stacking energy: -40.149 Base-Backbone interact. energy: -0.551 local terms energy: -51.100071 where: bonds (distance) C4'-P energy: -10.446 bonds (distance) P-C4' energy: -12.550 flat angles C4'-P-C4' energy: -13.282 flat angles P-C4'-P energy: -7.709 tors. eta vs tors. theta energy: -7.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -94.174141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.174141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.174141 (E_RNA) where: Base-Base interactions energy: -37.274 where: short stacking energy: -37.274 Base-Backbone interact. energy: -0.039 local terms energy: -56.861425 where: bonds (distance) C4'-P energy: -8.887 bonds (distance) P-C4' energy: -16.035 flat angles C4'-P-C4' energy: -12.435 flat angles P-C4'-P energy: -8.901 tors. eta vs tors. theta energy: -10.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -91.219576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.219576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.219576 (E_RNA) where: Base-Base interactions energy: -42.491 where: short stacking energy: -40.656 Base-Backbone interact. energy: -0.039 local terms energy: -48.690479 where: bonds (distance) C4'-P energy: -8.340 bonds (distance) P-C4' energy: -11.620 flat angles C4'-P-C4' energy: -11.642 flat angles P-C4'-P energy: -11.208 tors. eta vs tors. theta energy: -5.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -97.178117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.178117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.178117 (E_RNA) where: Base-Base interactions energy: -42.103 where: short stacking energy: -42.103 Base-Backbone interact. energy: -0.001 local terms energy: -55.073557 where: bonds (distance) C4'-P energy: -12.769 bonds (distance) P-C4' energy: -13.072 flat angles C4'-P-C4' energy: -13.315 flat angles P-C4'-P energy: -9.238 tors. eta vs tors. theta energy: -6.679 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: 5 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -89.946950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.946950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.946950 (E_RNA) where: Base-Base interactions energy: -38.326 where: short stacking energy: -38.326 Base-Backbone interact. energy: -0.011 local terms energy: -51.609505 where: bonds (distance) C4'-P energy: -13.428 bonds (distance) P-C4' energy: -14.668 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -10.015 tors. eta vs tors. theta energy: -8.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -74.516382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.516382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.516382 (E_RNA) where: Base-Base interactions energy: -29.734 where: short stacking energy: -29.147 Base-Backbone interact. energy: -0.030 local terms energy: -44.751705 where: bonds (distance) C4'-P energy: -8.351 bonds (distance) P-C4' energy: -10.943 flat angles C4'-P-C4' energy: -9.597 flat angles P-C4'-P energy: -8.682 tors. eta vs tors. theta energy: -7.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -161.691237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.691237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.691237 (E_RNA) where: Base-Base interactions energy: -97.004 where: short stacking energy: -62.278 Base-Backbone interact. energy: -0.394 local terms energy: -64.293238 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -9.732 flat angles P-C4'-P energy: -10.619 tors. eta vs tors. theta energy: -15.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -164.858224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.858224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.858224 (E_RNA) where: Base-Base interactions energy: -103.683 where: short stacking energy: -62.746 Base-Backbone interact. energy: -0.178 local terms energy: -60.997626 where: bonds (distance) C4'-P energy: -10.691 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -9.735 flat angles P-C4'-P energy: -9.428 tors. eta vs tors. theta energy: -16.453 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: 10 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -134.520183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.520183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.520183 (E_RNA) where: Base-Base interactions energy: -78.829 where: short stacking energy: -44.034 Base-Backbone interact. energy: -0.106 local terms energy: -55.584766 where: bonds (distance) C4'-P energy: -15.245 bonds (distance) P-C4' energy: -8.986 flat angles C4'-P-C4' energy: -13.293 flat angles P-C4'-P energy: -7.144 tors. eta vs tors. theta energy: -10.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -146.521046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.521046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.521046 (E_RNA) where: Base-Base interactions energy: -84.336 where: short stacking energy: -49.974 Base-Backbone interact. energy: 0.070 local terms energy: -62.255592 where: bonds (distance) C4'-P energy: -15.026 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -12.574 flat angles P-C4'-P energy: -8.896 tors. eta vs tors. theta energy: -11.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -96.747750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.747750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.747750 (E_RNA) where: Base-Base interactions energy: -45.340 where: short stacking energy: -41.699 Base-Backbone interact. energy: 1.133 local terms energy: -52.540534 where: bonds (distance) C4'-P energy: -10.464 bonds (distance) P-C4' energy: -14.970 flat angles C4'-P-C4' energy: -13.401 flat angles P-C4'-P energy: -7.609 tors. eta vs tors. theta energy: -6.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -94.916476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.916476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.916476 (E_RNA) where: Base-Base interactions energy: -46.614 where: short stacking energy: -39.866 Base-Backbone interact. energy: -0.046 local terms energy: -48.256871 where: bonds (distance) C4'-P energy: -6.099 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -11.877 flat angles P-C4'-P energy: -7.111 tors. eta vs tors. theta energy: -7.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -92.146398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.146398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.146398 (E_RNA) where: Base-Base interactions energy: -43.597 where: short stacking energy: -43.597 Base-Backbone interact. energy: -0.475 local terms energy: -48.073803 where: bonds (distance) C4'-P energy: -10.996 bonds (distance) P-C4' energy: -12.204 flat angles C4'-P-C4' energy: -9.780 flat angles P-C4'-P energy: -7.249 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: 8, replica: 8 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -78.425112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.425112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.425112 (E_RNA) where: Base-Base interactions energy: -44.756 where: short stacking energy: -34.043 Base-Backbone interact. energy: -0.025 local terms energy: -33.644054 where: bonds (distance) C4'-P energy: -11.396 bonds (distance) P-C4' energy: -7.048 flat angles C4'-P-C4' energy: -8.258 flat angles P-C4'-P energy: -1.459 tors. eta vs tors. theta energy: -5.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -79.931353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.931353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.931353 (E_RNA) where: Base-Base interactions energy: -33.636 where: short stacking energy: -29.898 Base-Backbone interact. energy: -0.031 local terms energy: -46.264987 where: bonds (distance) C4'-P energy: -11.126 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -11.922 flat angles P-C4'-P energy: -9.330 tors. eta vs tors. theta energy: -0.844 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: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -80.284739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.284739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.284739 (E_RNA) where: Base-Base interactions energy: -38.317 where: short stacking energy: -32.381 Base-Backbone interact. energy: -0.039 local terms energy: -41.929132 where: bonds (distance) C4'-P energy: -7.660 bonds (distance) P-C4' energy: -10.488 flat angles C4'-P-C4' energy: -13.776 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -5.687 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: 1, replica: 4 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -154.664413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.664413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.664413 (E_RNA) where: Base-Base interactions energy: -91.820 where: short stacking energy: -59.921 Base-Backbone interact. energy: -0.001 local terms energy: -62.843702 where: bonds (distance) C4'-P energy: -12.699 bonds (distance) P-C4' energy: -14.550 flat angles C4'-P-C4' energy: -10.398 flat angles P-C4'-P energy: -8.819 tors. eta vs tors. theta energy: -16.377 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: 6 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -152.273481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.273481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.273481 (E_RNA) where: Base-Base interactions energy: -96.508 where: short stacking energy: -58.921 Base-Backbone interact. energy: 0.394 local terms energy: -56.160418 where: bonds (distance) C4'-P energy: -13.510 bonds (distance) P-C4' energy: -9.820 flat angles C4'-P-C4' energy: -13.460 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -14.019 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: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -149.183623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.183623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.183623 (E_RNA) where: Base-Base interactions energy: -85.228 where: short stacking energy: -48.887 Base-Backbone interact. energy: 0.602 local terms energy: -64.557715 where: bonds (distance) C4'-P energy: -14.218 bonds (distance) P-C4' energy: -15.178 flat angles C4'-P-C4' energy: -14.235 flat angles P-C4'-P energy: -9.139 tors. eta vs tors. theta energy: -11.788 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: 10 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -128.709042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.709042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.709042 (E_RNA) where: Base-Base interactions energy: -76.098 where: short stacking energy: -47.811 Base-Backbone interact. energy: -0.166 local terms energy: -52.444263 where: bonds (distance) C4'-P energy: -10.708 bonds (distance) P-C4' energy: -10.471 flat angles C4'-P-C4' energy: -10.862 flat angles P-C4'-P energy: -8.912 tors. eta vs tors. theta energy: -11.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -86.069337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.069337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.069337 (E_RNA) where: Base-Base interactions energy: -45.670 where: short stacking energy: -37.130 Base-Backbone interact. energy: -0.097 local terms energy: -40.301788 where: bonds (distance) C4'-P energy: -11.950 bonds (distance) P-C4' energy: -14.488 flat angles C4'-P-C4' energy: -8.171 flat angles P-C4'-P energy: -5.465 tors. eta vs tors. theta energy: -0.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -87.122724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.122724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.122724 (E_RNA) where: Base-Base interactions energy: -34.798 where: short stacking energy: -34.798 Base-Backbone interact. energy: -0.037 local terms energy: -52.287438 where: bonds (distance) C4'-P energy: -8.522 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -12.362 flat angles P-C4'-P energy: -7.239 tors. eta vs tors. theta energy: -9.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -102.375962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.375962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.375962 (E_RNA) where: Base-Base interactions energy: -49.040 where: short stacking energy: -49.040 Base-Backbone interact. energy: -0.101 local terms energy: -53.234693 where: bonds (distance) C4'-P energy: -10.562 bonds (distance) P-C4' energy: -12.403 flat angles C4'-P-C4' energy: -8.965 flat angles P-C4'-P energy: -9.510 tors. eta vs tors. theta energy: -11.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -95.548374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.548374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.548374 (E_RNA) where: Base-Base interactions energy: -47.184 where: short stacking energy: -45.195 Base-Backbone interact. energy: -0.002 local terms energy: -48.362388 where: bonds (distance) C4'-P energy: -13.444 bonds (distance) P-C4' energy: -9.897 flat angles C4'-P-C4' energy: -8.071 flat angles P-C4'-P energy: -7.511 tors. eta vs tors. theta energy: -9.440 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: 5 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -90.273062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.273062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.273062 (E_RNA) where: Base-Base interactions energy: -51.538 where: short stacking energy: -33.590 Base-Backbone interact. energy: -0.009 local terms energy: -38.726493 where: bonds (distance) C4'-P energy: -11.577 bonds (distance) P-C4' energy: -4.887 flat angles C4'-P-C4' energy: -9.515 flat angles P-C4'-P energy: -2.155 tors. eta vs tors. theta energy: -10.593 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: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -83.103086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.103086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.103086 (E_RNA) where: Base-Base interactions energy: -37.599 where: short stacking energy: -27.988 Base-Backbone interact. energy: -0.073 local terms energy: -45.430503 where: bonds (distance) C4'-P energy: -11.809 bonds (distance) P-C4' energy: -7.171 flat angles C4'-P-C4' energy: -12.208 flat angles P-C4'-P energy: -8.910 tors. eta vs tors. theta energy: -5.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -151.853090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.853090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.853090 (E_RNA) where: Base-Base interactions energy: -90.877 where: short stacking energy: -59.392 Base-Backbone interact. energy: -0.115 local terms energy: -60.861798 where: bonds (distance) C4'-P energy: -14.035 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -10.868 flat angles P-C4'-P energy: -7.147 tors. eta vs tors. theta energy: -13.270 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: 2 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -159.828211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.828211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.828211 (E_RNA) where: Base-Base interactions energy: -94.490 where: short stacking energy: -50.177 Base-Backbone interact. energy: -1.932 local terms energy: -63.406640 where: bonds (distance) C4'-P energy: -8.341 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -14.595 flat angles P-C4'-P energy: -10.806 tors. eta vs tors. theta energy: -15.033 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: 3, replica: 6 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -141.495125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.495125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.495125 (E_RNA) where: Base-Base interactions energy: -82.098 where: short stacking energy: -50.848 Base-Backbone interact. energy: 0.139 local terms energy: -59.535825 where: bonds (distance) C4'-P energy: -14.786 bonds (distance) P-C4' energy: -11.014 flat angles C4'-P-C4' energy: -12.245 flat angles P-C4'-P energy: -11.695 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: 4, replica: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -104.167277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.167277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.167277 (E_RNA) where: Base-Base interactions energy: -47.861 where: short stacking energy: -47.861 Base-Backbone interact. energy: -0.049 local terms energy: -56.257221 where: bonds (distance) C4'-P energy: -11.274 bonds (distance) P-C4' energy: -12.173 flat angles C4'-P-C4' energy: -13.158 flat angles P-C4'-P energy: -9.966 tors. eta vs tors. theta energy: -9.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -126.136901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.136901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.136901 (E_RNA) where: Base-Base interactions energy: -67.882 where: short stacking energy: -43.383 Base-Backbone interact. energy: -0.074 local terms energy: -58.181674 where: bonds (distance) C4'-P energy: -14.148 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -9.733 flat angles P-C4'-P energy: -12.497 tors. eta vs tors. theta energy: -8.093 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: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -89.616467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.616467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.616467 (E_RNA) where: Base-Base interactions energy: -44.889 where: short stacking energy: -39.635 Base-Backbone interact. energy: -0.180 local terms energy: -44.547135 where: bonds (distance) C4'-P energy: -10.124 bonds (distance) P-C4' energy: -12.021 flat angles C4'-P-C4' energy: -11.323 flat angles P-C4'-P energy: -7.713 tors. eta vs tors. theta energy: -3.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -90.294835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.294835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.294835 (E_RNA) where: Base-Base interactions energy: -43.950 where: short stacking energy: -40.675 Base-Backbone interact. energy: -0.222 local terms energy: -46.122726 where: bonds (distance) C4'-P energy: -10.361 bonds (distance) P-C4' energy: -11.606 flat angles C4'-P-C4' energy: -9.298 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -9.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -84.900914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.900914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.900914 (E_RNA) where: Base-Base interactions energy: -39.446 where: short stacking energy: -37.244 Base-Backbone interact. energy: -0.260 local terms energy: -45.194435 where: bonds (distance) C4'-P energy: -13.097 bonds (distance) P-C4' energy: -9.275 flat angles C4'-P-C4' energy: -10.240 flat angles P-C4'-P energy: -7.906 tors. eta vs tors. theta energy: -4.677 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: 7 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -75.679178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.679178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.679178 (E_RNA) where: Base-Base interactions energy: -32.909 where: short stacking energy: -32.655 Base-Backbone interact. energy: -0.324 local terms energy: -42.446341 where: bonds (distance) C4'-P energy: -9.081 bonds (distance) P-C4' energy: -10.667 flat angles C4'-P-C4' energy: -9.920 flat angles P-C4'-P energy: -9.494 tors. eta vs tors. theta energy: -3.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -79.662473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.662473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.662473 (E_RNA) where: Base-Base interactions energy: -31.332 where: short stacking energy: -27.854 Base-Backbone interact. energy: 0.004 local terms energy: -48.334390 where: bonds (distance) C4'-P energy: -12.209 bonds (distance) P-C4' energy: -12.415 flat angles C4'-P-C4' energy: -12.875 flat angles P-C4'-P energy: -7.616 tors. eta vs tors. theta energy: -3.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -158.616689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.616689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.616689 (E_RNA) where: Base-Base interactions energy: -98.566 where: short stacking energy: -63.415 Base-Backbone interact. energy: -0.062 local terms energy: -59.988281 where: bonds (distance) C4'-P energy: -12.512 bonds (distance) P-C4' energy: -14.190 flat angles C4'-P-C4' energy: -11.867 flat angles P-C4'-P energy: -7.763 tors. eta vs tors. theta energy: -13.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -146.316365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.316365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.316365 (E_RNA) where: Base-Base interactions energy: -89.216 where: short stacking energy: -53.669 Base-Backbone interact. energy: -0.168 local terms energy: -56.932743 where: bonds (distance) C4'-P energy: -9.914 bonds (distance) P-C4' energy: -11.698 flat angles C4'-P-C4' energy: -12.832 flat angles P-C4'-P energy: -11.902 tors. eta vs tors. theta energy: -10.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -138.159045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.159045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.159045 (E_RNA) where: Base-Base interactions energy: -82.909 where: short stacking energy: -55.536 Base-Backbone interact. energy: -0.010 local terms energy: -55.239707 where: bonds (distance) C4'-P energy: -12.347 bonds (distance) P-C4' energy: -15.068 flat angles C4'-P-C4' energy: -11.465 flat angles P-C4'-P energy: -6.428 tors. eta vs tors. theta energy: -9.931 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: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -117.259017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.259017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.259017 (E_RNA) where: Base-Base interactions energy: -59.374 where: short stacking energy: -56.972 Base-Backbone interact. energy: -0.182 local terms energy: -57.702853 where: bonds (distance) C4'-P energy: -13.030 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -9.465 flat angles P-C4'-P energy: -8.139 tors. eta vs tors. theta energy: -12.705 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: 5, replica: 8 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -109.024104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.024104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.024104 (E_RNA) where: Base-Base interactions energy: -47.754 where: short stacking energy: -47.754 Base-Backbone interact. energy: -0.007 local terms energy: -61.262698 where: bonds (distance) C4'-P energy: -14.654 bonds (distance) P-C4' energy: -13.617 flat angles C4'-P-C4' energy: -15.425 flat angles P-C4'-P energy: -8.543 tors. eta vs tors. theta energy: -9.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -125.564667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.564667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.564667 (E_RNA) where: Base-Base interactions energy: -71.869 where: short stacking energy: -43.931 Base-Backbone interact. energy: -0.079 local terms energy: -53.617353 where: bonds (distance) C4'-P energy: -12.480 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -11.709 flat angles P-C4'-P energy: -9.821 tors. eta vs tors. theta energy: -7.175 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: 3 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -84.499156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.499156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.499156 (E_RNA) where: Base-Base interactions energy: -31.397 where: short stacking energy: -31.397 Base-Backbone interact. energy: -0.496 local terms energy: -52.606120 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -11.500 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -12.534 tors. eta vs tors. theta energy: -7.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -82.151421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.151421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.151421 (E_RNA) where: Base-Base interactions energy: -33.467 where: short stacking energy: -33.467 Base-Backbone interact. energy: -0.160 local terms energy: -48.523805 where: bonds (distance) C4'-P energy: -11.764 bonds (distance) P-C4' energy: -10.936 flat angles C4'-P-C4' energy: -10.498 flat angles P-C4'-P energy: -9.841 tors. eta vs tors. theta energy: -5.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -70.321932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.321932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.321932 (E_RNA) where: Base-Base interactions energy: -27.801 where: short stacking energy: -26.102 Base-Backbone interact. energy: -0.287 local terms energy: -42.233278 where: bonds (distance) C4'-P energy: -11.514 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -12.334 flat angles P-C4'-P energy: -3.299 tors. eta vs tors. theta energy: -1.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -66.589206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.589206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.589206 (E_RNA) where: Base-Base interactions energy: -28.174 where: short stacking energy: -27.867 Base-Backbone interact. energy: -0.112 local terms energy: -38.303728 where: bonds (distance) C4'-P energy: -8.397 bonds (distance) P-C4' energy: -14.575 flat angles C4'-P-C4' energy: -6.760 flat angles P-C4'-P energy: -9.144 tors. eta vs tors. theta energy: 0.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -152.775882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.775882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.775882 (E_RNA) where: Base-Base interactions energy: -91.231 where: short stacking energy: -60.061 Base-Backbone interact. energy: -0.001 local terms energy: -61.543937 where: bonds (distance) C4'-P energy: -10.665 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -12.019 flat angles P-C4'-P energy: -11.226 tors. eta vs tors. theta energy: -12.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -143.983734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.983734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.983734 (E_RNA) where: Base-Base interactions energy: -85.774 where: short stacking energy: -51.143 Base-Backbone interact. energy: -0.401 local terms energy: -57.808733 where: bonds (distance) C4'-P energy: -13.238 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -13.095 flat angles P-C4'-P energy: -8.826 tors. eta vs tors. theta energy: -9.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -142.847639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.847639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.847639 (E_RNA) where: Base-Base interactions energy: -85.573 where: short stacking energy: -53.888 Base-Backbone interact. energy: -0.009 local terms energy: -57.264917 where: bonds (distance) C4'-P energy: -10.678 bonds (distance) P-C4' energy: -14.851 flat angles C4'-P-C4' energy: -11.017 flat angles P-C4'-P energy: -9.673 tors. eta vs tors. theta energy: -11.046 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: 4, replica: 1 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -123.300102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.300102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.300102 (E_RNA) where: Base-Base interactions energy: -64.243 where: short stacking energy: -50.160 Base-Backbone interact. energy: -0.092 local terms energy: -58.965916 where: bonds (distance) C4'-P energy: -11.114 bonds (distance) P-C4' energy: -13.010 flat angles C4'-P-C4' energy: -13.843 flat angles P-C4'-P energy: -10.053 tors. eta vs tors. theta energy: -10.945 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: 8 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -91.872762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.872762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.872762 (E_RNA) where: Base-Base interactions energy: -42.472 where: short stacking energy: -34.981 Base-Backbone interact. energy: -0.295 local terms energy: -49.104797 where: bonds (distance) C4'-P energy: -8.881 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -12.490 flat angles P-C4'-P energy: -9.675 tors. eta vs tors. theta energy: -4.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -127.498988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.498988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.498988 (E_RNA) where: Base-Base interactions energy: -82.330 where: short stacking energy: -48.586 Base-Backbone interact. energy: 0.268 local terms energy: -45.436802 where: bonds (distance) C4'-P energy: -7.500 bonds (distance) P-C4' energy: -9.539 flat angles C4'-P-C4' energy: -13.842 flat angles P-C4'-P energy: -5.820 tors. eta vs tors. theta energy: -8.735 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: 7, replica: 3 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -89.902628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.902628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.902628 (E_RNA) where: Base-Base interactions energy: -33.365 where: short stacking energy: -32.114 Base-Backbone interact. energy: -0.021 local terms energy: -56.515774 where: bonds (distance) C4'-P energy: -15.133 bonds (distance) P-C4' energy: -15.008 flat angles C4'-P-C4' energy: -14.022 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -5.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -88.627860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.627860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.627860 (E_RNA) where: Base-Base interactions energy: -43.700 where: short stacking energy: -43.368 Base-Backbone interact. energy: -1.425 local terms energy: -43.502223 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -9.246 flat angles C4'-P-C4' energy: -7.947 flat angles P-C4'-P energy: -9.535 tors. eta vs tors. theta energy: -9.678 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: 5 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -77.314333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.314333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.314333 (E_RNA) where: Base-Base interactions energy: -34.299 where: short stacking energy: -33.016 Base-Backbone interact. energy: -0.143 local terms energy: -42.872084 where: bonds (distance) C4'-P energy: -12.277 bonds (distance) P-C4' energy: -11.493 flat angles C4'-P-C4' energy: -11.837 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -3.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -83.704904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.704904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.704904 (E_RNA) where: Base-Base interactions energy: -39.142 where: short stacking energy: -33.974 Base-Backbone interact. energy: -0.081 local terms energy: -44.482049 where: bonds (distance) C4'-P energy: -6.305 bonds (distance) P-C4' energy: -11.692 flat angles C4'-P-C4' energy: -11.296 flat angles P-C4'-P energy: -7.521 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: 2 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -170.785267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.785267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.785267 (E_RNA) where: Base-Base interactions energy: -108.297 where: short stacking energy: -58.480 Base-Backbone interact. energy: -1.095 local terms energy: -61.393024 where: bonds (distance) C4'-P energy: -14.946 bonds (distance) P-C4' energy: -11.829 flat angles C4'-P-C4' energy: -13.086 flat angles P-C4'-P energy: -9.322 tors. eta vs tors. theta energy: -12.209 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: 24 Temperature: 0.950000 Total energy: -159.443146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.443146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.443146 (E_RNA) where: Base-Base interactions energy: -97.348 where: short stacking energy: -63.694 Base-Backbone interact. energy: -0.028 local terms energy: -62.067490 where: bonds (distance) C4'-P energy: -10.843 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -13.688 flat angles P-C4'-P energy: -9.434 tors. eta vs tors. theta energy: -15.024 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: 3, replica: 6 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -138.634802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.634802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.634802 (E_RNA) where: Base-Base interactions energy: -81.488 where: short stacking energy: -47.917 Base-Backbone interact. energy: -0.002 local terms energy: -57.143994 where: bonds (distance) C4'-P energy: -11.299 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -12.938 flat angles P-C4'-P energy: -8.616 tors. eta vs tors. theta energy: -8.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -102.135151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.135151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.135151 (E_RNA) where: Base-Base interactions energy: -45.509 where: short stacking energy: -38.950 Base-Backbone interact. energy: -0.316 local terms energy: -56.309989 where: bonds (distance) C4'-P energy: -9.507 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -14.405 flat angles P-C4'-P energy: -9.269 tors. eta vs tors. theta energy: -8.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -128.754554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.754554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.754554 (E_RNA) where: Base-Base interactions energy: -75.847 where: short stacking energy: -41.204 Base-Backbone interact. energy: -0.094 local terms energy: -52.814407 where: bonds (distance) C4'-P energy: -11.859 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -13.792 flat angles P-C4'-P energy: -5.391 tors. eta vs tors. theta energy: -6.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -101.720896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.720896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.720896 (E_RNA) where: Base-Base interactions energy: -50.065 where: short stacking energy: -45.133 Base-Backbone interact. energy: -0.020 local terms energy: -51.635826 where: bonds (distance) C4'-P energy: -10.450 bonds (distance) P-C4' energy: -10.738 flat angles C4'-P-C4' energy: -12.029 flat angles P-C4'-P energy: -7.577 tors. eta vs tors. theta energy: -10.841 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: 9 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -84.539904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.539904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.539904 (E_RNA) where: Base-Base interactions energy: -33.698 where: short stacking energy: -33.698 Base-Backbone interact. energy: -0.004 local terms energy: -50.837731 where: bonds (distance) C4'-P energy: -13.377 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -8.135 flat angles P-C4'-P energy: -8.415 tors. eta vs tors. theta energy: -7.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -93.299059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.299059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.299059 (E_RNA) where: Base-Base interactions energy: -37.648 where: short stacking energy: -37.648 Base-Backbone interact. energy: -0.170 local terms energy: -55.481342 where: bonds (distance) C4'-P energy: -9.689 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -14.365 flat angles P-C4'-P energy: -6.829 tors. eta vs tors. theta energy: -9.122 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: 7 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -71.291309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.291309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.291309 (E_RNA) where: Base-Base interactions energy: -29.066 where: short stacking energy: -29.066 Base-Backbone interact. energy: -0.254 local terms energy: -41.970677 where: bonds (distance) C4'-P energy: -6.987 bonds (distance) P-C4' energy: -9.253 flat angles C4'-P-C4' energy: -13.972 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -7.650 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: 5 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -70.072246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.072246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.072246 (E_RNA) where: Base-Base interactions energy: -28.797 where: short stacking energy: -25.800 Base-Backbone interact. energy: -0.086 local terms energy: -41.188578 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -10.168 flat angles C4'-P-C4' energy: -11.737 flat angles P-C4'-P energy: -8.116 tors. eta vs tors. theta energy: -3.953 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: 2 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -169.944010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.944010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.944010 (E_RNA) where: Base-Base interactions energy: -109.537 where: short stacking energy: -66.221 Base-Backbone interact. energy: -0.213 local terms energy: -60.193678 where: bonds (distance) C4'-P energy: -12.479 bonds (distance) P-C4' energy: -13.036 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -10.061 tors. eta vs tors. theta energy: -17.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -154.414821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.414821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.414821 (E_RNA) where: Base-Base interactions energy: -92.051 where: short stacking energy: -57.348 Base-Backbone interact. energy: -0.065 local terms energy: -62.298925 where: bonds (distance) C4'-P energy: -11.312 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -12.709 flat angles P-C4'-P energy: -9.611 tors. eta vs tors. theta energy: -13.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -171.860809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.860809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.860809 (E_RNA) where: Base-Base interactions energy: -103.561 where: short stacking energy: -62.614 Base-Backbone interact. energy: -0.001 local terms energy: -68.299189 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -14.664 flat angles C4'-P-C4' energy: -12.957 flat angles P-C4'-P energy: -10.948 tors. eta vs tors. theta energy: -17.126 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: 10 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -144.355253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.355253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.355253 (E_RNA) where: Base-Base interactions energy: -89.672 where: short stacking energy: -61.825 Base-Backbone interact. energy: -0.000 local terms energy: -54.683131 where: bonds (distance) C4'-P energy: -12.004 bonds (distance) P-C4' energy: -10.682 flat angles C4'-P-C4' energy: -9.513 flat angles P-C4'-P energy: -11.507 tors. eta vs tors. theta energy: -10.977 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: 5, replica: 1 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -103.469543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.469543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.469543 (E_RNA) where: Base-Base interactions energy: -48.514 where: short stacking energy: -48.514 Base-Backbone interact. energy: -0.906 local terms energy: -54.049232 where: bonds (distance) C4'-P energy: -11.916 bonds (distance) P-C4' energy: -13.160 flat angles C4'-P-C4' energy: -13.783 flat angles P-C4'-P energy: -7.969 tors. eta vs tors. theta energy: -7.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -98.435311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.435311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.435311 (E_RNA) where: Base-Base interactions energy: -56.865 where: short stacking energy: -37.439 Base-Backbone interact. energy: -1.142 local terms energy: -40.427846 where: bonds (distance) C4'-P energy: -8.749 bonds (distance) P-C4' energy: -13.379 flat angles C4'-P-C4' energy: -9.981 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -4.314 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: 8 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -91.242070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.242070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.242070 (E_RNA) where: Base-Base interactions energy: -47.849 where: short stacking energy: -23.036 Base-Backbone interact. energy: -0.164 local terms energy: -43.229508 where: bonds (distance) C4'-P energy: -12.417 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -12.985 flat angles P-C4'-P energy: -8.304 tors. eta vs tors. theta energy: 3.315 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: 7 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -79.804664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.804664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.804664 (E_RNA) where: Base-Base interactions energy: -33.693 where: short stacking energy: -30.264 Base-Backbone interact. energy: -0.084 local terms energy: -46.027753 where: bonds (distance) C4'-P energy: -13.794 bonds (distance) P-C4' energy: -12.265 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -6.468 tors. eta vs tors. theta energy: -7.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -83.509417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.509417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.509417 (E_RNA) where: Base-Base interactions energy: -31.694 where: short stacking energy: -31.455 Base-Backbone interact. energy: -0.303 local terms energy: -51.511777 where: bonds (distance) C4'-P energy: -12.123 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -6.854 tors. eta vs tors. theta energy: -10.033 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: 5 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -82.777576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.777576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.777576 (E_RNA) where: Base-Base interactions energy: -35.753 where: short stacking energy: -35.753 Base-Backbone interact. energy: -0.349 local terms energy: -46.675451 where: bonds (distance) C4'-P energy: -11.191 bonds (distance) P-C4' energy: -14.761 flat angles C4'-P-C4' energy: -12.404 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -3.491 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: 2 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -161.741121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.741121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.741121 (E_RNA) where: Base-Base interactions energy: -102.733 where: short stacking energy: -60.508 Base-Backbone interact. energy: -0.287 local terms energy: -58.721289 where: bonds (distance) C4'-P energy: -9.897 bonds (distance) P-C4' energy: -12.399 flat angles C4'-P-C4' energy: -13.152 flat angles P-C4'-P energy: -10.079 tors. eta vs tors. theta energy: -13.193 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: 4 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -141.428507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.428507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.428507 (E_RNA) where: Base-Base interactions energy: -81.521 where: short stacking energy: -53.397 Base-Backbone interact. energy: 0.086 local terms energy: -59.993852 where: bonds (distance) C4'-P energy: -12.320 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -15.454 flat angles P-C4'-P energy: -8.045 tors. eta vs tors. theta energy: -10.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -144.313580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.313580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.313580 (E_RNA) where: Base-Base interactions energy: -84.120 where: short stacking energy: -57.895 Base-Backbone interact. energy: -0.003 local terms energy: -60.190179 where: bonds (distance) C4'-P energy: -12.964 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -12.145 flat angles P-C4'-P energy: -8.457 tors. eta vs tors. theta energy: -12.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -162.048095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.048095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.048095 (E_RNA) where: Base-Base interactions energy: -100.013 where: short stacking energy: -69.474 Base-Backbone interact. energy: -0.001 local terms energy: -62.034537 where: bonds (distance) C4'-P energy: -15.088 bonds (distance) P-C4' energy: -12.148 flat angles C4'-P-C4' energy: -9.489 flat angles P-C4'-P energy: -7.417 tors. eta vs tors. theta energy: -17.893 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: 26 Temperature: 1.100000 Total energy: -102.877583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.877583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.877583 (E_RNA) where: Base-Base interactions energy: -47.004 where: short stacking energy: -45.847 Base-Backbone interact. energy: -0.079 local terms energy: -55.794521 where: bonds (distance) C4'-P energy: -11.875 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -13.425 flat angles P-C4'-P energy: -7.401 tors. eta vs tors. theta energy: -8.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -94.050122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.050122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.050122 (E_RNA) where: Base-Base interactions energy: -43.722 where: short stacking energy: -41.970 Base-Backbone interact. energy: -0.026 local terms energy: -50.302095 where: bonds (distance) C4'-P energy: -12.103 bonds (distance) P-C4' energy: -10.038 flat angles C4'-P-C4' energy: -11.774 flat angles P-C4'-P energy: -7.919 tors. eta vs tors. theta energy: -8.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -97.142495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.142495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.142495 (E_RNA) where: Base-Base interactions energy: -48.410 where: short stacking energy: -48.410 Base-Backbone interact. energy: -0.043 local terms energy: -48.689009 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -9.545 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -6.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -81.951715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.951715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.951715 (E_RNA) where: Base-Base interactions energy: -37.353 where: short stacking energy: -21.470 Base-Backbone interact. energy: -0.178 local terms energy: -44.420697 where: bonds (distance) C4'-P energy: -13.597 bonds (distance) P-C4' energy: -10.452 flat angles C4'-P-C4' energy: -13.497 flat angles P-C4'-P energy: -6.268 tors. eta vs tors. theta energy: -0.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -76.608303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.608303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.608303 (E_RNA) where: Base-Base interactions energy: -40.500 where: short stacking energy: -40.299 Base-Backbone interact. energy: -0.134 local terms energy: -35.974252 where: bonds (distance) C4'-P energy: -9.250 bonds (distance) P-C4' energy: -12.234 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -73.759513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.759513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.759513 (E_RNA) where: Base-Base interactions energy: -33.894 where: short stacking energy: -29.428 Base-Backbone interact. energy: -0.066 local terms energy: -39.799133 where: bonds (distance) C4'-P energy: -4.108 bonds (distance) P-C4' energy: -10.838 flat angles C4'-P-C4' energy: -10.222 flat angles P-C4'-P energy: -7.664 tors. eta vs tors. theta energy: -6.967 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: 2 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -158.779955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.779955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.779955 (E_RNA) where: Base-Base interactions energy: -90.373 where: short stacking energy: -59.755 Base-Backbone interact. energy: -0.194 local terms energy: -68.212854 where: bonds (distance) C4'-P energy: -12.389 bonds (distance) P-C4' energy: -12.366 flat angles C4'-P-C4' energy: -14.280 flat angles P-C4'-P energy: -12.168 tors. eta vs tors. theta energy: -17.010 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: 10 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -148.485135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.485135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.485135 (E_RNA) where: Base-Base interactions energy: -90.288 where: short stacking energy: -53.663 Base-Backbone interact. energy: -0.001 local terms energy: -58.195761 where: bonds (distance) C4'-P energy: -11.403 bonds (distance) P-C4' energy: -10.916 flat angles C4'-P-C4' energy: -10.959 flat angles P-C4'-P energy: -11.399 tors. eta vs tors. theta energy: -13.519 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: 3, replica: 4 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -131.015694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.015694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.015694 (E_RNA) where: Base-Base interactions energy: -81.915 where: short stacking energy: -45.716 Base-Backbone interact. energy: 0.417 local terms energy: -49.517450 where: bonds (distance) C4'-P energy: -11.839 bonds (distance) P-C4' energy: -14.847 flat angles C4'-P-C4' energy: -11.260 flat angles P-C4'-P energy: -7.734 tors. eta vs tors. theta energy: -3.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -116.059510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.059510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.059510 (E_RNA) where: Base-Base interactions energy: -51.004 where: short stacking energy: -51.004 Base-Backbone interact. energy: -0.123 local terms energy: -64.931872 where: bonds (distance) C4'-P energy: -13.603 bonds (distance) P-C4' energy: -13.015 flat angles C4'-P-C4' energy: -11.320 flat angles P-C4'-P energy: -13.442 tors. eta vs tors. theta energy: -13.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -140.032757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.032757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.032757 (E_RNA) where: Base-Base interactions energy: -85.272 where: short stacking energy: -45.666 Base-Backbone interact. energy: 1.026 local terms energy: -55.786858 where: bonds (distance) C4'-P energy: -13.772 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -10.227 flat angles P-C4'-P energy: -9.654 tors. eta vs tors. theta energy: -9.281 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: 7 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -87.131342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.131342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.131342 (E_RNA) where: Base-Base interactions energy: -37.387 where: short stacking energy: -37.387 Base-Backbone interact. energy: 0.946 local terms energy: -50.690311 where: bonds (distance) C4'-P energy: -13.899 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -14.102 flat angles P-C4'-P energy: -2.612 tors. eta vs tors. theta energy: -7.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -85.179622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.179622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.179622 (E_RNA) where: Base-Base interactions energy: -31.966 where: short stacking energy: -30.910 Base-Backbone interact. energy: -0.383 local terms energy: -52.830667 where: bonds (distance) C4'-P energy: -14.128 bonds (distance) P-C4' energy: -11.021 flat angles C4'-P-C4' energy: -14.674 flat angles P-C4'-P energy: -8.650 tors. eta vs tors. theta energy: -4.358 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: 8, replica: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -88.126471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.126471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.126471 (E_RNA) where: Base-Base interactions energy: -50.252 where: short stacking energy: -36.586 Base-Backbone interact. energy: -0.353 local terms energy: -37.522038 where: bonds (distance) C4'-P energy: -12.220 bonds (distance) P-C4' energy: -5.388 flat angles C4'-P-C4' energy: -10.639 flat angles P-C4'-P energy: -8.453 tors. eta vs tors. theta energy: -0.822 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: 9, replica: 5 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -78.981372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.981372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.981372 (E_RNA) where: Base-Base interactions energy: -33.335 where: short stacking energy: -30.125 Base-Backbone interact. energy: -0.045 local terms energy: -45.601040 where: bonds (distance) C4'-P energy: -13.999 bonds (distance) P-C4' energy: -13.020 flat angles C4'-P-C4' energy: -10.096 flat angles P-C4'-P energy: 0.967 tors. eta vs tors. theta energy: -9.453 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: 27 Temperature: 1.350000 Total energy: -69.807551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.807551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.807551 (E_RNA) where: Base-Base interactions energy: -30.298 where: short stacking energy: -29.034 Base-Backbone interact. energy: -0.588 local terms energy: -38.920601 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -10.224 flat angles C4'-P-C4' energy: -9.023 flat angles P-C4'-P energy: -7.109 tors. eta vs tors. theta energy: -2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -165.786821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.786821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.786821 (E_RNA) where: Base-Base interactions energy: -96.107 where: short stacking energy: -57.489 Base-Backbone interact. energy: -0.211 local terms energy: -69.468662 where: bonds (distance) C4'-P energy: -11.502 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -13.802 flat angles P-C4'-P energy: -9.631 tors. eta vs tors. theta energy: -19.461 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: 28 Temperature: 0.950000 Total energy: -156.115896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.115896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.115896 (E_RNA) where: Base-Base interactions energy: -97.330 where: short stacking energy: -67.176 Base-Backbone interact. energy: -0.020 local terms energy: -58.765685 where: bonds (distance) C4'-P energy: -14.868 bonds (distance) P-C4' energy: -11.194 flat angles C4'-P-C4' energy: -13.448 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: -13.025 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: 4 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -144.736532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.736532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.736532 (E_RNA) where: Base-Base interactions energy: -85.551 where: short stacking energy: -55.839 Base-Backbone interact. energy: -0.029 local terms energy: -59.156478 where: bonds (distance) C4'-P energy: -13.208 bonds (distance) P-C4' energy: -12.109 flat angles C4'-P-C4' energy: -13.046 flat angles P-C4'-P energy: -8.069 tors. eta vs tors. theta energy: -12.725 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: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -104.439253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.439253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.439253 (E_RNA) where: Base-Base interactions energy: -50.276 where: short stacking energy: -49.998 Base-Backbone interact. energy: 0.078 local terms energy: -54.241201 where: bonds (distance) C4'-P energy: -10.628 bonds (distance) P-C4' energy: -13.808 flat angles C4'-P-C4' energy: -12.120 flat angles P-C4'-P energy: -9.600 tors. eta vs tors. theta energy: -8.084 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: 6 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -122.754131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.754131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.754131 (E_RNA) where: Base-Base interactions energy: -73.546 where: short stacking energy: -51.389 Base-Backbone interact. energy: -0.087 local terms energy: -49.120324 where: bonds (distance) C4'-P energy: -11.494 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -12.377 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -5.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -109.159223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.159223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.159223 (E_RNA) where: Base-Base interactions energy: -51.772 where: short stacking energy: -50.619 Base-Backbone interact. energy: -0.182 local terms energy: -57.205225 where: bonds (distance) C4'-P energy: -9.550 bonds (distance) P-C4' energy: -14.575 flat angles C4'-P-C4' energy: -14.017 flat angles P-C4'-P energy: -10.714 tors. eta vs tors. theta energy: -8.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -92.139315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.139315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.139315 (E_RNA) where: Base-Base interactions energy: -40.934 where: short stacking energy: -40.934 Base-Backbone interact. energy: -0.014 local terms energy: -51.190487 where: bonds (distance) C4'-P energy: -14.226 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -9.000 flat angles P-C4'-P energy: -8.982 tors. eta vs tors. theta energy: -6.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -97.308317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.308317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.308317 (E_RNA) where: Base-Base interactions energy: -56.005 where: short stacking energy: -33.652 Base-Backbone interact. energy: -0.209 local terms energy: -41.094311 where: bonds (distance) C4'-P energy: -7.007 bonds (distance) P-C4' energy: -10.415 flat angles C4'-P-C4' energy: -11.892 flat angles P-C4'-P energy: -5.579 tors. eta vs tors. theta energy: -6.201 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: 28 Temperature: 1.300000 Total energy: -78.113018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.113018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.113018 (E_RNA) where: Base-Base interactions energy: -37.468 where: short stacking energy: -31.096 Base-Backbone interact. energy: -0.442 local terms energy: -40.202548 where: bonds (distance) C4'-P energy: -9.678 bonds (distance) P-C4' energy: -10.042 flat angles C4'-P-C4' energy: -14.171 flat angles P-C4'-P energy: -6.806 tors. eta vs tors. theta energy: 0.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -81.439252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.439252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.439252 (E_RNA) where: Base-Base interactions energy: -39.623 where: short stacking energy: -39.623 Base-Backbone interact. energy: -0.098 local terms energy: -41.718682 where: bonds (distance) C4'-P energy: -11.805 bonds (distance) P-C4' energy: -9.855 flat angles C4'-P-C4' energy: -4.504 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: -9.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -174.208651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.208651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.208651 (E_RNA) where: Base-Base interactions energy: -102.948 where: short stacking energy: -68.700 Base-Backbone interact. energy: -0.055 local terms energy: -71.205510 where: bonds (distance) C4'-P energy: -13.141 bonds (distance) P-C4' energy: -14.949 flat angles C4'-P-C4' energy: -13.491 flat angles P-C4'-P energy: -9.565 tors. eta vs tors. theta energy: -20.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -153.729711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.729711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.729711 (E_RNA) where: Base-Base interactions energy: -90.599 where: short stacking energy: -60.384 Base-Backbone interact. energy: -0.100 local terms energy: -63.030636 where: bonds (distance) C4'-P energy: -14.112 bonds (distance) P-C4' energy: -11.156 flat angles C4'-P-C4' energy: -12.838 flat angles P-C4'-P energy: -10.087 tors. eta vs tors. theta energy: -14.837 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: 4 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -141.755449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.755449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.755449 (E_RNA) where: Base-Base interactions energy: -81.026 where: short stacking energy: -51.820 Base-Backbone interact. energy: -0.081 local terms energy: -60.647856 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -13.419 flat angles C4'-P-C4' energy: -12.047 flat angles P-C4'-P energy: -10.184 tors. eta vs tors. theta energy: -10.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -133.094946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.094946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.094946 (E_RNA) where: Base-Base interactions energy: -86.045 where: short stacking energy: -54.827 Base-Backbone interact. energy: 1.560 local terms energy: -48.610642 where: bonds (distance) C4'-P energy: -14.520 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -11.359 flat angles P-C4'-P energy: -5.892 tors. eta vs tors. theta energy: -3.764 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: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -101.786538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.786538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.786538 (E_RNA) where: Base-Base interactions energy: -47.884 where: short stacking energy: -47.884 Base-Backbone interact. energy: -0.048 local terms energy: -53.853774 where: bonds (distance) C4'-P energy: -10.014 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -9.643 flat angles P-C4'-P energy: -8.537 tors. eta vs tors. theta energy: -11.983 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: 9 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -92.258953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.258953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.258953 (E_RNA) where: Base-Base interactions energy: -42.310 where: short stacking energy: -42.310 Base-Backbone interact. energy: -0.080 local terms energy: -49.868896 where: bonds (distance) C4'-P energy: -11.203 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -9.245 flat angles P-C4'-P energy: -7.747 tors. eta vs tors. theta energy: -8.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -85.182931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.182931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.182931 (E_RNA) where: Base-Base interactions energy: -37.259 where: short stacking energy: -37.259 Base-Backbone interact. energy: -0.097 local terms energy: -47.826673 where: bonds (distance) C4'-P energy: -13.338 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -13.165 flat angles P-C4'-P energy: -4.758 tors. eta vs tors. theta energy: -2.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -74.472678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.472678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.472678 (E_RNA) where: Base-Base interactions energy: -28.280 where: short stacking energy: -24.238 Base-Backbone interact. energy: -0.100 local terms energy: -46.093407 where: bonds (distance) C4'-P energy: -11.809 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -10.833 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -3.360 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: 9, replica: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -93.552761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.552761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.552761 (E_RNA) where: Base-Base interactions energy: -48.335 where: short stacking energy: -36.063 Base-Backbone interact. energy: -0.085 local terms energy: -45.132510 where: bonds (distance) C4'-P energy: -10.986 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -6.543 tors. eta vs tors. theta energy: -5.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -77.489552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.489552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.489552 (E_RNA) where: Base-Base interactions energy: -34.617 where: short stacking energy: -34.617 Base-Backbone interact. energy: -0.101 local terms energy: -42.770837 where: bonds (distance) C4'-P energy: -11.291 bonds (distance) P-C4' energy: -13.124 flat angles C4'-P-C4' energy: -10.210 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -4.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -153.389754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.389754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.389754 (E_RNA) where: Base-Base interactions energy: -95.704 where: short stacking energy: -59.602 Base-Backbone interact. energy: -0.100 local terms energy: -57.585855 where: bonds (distance) C4'-P energy: -12.148 bonds (distance) P-C4' energy: -12.591 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -13.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -168.853293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.853293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.853293 (E_RNA) where: Base-Base interactions energy: -109.932 where: short stacking energy: -70.054 Base-Backbone interact. energy: -0.003 local terms energy: -58.919037 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -12.369 flat angles P-C4'-P energy: -9.879 tors. eta vs tors. theta energy: -16.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -149.799820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.799820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.799820 (E_RNA) where: Base-Base interactions energy: -84.094 where: short stacking energy: -56.460 Base-Backbone interact. energy: -0.006 local terms energy: -65.699667 where: bonds (distance) C4'-P energy: -12.620 bonds (distance) P-C4' energy: -13.370 flat angles C4'-P-C4' energy: -15.672 flat angles P-C4'-P energy: -9.966 tors. eta vs tors. theta energy: -14.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -131.161880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.161880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.161880 (E_RNA) where: Base-Base interactions energy: -81.907 where: short stacking energy: -48.982 Base-Backbone interact. energy: -1.152 local terms energy: -48.102555 where: bonds (distance) C4'-P energy: -13.432 bonds (distance) P-C4' energy: -12.750 flat angles C4'-P-C4' energy: -9.205 flat angles P-C4'-P energy: -9.041 tors. eta vs tors. theta energy: -3.676 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: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -107.108935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.108935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.108935 (E_RNA) where: Base-Base interactions energy: -50.375 where: short stacking energy: -50.375 Base-Backbone interact. energy: -0.057 local terms energy: -56.676926 where: bonds (distance) C4'-P energy: -11.602 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -9.446 flat angles P-C4'-P energy: -9.211 tors. eta vs tors. theta energy: -12.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -96.260433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.260433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.260433 (E_RNA) where: Base-Base interactions energy: -50.179 where: short stacking energy: -37.607 Base-Backbone interact. energy: 0.198 local terms energy: -46.278927 where: bonds (distance) C4'-P energy: -11.378 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -10.908 flat angles P-C4'-P energy: -5.088 tors. eta vs tors. theta energy: -4.615 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: 7, replica: 7 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -80.397523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.397523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.397523 (E_RNA) where: Base-Base interactions energy: -39.672 where: short stacking energy: -37.748 Base-Backbone interact. energy: 1.723 local terms energy: -42.447799 where: bonds (distance) C4'-P energy: -13.009 bonds (distance) P-C4' energy: -5.253 flat angles C4'-P-C4' energy: -13.204 flat angles P-C4'-P energy: -8.471 tors. eta vs tors. theta energy: -2.511 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: 30 Temperature: 1.250000 Total energy: -83.941261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.941261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.941261 (E_RNA) where: Base-Base interactions energy: -29.793 where: short stacking energy: -24.200 Base-Backbone interact. energy: -0.285 local terms energy: -53.863132 where: bonds (distance) C4'-P energy: -12.586 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -14.723 flat angles P-C4'-P energy: -10.952 tors. eta vs tors. theta energy: -5.415 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: 5 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -74.197907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.197907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.197907 (E_RNA) where: Base-Base interactions energy: -31.380 where: short stacking energy: -26.755 Base-Backbone interact. energy: -0.112 local terms energy: -42.706075 where: bonds (distance) C4'-P energy: -8.800 bonds (distance) P-C4' energy: -14.242 flat angles C4'-P-C4' energy: -12.385 flat angles P-C4'-P energy: -2.161 tors. eta vs tors. theta energy: -5.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -83.224600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.224600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.224600 (E_RNA) where: Base-Base interactions energy: -35.021 where: short stacking energy: -30.795 Base-Backbone interact. energy: -0.014 local terms energy: -48.189405 where: bonds (distance) C4'-P energy: -13.110 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -11.746 flat angles P-C4'-P energy: -9.236 tors. eta vs tors. theta energy: -4.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -159.611999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.611999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.611999 (E_RNA) where: Base-Base interactions energy: -93.127 where: short stacking energy: -62.864 Base-Backbone interact. energy: -0.002 local terms energy: -66.483653 where: bonds (distance) C4'-P energy: -12.446 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -11.291 flat angles P-C4'-P energy: -10.406 tors. eta vs tors. theta energy: -16.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -165.879408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.879408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.879408 (E_RNA) where: Base-Base interactions energy: -94.187 where: short stacking energy: -62.187 Base-Backbone interact. energy: -0.486 local terms energy: -71.206151 where: bonds (distance) C4'-P energy: -12.824 bonds (distance) P-C4' energy: -15.928 flat angles C4'-P-C4' energy: -14.939 flat angles P-C4'-P energy: -10.415 tors. eta vs tors. theta energy: -17.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -154.648192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.648192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.648192 (E_RNA) where: Base-Base interactions energy: -91.692 where: short stacking energy: -61.122 Base-Backbone interact. energy: -0.014 local terms energy: -62.942018 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -12.291 flat angles P-C4'-P energy: -8.126 tors. eta vs tors. theta energy: -14.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -148.304990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.304990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.304990 (E_RNA) where: Base-Base interactions energy: -88.063 where: short stacking energy: -51.297 Base-Backbone interact. energy: -0.084 local terms energy: -60.157911 where: bonds (distance) C4'-P energy: -12.480 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -12.470 flat angles P-C4'-P energy: -9.845 tors. eta vs tors. theta energy: -11.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -94.270017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.270017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.270017 (E_RNA) where: Base-Base interactions energy: -41.814 where: short stacking energy: -41.814 Base-Backbone interact. energy: -0.034 local terms energy: -52.422208 where: bonds (distance) C4'-P energy: -9.383 bonds (distance) P-C4' energy: -14.088 flat angles C4'-P-C4' energy: -11.092 flat angles P-C4'-P energy: -9.026 tors. eta vs tors. theta energy: -8.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -88.854402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.854402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.854402 (E_RNA) where: Base-Base interactions energy: -40.801 where: short stacking energy: -40.801 Base-Backbone interact. energy: -0.118 local terms energy: -47.935563 where: bonds (distance) C4'-P energy: -10.480 bonds (distance) P-C4' energy: -11.542 flat angles C4'-P-C4' energy: -11.703 flat angles P-C4'-P energy: -7.666 tors. eta vs tors. theta energy: -6.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -84.094186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.094186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.094186 (E_RNA) where: Base-Base interactions energy: -35.438 where: short stacking energy: -26.083 Base-Backbone interact. energy: -1.474 local terms energy: -47.181857 where: bonds (distance) C4'-P energy: -13.315 bonds (distance) P-C4' energy: -13.839 flat angles C4'-P-C4' energy: -12.210 flat angles P-C4'-P energy: -7.852 tors. eta vs tors. theta energy: 0.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -78.915243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.915243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.915243 (E_RNA) where: Base-Base interactions energy: -34.693 where: short stacking energy: -34.693 Base-Backbone interact. energy: -0.330 local terms energy: -43.892310 where: bonds (distance) C4'-P energy: -13.357 bonds (distance) P-C4' energy: -11.422 flat angles C4'-P-C4' energy: -9.137 flat angles P-C4'-P energy: -7.211 tors. eta vs tors. theta energy: -2.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -95.099559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.099559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.099559 (E_RNA) where: Base-Base interactions energy: -46.704 where: short stacking energy: -31.281 Base-Backbone interact. energy: -0.074 local terms energy: -48.321128 where: bonds (distance) C4'-P energy: -10.694 bonds (distance) P-C4' energy: -11.361 flat angles C4'-P-C4' energy: -11.751 flat angles P-C4'-P energy: -11.468 tors. eta vs tors. theta energy: -3.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -65.745141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.745141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.745141 (E_RNA) where: Base-Base interactions energy: -23.427 where: short stacking energy: -23.427 Base-Backbone interact. energy: -0.126 local terms energy: -42.192699 where: bonds (distance) C4'-P energy: -10.770 bonds (distance) P-C4' energy: -8.844 flat angles C4'-P-C4' energy: -12.957 flat angles P-C4'-P energy: -8.130 tors. eta vs tors. theta energy: -1.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -164.069672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.069672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.069672 (E_RNA) where: Base-Base interactions energy: -104.477 where: short stacking energy: -57.798 Base-Backbone interact. energy: 0.248 local terms energy: -59.840630 where: bonds (distance) C4'-P energy: -14.719 bonds (distance) P-C4' energy: -9.516 flat angles C4'-P-C4' energy: -10.955 flat angles P-C4'-P energy: -9.578 tors. eta vs tors. theta energy: -15.073 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: 10 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -156.553129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.553129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.553129 (E_RNA) where: Base-Base interactions energy: -94.971 where: short stacking energy: -66.230 Base-Backbone interact. energy: -0.034 local terms energy: -61.547919 where: bonds (distance) C4'-P energy: -9.744 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -14.727 flat angles P-C4'-P energy: -8.615 tors. eta vs tors. theta energy: -14.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -130.334941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.334941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.334941 (E_RNA) where: Base-Base interactions energy: -85.197 where: short stacking energy: -39.091 Base-Backbone interact. energy: -0.471 local terms energy: -44.666317 where: bonds (distance) C4'-P energy: -13.259 bonds (distance) P-C4' energy: -13.417 flat angles C4'-P-C4' energy: -8.832 flat angles P-C4'-P energy: -6.482 tors. eta vs tors. theta energy: -2.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -147.679482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.679482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.679482 (E_RNA) where: Base-Base interactions energy: -92.379 where: short stacking energy: -55.517 Base-Backbone interact. energy: -0.001 local terms energy: -55.299544 where: bonds (distance) C4'-P energy: -10.124 bonds (distance) P-C4' energy: -11.225 flat angles C4'-P-C4' energy: -11.715 flat angles P-C4'-P energy: -9.994 tors. eta vs tors. theta energy: -12.242 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: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -98.936947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.936947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.936947 (E_RNA) where: Base-Base interactions energy: -48.849 where: short stacking energy: -47.502 Base-Backbone interact. energy: 0.348 local terms energy: -50.435377 where: bonds (distance) C4'-P energy: -10.662 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -8.799 flat angles P-C4'-P energy: -9.754 tors. eta vs tors. theta energy: -7.541 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: 7 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -88.759999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.759999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.759999 (E_RNA) where: Base-Base interactions energy: -42.934 where: short stacking energy: -40.673 Base-Backbone interact. energy: -0.004 local terms energy: -45.822115 where: bonds (distance) C4'-P energy: -13.378 bonds (distance) P-C4' energy: -12.060 flat angles C4'-P-C4' energy: -13.162 flat angles P-C4'-P energy: -3.064 tors. eta vs tors. theta energy: -4.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -93.210754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.210754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.210754 (E_RNA) where: Base-Base interactions energy: -34.630 where: short stacking energy: -34.630 Base-Backbone interact. energy: -0.018 local terms energy: -58.562345 where: bonds (distance) C4'-P energy: -11.594 bonds (distance) P-C4' energy: -13.124 flat angles C4'-P-C4' energy: -14.618 flat angles P-C4'-P energy: -11.892 tors. eta vs tors. theta energy: -7.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -80.831058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.831058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.831058 (E_RNA) where: Base-Base interactions energy: -30.168 where: short stacking energy: -30.168 Base-Backbone interact. energy: 0.235 local terms energy: -50.898112 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -10.069 flat angles C4'-P-C4' energy: -9.960 flat angles P-C4'-P energy: -10.846 tors. eta vs tors. theta energy: -6.062 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: 9, replica: 3 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -84.326732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.326732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.326732 (E_RNA) where: Base-Base interactions energy: -41.219 where: short stacking energy: -30.086 Base-Backbone interact. energy: 0.715 local terms energy: -43.822306 where: bonds (distance) C4'-P energy: -9.307 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -9.880 flat angles P-C4'-P energy: -8.390 tors. eta vs tors. theta energy: -0.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -116.927353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.927353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.927353 (E_RNA) where: Base-Base interactions energy: -75.028 where: short stacking energy: -41.633 Base-Backbone interact. energy: -0.542 local terms energy: -41.357704 where: bonds (distance) C4'-P energy: -14.158 bonds (distance) P-C4' energy: -8.521 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -7.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -156.815705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.815705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.815705 (E_RNA) where: Base-Base interactions energy: -86.878 where: short stacking energy: -57.332 Base-Backbone interact. energy: -0.297 local terms energy: -69.640660 where: bonds (distance) C4'-P energy: -14.239 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -14.672 flat angles P-C4'-P energy: -9.768 tors. eta vs tors. theta energy: -15.862 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: 10 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -141.523163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.523163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.523163 (E_RNA) where: Base-Base interactions energy: -86.000 where: short stacking energy: -56.330 Base-Backbone interact. energy: -0.031 local terms energy: -55.492302 where: bonds (distance) C4'-P energy: -12.558 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -12.262 flat angles P-C4'-P energy: -7.364 tors. eta vs tors. theta energy: -8.944 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: 33 Temperature: 1.000000 Total energy: -132.086656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.086656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.086656 (E_RNA) where: Base-Base interactions energy: -77.470 where: short stacking energy: -49.320 Base-Backbone interact. energy: -0.762 local terms energy: -53.855074 where: bonds (distance) C4'-P energy: -12.443 bonds (distance) P-C4' energy: -11.237 flat angles C4'-P-C4' energy: -12.028 flat angles P-C4'-P energy: -9.003 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: 4, replica: 6 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -142.141303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.141303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.141303 (E_RNA) where: Base-Base interactions energy: -94.690 where: short stacking energy: -53.760 Base-Backbone interact. energy: -0.068 local terms energy: -47.383397 where: bonds (distance) C4'-P energy: -10.998 bonds (distance) P-C4' energy: -10.939 flat angles C4'-P-C4' energy: -9.988 flat angles P-C4'-P energy: -7.854 tors. eta vs tors. theta energy: -7.605 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: 5, replica: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -93.650865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.650865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.650865 (E_RNA) where: Base-Base interactions energy: -36.703 where: short stacking energy: -36.416 Base-Backbone interact. energy: 0.205 local terms energy: -57.153235 where: bonds (distance) C4'-P energy: -14.326 bonds (distance) P-C4' energy: -11.271 flat angles C4'-P-C4' energy: -13.812 flat angles P-C4'-P energy: -10.575 tors. eta vs tors. theta energy: -7.170 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: 9 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -98.793119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.793119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.793119 (E_RNA) where: Base-Base interactions energy: -46.065 where: short stacking energy: -46.065 Base-Backbone interact. energy: -0.137 local terms energy: -52.590895 where: bonds (distance) C4'-P energy: -7.762 bonds (distance) P-C4' energy: -13.146 flat angles C4'-P-C4' energy: -15.239 flat angles P-C4'-P energy: -5.996 tors. eta vs tors. theta energy: -10.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -103.490440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.490440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.490440 (E_RNA) where: Base-Base interactions energy: -49.993 where: short stacking energy: -37.339 Base-Backbone interact. energy: -0.186 local terms energy: -53.311910 where: bonds (distance) C4'-P energy: -12.028 bonds (distance) P-C4' energy: -10.836 flat angles C4'-P-C4' energy: -12.380 flat angles P-C4'-P energy: -9.623 tors. eta vs tors. theta energy: -8.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -84.065688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.065688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.065688 (E_RNA) where: Base-Base interactions energy: -38.071 where: short stacking energy: -38.838 Base-Backbone interact. energy: -0.266 local terms energy: -45.727859 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -10.250 flat angles C4'-P-C4' energy: -10.263 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -7.517 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: 3 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -71.934399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.934399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.934399 (E_RNA) where: Base-Base interactions energy: -30.023 where: short stacking energy: -30.023 Base-Backbone interact. energy: -0.122 local terms energy: -41.789988 where: bonds (distance) C4'-P energy: -9.843 bonds (distance) P-C4' energy: -10.371 flat angles C4'-P-C4' energy: -11.471 flat angles P-C4'-P energy: -9.058 tors. eta vs tors. theta energy: -1.047 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: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -79.916498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.916498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.916498 (E_RNA) where: Base-Base interactions energy: -32.751 where: short stacking energy: -32.751 Base-Backbone interact. energy: -0.105 local terms energy: -47.059874 where: bonds (distance) C4'-P energy: -12.851 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -8.972 flat angles P-C4'-P energy: -6.545 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -168.306145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.306145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.306145 (E_RNA) where: Base-Base interactions energy: -101.374 where: short stacking energy: -69.325 Base-Backbone interact. energy: 0.038 local terms energy: -66.969653 where: bonds (distance) C4'-P energy: -13.435 bonds (distance) P-C4' energy: -14.769 flat angles C4'-P-C4' energy: -12.678 flat angles P-C4'-P energy: -11.339 tors. eta vs tors. theta energy: -14.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -155.988344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.988344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.988344 (E_RNA) where: Base-Base interactions energy: -92.038 where: short stacking energy: -60.928 Base-Backbone interact. energy: -0.000 local terms energy: -63.949949 where: bonds (distance) C4'-P energy: -13.490 bonds (distance) P-C4' energy: -14.771 flat angles C4'-P-C4' energy: -11.422 flat angles P-C4'-P energy: -9.618 tors. eta vs tors. theta energy: -14.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -146.918271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.918271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.918271 (E_RNA) where: Base-Base interactions energy: -89.099 where: short stacking energy: -54.149 Base-Backbone interact. energy: -0.027 local terms energy: -57.791888 where: bonds (distance) C4'-P energy: -14.244 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -9.889 flat angles P-C4'-P energy: -10.243 tors. eta vs tors. theta energy: -10.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -147.779614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.779614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.779614 (E_RNA) where: Base-Base interactions energy: -87.448 where: short stacking energy: -53.618 Base-Backbone interact. energy: -0.037 local terms energy: -60.293964 where: bonds (distance) C4'-P energy: -14.690 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -13.001 flat angles P-C4'-P energy: -10.773 tors. eta vs tors. theta energy: -7.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -99.836400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.836400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.836400 (E_RNA) where: Base-Base interactions energy: -50.771 where: short stacking energy: -34.505 Base-Backbone interact. energy: -0.027 local terms energy: -49.039170 where: bonds (distance) C4'-P energy: -11.511 bonds (distance) P-C4' energy: -14.958 flat angles C4'-P-C4' energy: -13.267 flat angles P-C4'-P energy: -7.491 tors. eta vs tors. theta energy: -1.812 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: 1 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -102.869414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.869414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.869414 (E_RNA) where: Base-Base interactions energy: -45.558 where: short stacking energy: -44.907 Base-Backbone interact. energy: -0.075 local terms energy: -57.236606 where: bonds (distance) C4'-P energy: -9.138 bonds (distance) P-C4' energy: -11.563 flat angles C4'-P-C4' energy: -13.135 flat angles P-C4'-P energy: -10.568 tors. eta vs tors. theta energy: -12.832 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: 7, replica: 5 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -91.063448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.063448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.063448 (E_RNA) where: Base-Base interactions energy: -34.447 where: short stacking energy: -26.743 Base-Backbone interact. energy: -0.938 local terms energy: -55.677980 where: bonds (distance) C4'-P energy: -12.675 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -14.770 flat angles P-C4'-P energy: -7.845 tors. eta vs tors. theta energy: -4.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -83.868088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.868088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.868088 (E_RNA) where: Base-Base interactions energy: -33.723 where: short stacking energy: -28.827 Base-Backbone interact. energy: -0.057 local terms energy: -50.088536 where: bonds (distance) C4'-P energy: -11.190 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -12.462 flat angles P-C4'-P energy: -9.572 tors. eta vs tors. theta energy: -2.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -80.724407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.724407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.724407 (E_RNA) where: Base-Base interactions energy: -33.598 where: short stacking energy: -33.598 Base-Backbone interact. energy: -0.070 local terms energy: -47.056064 where: bonds (distance) C4'-P energy: -6.494 bonds (distance) P-C4' energy: -13.398 flat angles C4'-P-C4' energy: -13.742 flat angles P-C4'-P energy: -5.991 tors. eta vs tors. theta energy: -7.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -72.096503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.096503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.096503 (E_RNA) where: Base-Base interactions energy: -30.036 where: short stacking energy: -30.036 Base-Backbone interact. energy: -0.231 local terms energy: -41.829266 where: bonds (distance) C4'-P energy: -11.107 bonds (distance) P-C4' energy: -9.749 flat angles C4'-P-C4' energy: -11.419 flat angles P-C4'-P energy: -7.386 tors. eta vs tors. theta energy: -2.167 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: 2 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -171.909085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.909085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.909085 (E_RNA) where: Base-Base interactions energy: -107.896 where: short stacking energy: -69.018 Base-Backbone interact. energy: -0.000 local terms energy: -64.012550 where: bonds (distance) C4'-P energy: -15.837 bonds (distance) P-C4' energy: -11.036 flat angles C4'-P-C4' energy: -9.806 flat angles P-C4'-P energy: -9.973 tors. eta vs tors. theta energy: -17.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -166.729406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.729406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.729406 (E_RNA) where: Base-Base interactions energy: -100.508 where: short stacking energy: -68.358 Base-Backbone interact. energy: -0.016 local terms energy: -66.206139 where: bonds (distance) C4'-P energy: -13.357 bonds (distance) P-C4' energy: -11.511 flat angles C4'-P-C4' energy: -13.008 flat angles P-C4'-P energy: -10.680 tors. eta vs tors. theta energy: -17.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -144.794121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.794121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.794121 (E_RNA) where: Base-Base interactions energy: -84.873 where: short stacking energy: -58.084 Base-Backbone interact. energy: 0.095 local terms energy: -60.016752 where: bonds (distance) C4'-P energy: -11.146 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -12.372 flat angles P-C4'-P energy: -8.632 tors. eta vs tors. theta energy: -12.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -144.207567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.207567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.207567 (E_RNA) where: Base-Base interactions energy: -83.754 where: short stacking energy: -58.398 Base-Backbone interact. energy: -0.006 local terms energy: -60.447806 where: bonds (distance) C4'-P energy: -14.123 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -14.138 flat angles P-C4'-P energy: -10.107 tors. eta vs tors. theta energy: -9.643 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: 35 Temperature: 1.100000 Total energy: -109.929166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.929166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.929166 (E_RNA) where: Base-Base interactions energy: -50.367 where: short stacking energy: -49.669 Base-Backbone interact. energy: 0.527 local terms energy: -60.088730 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -12.554 flat angles C4'-P-C4' energy: -13.597 flat angles P-C4'-P energy: -9.464 tors. eta vs tors. theta energy: -10.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -96.755405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.755405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.755405 (E_RNA) where: Base-Base interactions energy: -46.961 where: short stacking energy: -41.209 Base-Backbone interact. energy: -0.191 local terms energy: -49.603393 where: bonds (distance) C4'-P energy: -10.224 bonds (distance) P-C4' energy: -11.573 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -11.771 tors. eta vs tors. theta energy: -8.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -95.426891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.426891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.426891 (E_RNA) where: Base-Base interactions energy: -47.202 where: short stacking energy: -47.202 Base-Backbone interact. energy: -0.025 local terms energy: -48.200038 where: bonds (distance) C4'-P energy: -13.668 bonds (distance) P-C4' energy: -12.639 flat angles C4'-P-C4' energy: -9.424 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -7.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -89.516684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.516684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.516684 (E_RNA) where: Base-Base interactions energy: -39.713 where: short stacking energy: -39.713 Base-Backbone interact. energy: -0.100 local terms energy: -49.703363 where: bonds (distance) C4'-P energy: -11.457 bonds (distance) P-C4' energy: -14.402 flat angles C4'-P-C4' energy: -10.690 flat angles P-C4'-P energy: -7.115 tors. eta vs tors. theta energy: -6.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -75.653383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.653383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.653383 (E_RNA) where: Base-Base interactions energy: -32.610 where: short stacking energy: -32.610 Base-Backbone interact. energy: -0.230 local terms energy: -42.813004 where: bonds (distance) C4'-P energy: -11.651 bonds (distance) P-C4' energy: -14.308 flat angles C4'-P-C4' energy: -9.008 flat angles P-C4'-P energy: -5.289 tors. eta vs tors. theta energy: -2.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -65.604878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.604878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.604878 (E_RNA) where: Base-Base interactions energy: -29.776 where: short stacking energy: -26.312 Base-Backbone interact. energy: 0.388 local terms energy: -36.216406 where: bonds (distance) C4'-P energy: -9.106 bonds (distance) P-C4' energy: -9.674 flat angles C4'-P-C4' energy: -7.555 flat angles P-C4'-P energy: -8.717 tors. eta vs tors. theta energy: -1.165 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: 6 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -161.791285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.791285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.791285 (E_RNA) where: Base-Base interactions energy: -96.009 where: short stacking energy: -61.783 Base-Backbone interact. energy: -0.018 local terms energy: -65.764759 where: bonds (distance) C4'-P energy: -12.703 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -14.259 flat angles P-C4'-P energy: -10.384 tors. eta vs tors. theta energy: -12.899 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: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -166.268179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.268179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.268179 (E_RNA) where: Base-Base interactions energy: -101.152 where: short stacking energy: -60.789 Base-Backbone interact. energy: -0.005 local terms energy: -65.111199 where: bonds (distance) C4'-P energy: -10.971 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -13.558 flat angles P-C4'-P energy: -8.078 tors. eta vs tors. theta energy: -16.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -139.476230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.476230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.476230 (E_RNA) where: Base-Base interactions energy: -80.547 where: short stacking energy: -50.960 Base-Backbone interact. energy: -0.014 local terms energy: -58.915385 where: bonds (distance) C4'-P energy: -12.458 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -14.140 flat angles P-C4'-P energy: -10.024 tors. eta vs tors. theta energy: -8.732 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: 4, replica: 10 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -135.905712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.905712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.905712 (E_RNA) where: Base-Base interactions energy: -81.770 where: short stacking energy: -49.414 Base-Backbone interact. energy: -0.186 local terms energy: -53.950317 where: bonds (distance) C4'-P energy: -13.370 bonds (distance) P-C4' energy: -15.213 flat angles C4'-P-C4' energy: -12.087 flat angles P-C4'-P energy: -3.669 tors. eta vs tors. theta energy: -9.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -111.552272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.552272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.552272 (E_RNA) where: Base-Base interactions energy: -54.007 where: short stacking energy: -54.007 Base-Backbone interact. energy: -0.034 local terms energy: -57.511647 where: bonds (distance) C4'-P energy: -9.467 bonds (distance) P-C4' energy: -12.258 flat angles C4'-P-C4' energy: -15.149 flat angles P-C4'-P energy: -6.270 tors. eta vs tors. theta energy: -14.368 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: 5 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -94.026747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.026747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.026747 (E_RNA) where: Base-Base interactions energy: -37.716 where: short stacking energy: -36.445 Base-Backbone interact. energy: 1.038 local terms energy: -57.348092 where: bonds (distance) C4'-P energy: -10.120 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -9.440 tors. eta vs tors. theta energy: -9.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -94.648014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.648014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.648014 (E_RNA) where: Base-Base interactions energy: -42.994 where: short stacking energy: -41.239 Base-Backbone interact. energy: -0.517 local terms energy: -51.137380 where: bonds (distance) C4'-P energy: -11.721 bonds (distance) P-C4' energy: -11.830 flat angles C4'-P-C4' energy: -13.244 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: -6.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -94.991300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.991300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.991300 (E_RNA) where: Base-Base interactions energy: -40.553 where: short stacking energy: -40.553 Base-Backbone interact. energy: -0.395 local terms energy: -54.043608 where: bonds (distance) C4'-P energy: -13.146 bonds (distance) P-C4' energy: -15.245 flat angles C4'-P-C4' energy: -13.861 flat angles P-C4'-P energy: -3.494 tors. eta vs tors. theta energy: -8.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -81.716781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.716781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.716781 (E_RNA) where: Base-Base interactions energy: -36.216 where: short stacking energy: -36.816 Base-Backbone interact. energy: -0.700 local terms energy: -44.801016 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -12.881 flat angles C4'-P-C4' energy: -10.700 flat angles P-C4'-P energy: -8.735 tors. eta vs tors. theta energy: -6.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -75.882482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.882482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.882482 (E_RNA) where: Base-Base interactions energy: -41.566 where: short stacking energy: -39.007 Base-Backbone interact. energy: -0.102 local terms energy: -34.214737 where: bonds (distance) C4'-P energy: -7.682 bonds (distance) P-C4' energy: -9.988 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -1.722 tors. eta vs tors. theta energy: -8.234 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: 6 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -166.480163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.480163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.480163 (E_RNA) where: Base-Base interactions energy: -99.998 where: short stacking energy: -68.543 Base-Backbone interact. energy: -0.599 local terms energy: -65.882766 where: bonds (distance) C4'-P energy: -12.480 bonds (distance) P-C4' energy: -14.672 flat angles C4'-P-C4' energy: -12.431 flat angles P-C4'-P energy: -8.128 tors. eta vs tors. theta energy: -18.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -160.178532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.178532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.178532 (E_RNA) where: Base-Base interactions energy: -98.183 where: short stacking energy: -50.045 Base-Backbone interact. energy: -0.004 local terms energy: -61.991246 where: bonds (distance) C4'-P energy: -13.771 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -11.917 flat angles P-C4'-P energy: -6.494 tors. eta vs tors. theta energy: -15.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -146.489747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.489747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.489747 (E_RNA) where: Base-Base interactions energy: -88.787 where: short stacking energy: -51.553 Base-Backbone interact. energy: -0.004 local terms energy: -57.698414 where: bonds (distance) C4'-P energy: -9.023 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -14.909 flat angles P-C4'-P energy: -10.608 tors. eta vs tors. theta energy: -9.378 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: 10 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -132.681327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.681327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.681327 (E_RNA) where: Base-Base interactions energy: -77.919 where: short stacking energy: -48.253 Base-Backbone interact. energy: -0.021 local terms energy: -54.740919 where: bonds (distance) C4'-P energy: -10.330 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -14.244 flat angles P-C4'-P energy: -5.692 tors. eta vs tors. theta energy: -10.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -94.830790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.830790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.830790 (E_RNA) where: Base-Base interactions energy: -42.479 where: short stacking energy: -37.127 Base-Backbone interact. energy: -1.461 local terms energy: -50.890940 where: bonds (distance) C4'-P energy: -13.129 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -11.255 flat angles P-C4'-P energy: -8.291 tors. eta vs tors. theta energy: -5.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -90.060747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.060747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.060747 (E_RNA) where: Base-Base interactions energy: -42.067 where: short stacking energy: -39.386 Base-Backbone interact. energy: -0.645 local terms energy: -47.348422 where: bonds (distance) C4'-P energy: -7.597 bonds (distance) P-C4' energy: -14.961 flat angles C4'-P-C4' energy: -11.397 flat angles P-C4'-P energy: -7.727 tors. eta vs tors. theta energy: -5.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -100.410088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.410088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.410088 (E_RNA) where: Base-Base interactions energy: -50.118 where: short stacking energy: -50.118 Base-Backbone interact. energy: -0.016 local terms energy: -50.275267 where: bonds (distance) C4'-P energy: -12.235 bonds (distance) P-C4' energy: -9.030 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -8.244 tors. eta vs tors. theta energy: -13.523 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: 8, replica: 3 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -83.423562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.423562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.423562 (E_RNA) where: Base-Base interactions energy: -37.627 where: short stacking energy: -37.627 Base-Backbone interact. energy: -0.008 local terms energy: -45.788858 where: bonds (distance) C4'-P energy: -12.690 bonds (distance) P-C4' energy: -11.277 flat angles C4'-P-C4' energy: -9.581 flat angles P-C4'-P energy: -7.110 tors. eta vs tors. theta energy: -5.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -75.535623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.535623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.535623 (E_RNA) where: Base-Base interactions energy: -29.596 where: short stacking energy: -19.992 Base-Backbone interact. energy: -0.271 local terms energy: -45.668929 where: bonds (distance) C4'-P energy: -12.123 bonds (distance) P-C4' energy: -12.117 flat angles C4'-P-C4' energy: -12.500 flat angles P-C4'-P energy: -8.596 tors. eta vs tors. theta energy: -0.333 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: 7 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -70.460916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.460916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.460916 (E_RNA) where: Base-Base interactions energy: -24.516 where: short stacking energy: -24.352 Base-Backbone interact. energy: -0.041 local terms energy: -45.904241 where: bonds (distance) C4'-P energy: -11.590 bonds (distance) P-C4' energy: -11.109 flat angles C4'-P-C4' energy: -10.776 flat angles P-C4'-P energy: -7.019 tors. eta vs tors. theta energy: -5.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -163.113350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.113350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.113350 (E_RNA) where: Base-Base interactions energy: -105.394 where: short stacking energy: -62.747 Base-Backbone interact. energy: -0.001 local terms energy: -57.717614 where: bonds (distance) C4'-P energy: -9.573 bonds (distance) P-C4' energy: -12.578 flat angles C4'-P-C4' energy: -10.283 flat angles P-C4'-P energy: -8.521 tors. eta vs tors. theta energy: -16.763 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: 6 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -154.944567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.944567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.944567 (E_RNA) where: Base-Base interactions energy: -93.093 where: short stacking energy: -62.019 Base-Backbone interact. energy: -0.005 local terms energy: -61.846291 where: bonds (distance) C4'-P energy: -13.176 bonds (distance) P-C4' energy: -11.175 flat angles C4'-P-C4' energy: -13.033 flat angles P-C4'-P energy: -11.209 tors. eta vs tors. theta energy: -13.253 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: 38 Temperature: 1.000000 Total energy: -141.660206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.660206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.660206 (E_RNA) where: Base-Base interactions energy: -88.950 where: short stacking energy: -57.807 Base-Backbone interact. energy: -0.046 local terms energy: -52.664462 where: bonds (distance) C4'-P energy: -11.423 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -12.212 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -8.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -145.905170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.905170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.905170 (E_RNA) where: Base-Base interactions energy: -89.181 where: short stacking energy: -54.962 Base-Backbone interact. energy: -0.080 local terms energy: -56.643976 where: bonds (distance) C4'-P energy: -12.274 bonds (distance) P-C4' energy: -8.710 flat angles C4'-P-C4' energy: -13.168 flat angles P-C4'-P energy: -10.857 tors. eta vs tors. theta energy: -11.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -106.909023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.909023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.909023 (E_RNA) where: Base-Base interactions energy: -45.974 where: short stacking energy: -44.052 Base-Backbone interact. energy: -0.022 local terms energy: -60.913032 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -11.831 flat angles C4'-P-C4' energy: -14.689 flat angles P-C4'-P energy: -10.393 tors. eta vs tors. theta energy: -9.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -105.271086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.271086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.271086 (E_RNA) where: Base-Base interactions energy: -51.277 where: short stacking energy: -52.096 Base-Backbone interact. energy: -0.512 local terms energy: -53.481889 where: bonds (distance) C4'-P energy: -6.041 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -10.953 flat angles P-C4'-P energy: -9.308 tors. eta vs tors. theta energy: -14.274 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: 3 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -101.034314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.034314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.034314 (E_RNA) where: Base-Base interactions energy: -48.241 where: short stacking energy: -49.512 Base-Backbone interact. energy: -0.091 local terms energy: -52.701773 where: bonds (distance) C4'-P energy: -9.779 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -13.687 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: -9.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -92.657570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.657570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.657570 (E_RNA) where: Base-Base interactions energy: -43.025 where: short stacking energy: -28.735 Base-Backbone interact. energy: -0.506 local terms energy: -49.127333 where: bonds (distance) C4'-P energy: -7.537 bonds (distance) P-C4' energy: -14.188 flat angles C4'-P-C4' energy: -12.915 flat angles P-C4'-P energy: -9.025 tors. eta vs tors. theta energy: -5.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -78.907714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.907714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.907714 (E_RNA) where: Base-Base interactions energy: -35.247 where: short stacking energy: -33.661 Base-Backbone interact. energy: -0.201 local terms energy: -43.459725 where: bonds (distance) C4'-P energy: -8.090 bonds (distance) P-C4' energy: -11.250 flat angles C4'-P-C4' energy: -11.499 flat angles P-C4'-P energy: -10.108 tors. eta vs tors. theta energy: -2.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -79.965186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.965186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.965186 (E_RNA) where: Base-Base interactions energy: -33.521 where: short stacking energy: -32.870 Base-Backbone interact. energy: -0.011 local terms energy: -46.433012 where: bonds (distance) C4'-P energy: -11.830 bonds (distance) P-C4' energy: -14.114 flat angles C4'-P-C4' energy: -13.155 flat angles P-C4'-P energy: -2.033 tors. eta vs tors. theta energy: -5.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -155.619408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.619408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.619408 (E_RNA) where: Base-Base interactions energy: -98.253 where: short stacking energy: -57.766 Base-Backbone interact. energy: -0.000 local terms energy: -57.365969 where: bonds (distance) C4'-P energy: -10.923 bonds (distance) P-C4' energy: -12.296 flat angles C4'-P-C4' energy: -15.736 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -13.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -142.171471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.171471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.171471 (E_RNA) where: Base-Base interactions energy: -88.619 where: short stacking energy: -54.647 Base-Backbone interact. energy: -0.068 local terms energy: -53.484627 where: bonds (distance) C4'-P energy: -13.357 bonds (distance) P-C4' energy: -12.960 flat angles C4'-P-C4' energy: -10.070 flat angles P-C4'-P energy: -5.456 tors. eta vs tors. theta energy: -11.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -143.138406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.138406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.138406 (E_RNA) where: Base-Base interactions energy: -88.286 where: short stacking energy: -55.003 Base-Backbone interact. energy: -0.480 local terms energy: -54.372769 where: bonds (distance) C4'-P energy: -9.135 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -9.696 tors. eta vs tors. theta energy: -12.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -114.498198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.498198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.498198 (E_RNA) where: Base-Base interactions energy: -60.901 where: short stacking energy: -41.377 Base-Backbone interact. energy: -0.623 local terms energy: -52.974144 where: bonds (distance) C4'-P energy: -10.540 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -12.953 flat angles P-C4'-P energy: -9.076 tors. eta vs tors. theta energy: -6.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -144.106246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.106246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.106246 (E_RNA) where: Base-Base interactions energy: -87.839 where: short stacking energy: -51.388 Base-Backbone interact. energy: -0.009 local terms energy: -56.258274 where: bonds (distance) C4'-P energy: -9.605 bonds (distance) P-C4' energy: -9.242 flat angles C4'-P-C4' energy: -14.245 flat angles P-C4'-P energy: -10.266 tors. eta vs tors. theta energy: -12.900 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: 3 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -75.458207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.458207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.458207 (E_RNA) where: Base-Base interactions energy: -29.156 where: short stacking energy: -29.156 Base-Backbone interact. energy: 0.687 local terms energy: -46.989190 where: bonds (distance) C4'-P energy: -11.416 bonds (distance) P-C4' energy: -12.800 flat angles C4'-P-C4' energy: -12.476 flat angles P-C4'-P energy: -7.452 tors. eta vs tors. theta energy: -2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -84.678238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.678238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.678238 (E_RNA) where: Base-Base interactions energy: -36.570 where: short stacking energy: -35.613 Base-Backbone interact. energy: -0.080 local terms energy: -48.027929 where: bonds (distance) C4'-P energy: -11.663 bonds (distance) P-C4' energy: -14.066 flat angles C4'-P-C4' energy: -10.824 flat angles P-C4'-P energy: -9.363 tors. eta vs tors. theta energy: -2.111 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: 5 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -78.485217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.485217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.485217 (E_RNA) where: Base-Base interactions energy: -28.056 where: short stacking energy: -24.471 Base-Backbone interact. energy: -0.195 local terms energy: -50.233506 where: bonds (distance) C4'-P energy: -12.573 bonds (distance) P-C4' energy: -14.009 flat angles C4'-P-C4' energy: -12.982 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -83.458410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.458410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.458410 (E_RNA) where: Base-Base interactions energy: -33.310 where: short stacking energy: -33.310 Base-Backbone interact. energy: 2.441 local terms energy: -52.588581 where: bonds (distance) C4'-P energy: -11.374 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -10.684 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -6.943 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: 10, replica: 7 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -76.231375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.231375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.231375 (E_RNA) where: Base-Base interactions energy: -33.537 where: short stacking energy: -30.917 Base-Backbone interact. energy: -0.113 local terms energy: -42.580698 where: bonds (distance) C4'-P energy: -12.720 bonds (distance) P-C4' energy: -13.260 flat angles C4'-P-C4' energy: -7.168 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -4.355 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: 1, replica: 4 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -157.555503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.555503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.555503 (E_RNA) where: Base-Base interactions energy: -98.423 where: short stacking energy: -60.601 Base-Backbone interact. energy: -0.025 local terms energy: -59.107502 where: bonds (distance) C4'-P energy: -14.049 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -12.866 flat angles P-C4'-P energy: -5.283 tors. eta vs tors. theta energy: -13.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -145.844903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.844903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.844903 (E_RNA) where: Base-Base interactions energy: -91.942 where: short stacking energy: -56.329 Base-Backbone interact. energy: -0.048 local terms energy: -53.854900 where: bonds (distance) C4'-P energy: -9.363 bonds (distance) P-C4' energy: -11.793 flat angles C4'-P-C4' energy: -11.726 flat angles P-C4'-P energy: -10.791 tors. eta vs tors. theta energy: -10.183 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: 40 Temperature: 1.000000 Total energy: -146.904873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.904873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.904873 (E_RNA) where: Base-Base interactions energy: -90.716 where: short stacking energy: -61.819 Base-Backbone interact. energy: -0.005 local terms energy: -56.184368 where: bonds (distance) C4'-P energy: -9.822 bonds (distance) P-C4' energy: -10.642 flat angles C4'-P-C4' energy: -10.942 flat angles P-C4'-P energy: -8.958 tors. eta vs tors. theta energy: -15.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -129.617789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.617789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.617789 (E_RNA) where: Base-Base interactions energy: -66.806 where: short stacking energy: -52.266 Base-Backbone interact. energy: -0.024 local terms energy: -62.787946 where: bonds (distance) C4'-P energy: -10.073 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -14.291 flat angles P-C4'-P energy: -10.731 tors. eta vs tors. theta energy: -14.239 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: 3 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -97.714407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.714407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.714407 (E_RNA) where: Base-Base interactions energy: -49.234 where: short stacking energy: -44.273 Base-Backbone interact. energy: -0.085 local terms energy: -48.394912 where: bonds (distance) C4'-P energy: -8.558 bonds (distance) P-C4' energy: -14.272 flat angles C4'-P-C4' energy: -14.704 flat angles P-C4'-P energy: -3.364 tors. eta vs tors. theta energy: -7.497 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: 10 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -143.850711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.850711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.850711 (E_RNA) where: Base-Base interactions energy: -90.871 where: short stacking energy: -58.727 Base-Backbone interact. energy: -0.028 local terms energy: -52.951452 where: bonds (distance) C4'-P energy: -9.514 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -10.496 flat angles P-C4'-P energy: -2.850 tors. eta vs tors. theta energy: -15.610 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: 5 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -90.404838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.404838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.404838 (E_RNA) where: Base-Base interactions energy: -39.530 where: short stacking energy: -28.362 Base-Backbone interact. energy: -0.163 local terms energy: -50.711778 where: bonds (distance) C4'-P energy: -9.574 bonds (distance) P-C4' energy: -15.252 flat angles C4'-P-C4' energy: -12.962 flat angles P-C4'-P energy: -8.859 tors. eta vs tors. theta energy: -4.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -81.374095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.374095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.374095 (E_RNA) where: Base-Base interactions energy: -36.361 where: short stacking energy: -33.885 Base-Backbone interact. energy: -0.094 local terms energy: -44.919116 where: bonds (distance) C4'-P energy: -9.648 bonds (distance) P-C4' energy: -9.149 flat angles C4'-P-C4' energy: -10.358 flat angles P-C4'-P energy: -8.767 tors. eta vs tors. theta energy: -6.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -80.208623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.208623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.208623 (E_RNA) where: Base-Base interactions energy: -28.414 where: short stacking energy: -28.255 Base-Backbone interact. energy: 0.899 local terms energy: -52.693842 where: bonds (distance) C4'-P energy: -8.728 bonds (distance) P-C4' energy: -12.060 flat angles C4'-P-C4' energy: -14.581 flat angles P-C4'-P energy: -12.634 tors. eta vs tors. theta energy: -4.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -77.356702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.356702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.356702 (E_RNA) where: Base-Base interactions energy: -32.940 where: short stacking energy: -32.175 Base-Backbone interact. energy: 1.308 local terms energy: -45.724738 where: bonds (distance) C4'-P energy: -14.023 bonds (distance) P-C4' energy: -8.476 flat angles C4'-P-C4' energy: -9.388 flat angles P-C4'-P energy: -7.677 tors. eta vs tors. theta energy: -6.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -153.671454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.671454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.671454 (E_RNA) where: Base-Base interactions energy: -94.094 where: short stacking energy: -57.342 Base-Backbone interact. energy: -0.008 local terms energy: -59.569327 where: bonds (distance) C4'-P energy: -10.293 bonds (distance) P-C4' energy: -12.879 flat angles C4'-P-C4' energy: -13.810 flat angles P-C4'-P energy: -9.164 tors. eta vs tors. theta energy: -13.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -138.427365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.427365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.427365 (E_RNA) where: Base-Base interactions energy: -76.850 where: short stacking energy: -50.981 Base-Backbone interact. energy: -0.019 local terms energy: -61.558281 where: bonds (distance) C4'-P energy: -12.133 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -14.436 flat angles P-C4'-P energy: -9.285 tors. eta vs tors. theta energy: -11.996 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: 2 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -149.093934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.093934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.093934 (E_RNA) where: Base-Base interactions energy: -88.188 where: short stacking energy: -59.920 Base-Backbone interact. energy: -0.071 local terms energy: -60.835345 where: bonds (distance) C4'-P energy: -8.476 bonds (distance) P-C4' energy: -13.748 flat angles C4'-P-C4' energy: -13.096 flat angles P-C4'-P energy: -10.774 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: 4, replica: 3 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -116.668834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.668834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.668834 (E_RNA) where: Base-Base interactions energy: -57.243 where: short stacking energy: -55.460 Base-Backbone interact. energy: 0.017 local terms energy: -59.442927 where: bonds (distance) C4'-P energy: -9.027 bonds (distance) P-C4' energy: -14.744 flat angles C4'-P-C4' energy: -11.710 flat angles P-C4'-P energy: -9.414 tors. eta vs tors. theta energy: -14.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -109.016451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.016451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.016451 (E_RNA) where: Base-Base interactions energy: -59.724 where: short stacking energy: -40.586 Base-Backbone interact. energy: -0.060 local terms energy: -49.232792 where: bonds (distance) C4'-P energy: -11.724 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -9.551 flat angles P-C4'-P energy: -6.420 tors. eta vs tors. theta energy: -8.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -129.935464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.935464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.935464 (E_RNA) where: Base-Base interactions energy: -74.703 where: short stacking energy: -42.489 Base-Backbone interact. energy: -0.030 local terms energy: -55.202163 where: bonds (distance) C4'-P energy: -11.991 bonds (distance) P-C4' energy: -12.890 flat angles C4'-P-C4' energy: -11.031 flat angles P-C4'-P energy: -7.978 tors. eta vs tors. theta energy: -11.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -98.399484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.399484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.399484 (E_RNA) where: Base-Base interactions energy: -50.821 where: short stacking energy: -39.841 Base-Backbone interact. energy: -0.065 local terms energy: -47.513605 where: bonds (distance) C4'-P energy: -11.643 bonds (distance) P-C4' energy: -10.623 flat angles C4'-P-C4' energy: -12.699 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -6.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -83.976493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.976493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.976493 (E_RNA) where: Base-Base interactions energy: -44.154 where: short stacking energy: -44.154 Base-Backbone interact. energy: -0.005 local terms energy: -39.817071 where: bonds (distance) C4'-P energy: -10.082 bonds (distance) P-C4' energy: -6.071 flat angles C4'-P-C4' energy: -10.132 flat angles P-C4'-P energy: -6.735 tors. eta vs tors. theta energy: -6.797 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: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -83.447614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.447614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.447614 (E_RNA) where: Base-Base interactions energy: -35.333 where: short stacking energy: -31.030 Base-Backbone interact. energy: -0.018 local terms energy: -48.096567 where: bonds (distance) C4'-P energy: -10.682 bonds (distance) P-C4' energy: -12.975 flat angles C4'-P-C4' energy: -13.542 flat angles P-C4'-P energy: -7.023 tors. eta vs tors. theta energy: -3.874 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: 7 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -84.744886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.744886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.744886 (E_RNA) where: Base-Base interactions energy: -43.693 where: short stacking energy: -38.913 Base-Backbone interact. energy: -0.244 local terms energy: -40.808597 where: bonds (distance) C4'-P energy: -9.299 bonds (distance) P-C4' energy: -12.175 flat angles C4'-P-C4' energy: -9.647 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -4.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -142.954178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.954178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.954178 (E_RNA) where: Base-Base interactions energy: -83.577 where: short stacking energy: -56.478 Base-Backbone interact. energy: -0.114 local terms energy: -59.263945 where: bonds (distance) C4'-P energy: -13.444 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -14.419 flat angles P-C4'-P energy: -7.404 tors. eta vs tors. theta energy: -8.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -151.804883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.804883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.804883 (E_RNA) where: Base-Base interactions energy: -86.977 where: short stacking energy: -53.901 Base-Backbone interact. energy: -0.656 local terms energy: -64.171374 where: bonds (distance) C4'-P energy: -11.516 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -11.137 flat angles P-C4'-P energy: -9.839 tors. eta vs tors. theta energy: -16.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -112.296969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.296969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.296969 (E_RNA) where: Base-Base interactions energy: -57.372 where: short stacking energy: -52.265 Base-Backbone interact. energy: -0.006 local terms energy: -54.918802 where: bonds (distance) C4'-P energy: -10.911 bonds (distance) P-C4' energy: -13.265 flat angles C4'-P-C4' energy: -11.833 flat angles P-C4'-P energy: -8.293 tors. eta vs tors. theta energy: -10.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -133.070541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.070541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.070541 (E_RNA) where: Base-Base interactions energy: -74.344 where: short stacking energy: -50.017 Base-Backbone interact. energy: -0.096 local terms energy: -58.630044 where: bonds (distance) C4'-P energy: -14.681 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -12.280 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -11.642 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: 10 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -137.523531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.523531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.523531 (E_RNA) where: Base-Base interactions energy: -78.806 where: short stacking energy: -42.836 Base-Backbone interact. energy: -0.004 local terms energy: -58.713258 where: bonds (distance) C4'-P energy: -11.532 bonds (distance) P-C4' energy: -15.115 flat angles C4'-P-C4' energy: -10.039 flat angles P-C4'-P energy: -8.934 tors. eta vs tors. theta energy: -13.094 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: 1 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -93.224827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.224827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.224827 (E_RNA) where: Base-Base interactions energy: -43.418 where: short stacking energy: -37.195 Base-Backbone interact. energy: 0.877 local terms energy: -50.683567 where: bonds (distance) C4'-P energy: -12.647 bonds (distance) P-C4' energy: -11.416 flat angles C4'-P-C4' energy: -13.420 flat angles P-C4'-P energy: -7.449 tors. eta vs tors. theta energy: -5.751 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: 42 Temperature: 1.200000 Total energy: -90.620480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.620480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.620480 (E_RNA) where: Base-Base interactions energy: -40.134 where: short stacking energy: -37.820 Base-Backbone interact. energy: -0.348 local terms energy: -50.138139 where: bonds (distance) C4'-P energy: -2.158 bonds (distance) P-C4' energy: -14.243 flat angles C4'-P-C4' energy: -13.855 flat angles P-C4'-P energy: -10.119 tors. eta vs tors. theta energy: -9.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -96.658396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.658396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.658396 (E_RNA) where: Base-Base interactions energy: -49.038 where: short stacking energy: -47.023 Base-Backbone interact. energy: -0.015 local terms energy: -47.605018 where: bonds (distance) C4'-P energy: -8.716 bonds (distance) P-C4' energy: -11.896 flat angles C4'-P-C4' energy: -12.712 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -9.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -76.733719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.733719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.733719 (E_RNA) where: Base-Base interactions energy: -38.041 where: short stacking energy: -23.228 Base-Backbone interact. energy: -0.032 local terms energy: -38.660316 where: bonds (distance) C4'-P energy: -11.838 bonds (distance) P-C4' energy: -11.756 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -4.614 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: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -76.411797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.411797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.411797 (E_RNA) where: Base-Base interactions energy: -30.006 where: short stacking energy: -28.896 Base-Backbone interact. energy: -0.126 local terms energy: -46.280012 where: bonds (distance) C4'-P energy: -13.141 bonds (distance) P-C4' energy: -10.389 flat angles C4'-P-C4' energy: -15.067 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: -2.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -155.042244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.042244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.042244 (E_RNA) where: Base-Base interactions energy: -100.513 where: short stacking energy: -56.497 Base-Backbone interact. energy: -0.138 local terms energy: -54.392119 where: bonds (distance) C4'-P energy: -9.815 bonds (distance) P-C4' energy: -12.284 flat angles C4'-P-C4' energy: -12.708 flat angles P-C4'-P energy: -8.791 tors. eta vs tors. theta energy: -10.794 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: 4 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -165.053761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.053761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.053761 (E_RNA) where: Base-Base interactions energy: -96.873 where: short stacking energy: -62.808 Base-Backbone interact. energy: -0.013 local terms energy: -68.167610 where: bonds (distance) C4'-P energy: -14.442 bonds (distance) P-C4' energy: -13.617 flat angles C4'-P-C4' energy: -13.341 flat angles P-C4'-P energy: -12.372 tors. eta vs tors. theta energy: -14.396 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: 3, replica: 3 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -108.919855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.919855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.919855 (E_RNA) where: Base-Base interactions energy: -53.962 where: short stacking energy: -53.962 Base-Backbone interact. energy: 0.392 local terms energy: -55.349189 where: bonds (distance) C4'-P energy: -10.517 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -14.395 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -10.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -142.324249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.324249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.324249 (E_RNA) where: Base-Base interactions energy: -84.031 where: short stacking energy: -47.594 Base-Backbone interact. energy: -0.006 local terms energy: -58.287339 where: bonds (distance) C4'-P energy: -13.299 bonds (distance) P-C4' energy: -13.752 flat angles C4'-P-C4' energy: -12.816 flat angles P-C4'-P energy: -8.082 tors. eta vs tors. theta energy: -10.339 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: 2 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -132.445681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.445681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.445681 (E_RNA) where: Base-Base interactions energy: -80.523 where: short stacking energy: -48.378 Base-Backbone interact. energy: -0.452 local terms energy: -51.470482 where: bonds (distance) C4'-P energy: -12.508 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -10.080 flat angles P-C4'-P energy: -8.489 tors. eta vs tors. theta energy: -6.281 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: 1 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -123.913045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.913045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.913045 (E_RNA) where: Base-Base interactions energy: -71.737 where: short stacking energy: -44.255 Base-Backbone interact. energy: -0.063 local terms energy: -52.112567 where: bonds (distance) C4'-P energy: -13.804 bonds (distance) P-C4' energy: -11.781 flat angles C4'-P-C4' energy: -11.111 flat angles P-C4'-P energy: -9.491 tors. eta vs tors. theta energy: -5.926 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: 8 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -94.508708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.508708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.508708 (E_RNA) where: Base-Base interactions energy: -44.824 where: short stacking energy: -40.744 Base-Backbone interact. energy: -0.063 local terms energy: -49.622045 where: bonds (distance) C4'-P energy: -9.202 bonds (distance) P-C4' energy: -14.075 flat angles C4'-P-C4' energy: -9.030 flat angles P-C4'-P energy: -7.532 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: 8, replica: 5 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -83.138109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.138109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.138109 (E_RNA) where: Base-Base interactions energy: -26.806 where: short stacking energy: -26.806 Base-Backbone interact. energy: 0.186 local terms energy: -56.518565 where: bonds (distance) C4'-P energy: -12.901 bonds (distance) P-C4' energy: -15.172 flat angles C4'-P-C4' energy: -13.339 flat angles P-C4'-P energy: -11.474 tors. eta vs tors. theta energy: -3.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -84.887224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.887224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.887224 (E_RNA) where: Base-Base interactions energy: -38.342 where: short stacking energy: -38.342 Base-Backbone interact. energy: -0.000 local terms energy: -46.545036 where: bonds (distance) C4'-P energy: -11.863 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -5.768 tors. eta vs tors. theta energy: -7.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -76.295700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.295700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.295700 (E_RNA) where: Base-Base interactions energy: -34.421 where: short stacking energy: -33.592 Base-Backbone interact. energy: -0.091 local terms energy: -41.783869 where: bonds (distance) C4'-P energy: -9.397 bonds (distance) P-C4' energy: -9.341 flat angles C4'-P-C4' energy: -10.465 flat angles P-C4'-P energy: -7.329 tors. eta vs tors. theta energy: -5.252 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: 4 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -165.408933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.408933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.408933 (E_RNA) where: Base-Base interactions energy: -99.237 where: short stacking energy: -63.212 Base-Backbone interact. energy: -0.003 local terms energy: -66.169260 where: bonds (distance) C4'-P energy: -11.164 bonds (distance) P-C4' energy: -15.322 flat angles C4'-P-C4' energy: -14.257 flat angles P-C4'-P energy: -10.139 tors. eta vs tors. theta energy: -15.288 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: 6 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -145.871390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.871390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.871390 (E_RNA) where: Base-Base interactions energy: -88.108 where: short stacking energy: -63.877 Base-Backbone interact. energy: -0.879 local terms energy: -56.883937 where: bonds (distance) C4'-P energy: -13.349 bonds (distance) P-C4' energy: -12.918 flat angles C4'-P-C4' energy: -12.243 flat angles P-C4'-P energy: -6.967 tors. eta vs tors. theta energy: -11.407 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: 3, replica: 10 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -137.493683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.493683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.493683 (E_RNA) where: Base-Base interactions energy: -82.056 where: short stacking energy: -51.589 Base-Backbone interact. energy: 0.258 local terms energy: -55.695546 where: bonds (distance) C4'-P energy: -12.779 bonds (distance) P-C4' energy: -11.046 flat angles C4'-P-C4' energy: -15.134 flat angles P-C4'-P energy: -8.565 tors. eta vs tors. theta energy: -8.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -112.613846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.613846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.613846 (E_RNA) where: Base-Base interactions energy: -58.486 where: short stacking energy: -58.486 Base-Backbone interact. energy: -0.113 local terms energy: -54.014873 where: bonds (distance) C4'-P energy: -8.758 bonds (distance) P-C4' energy: -13.970 flat angles C4'-P-C4' energy: -12.438 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -12.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -135.262250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.262250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.262250 (E_RNA) where: Base-Base interactions energy: -87.066 where: short stacking energy: -53.899 Base-Backbone interact. energy: -0.283 local terms energy: -47.914183 where: bonds (distance) C4'-P energy: -11.502 bonds (distance) P-C4' energy: -9.547 flat angles C4'-P-C4' energy: -8.577 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: -9.997 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: 2 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -120.428007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.428007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.428007 (E_RNA) where: Base-Base interactions energy: -68.861 where: short stacking energy: -39.557 Base-Backbone interact. energy: -0.178 local terms energy: -51.388651 where: bonds (distance) C4'-P energy: -10.712 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -13.139 flat angles P-C4'-P energy: -6.020 tors. eta vs tors. theta energy: -8.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -115.586251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.586251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.586251 (E_RNA) where: Base-Base interactions energy: -65.894 where: short stacking energy: -30.950 Base-Backbone interact. energy: 1.375 local terms energy: -51.066916 where: bonds (distance) C4'-P energy: -12.041 bonds (distance) P-C4' energy: -10.128 flat angles C4'-P-C4' energy: -11.332 flat angles P-C4'-P energy: -6.811 tors. eta vs tors. theta energy: -10.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -77.430547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.430547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.430547 (E_RNA) where: Base-Base interactions energy: -33.979 where: short stacking energy: -32.413 Base-Backbone interact. energy: -0.774 local terms energy: -42.678294 where: bonds (distance) C4'-P energy: -8.344 bonds (distance) P-C4' energy: -14.581 flat angles C4'-P-C4' energy: -8.081 flat angles P-C4'-P energy: -7.777 tors. eta vs tors. theta energy: -3.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -93.478650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.478650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.478650 (E_RNA) where: Base-Base interactions energy: -47.652 where: short stacking energy: -38.432 Base-Backbone interact. energy: -0.252 local terms energy: -45.574923 where: bonds (distance) C4'-P energy: -12.741 bonds (distance) P-C4' energy: -8.551 flat angles C4'-P-C4' energy: -9.598 flat angles P-C4'-P energy: -7.909 tors. eta vs tors. theta energy: -6.774 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: 10, replica: 7 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -74.375574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.375574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.375574 (E_RNA) where: Base-Base interactions energy: -36.273 where: short stacking energy: -32.490 Base-Backbone interact. energy: -0.346 local terms energy: -37.756166 where: bonds (distance) C4'-P energy: -6.651 bonds (distance) P-C4' energy: -12.161 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -5.446 tors. eta vs tors. theta energy: -7.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -147.358014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.358014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.358014 (E_RNA) where: Base-Base interactions energy: -89.569 where: short stacking energy: -55.204 Base-Backbone interact. energy: -0.072 local terms energy: -57.717722 where: bonds (distance) C4'-P energy: -11.180 bonds (distance) P-C4' energy: -12.101 flat angles C4'-P-C4' energy: -15.295 flat angles P-C4'-P energy: -7.254 tors. eta vs tors. theta energy: -11.889 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: 10 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -145.617763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.617763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.617763 (E_RNA) where: Base-Base interactions energy: -87.807 where: short stacking energy: -59.585 Base-Backbone interact. energy: -0.600 local terms energy: -57.210705 where: bonds (distance) C4'-P energy: -12.334 bonds (distance) P-C4' energy: -12.081 flat angles C4'-P-C4' energy: -11.533 flat angles P-C4'-P energy: -7.378 tors. eta vs tors. theta energy: -13.885 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: 6 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -142.330496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.330496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.330496 (E_RNA) where: Base-Base interactions energy: -79.660 where: short stacking energy: -47.256 Base-Backbone interact. energy: -0.430 local terms energy: -62.240407 where: bonds (distance) C4'-P energy: -13.373 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -13.511 flat angles P-C4'-P energy: -9.594 tors. eta vs tors. theta energy: -11.177 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: 1 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -127.545720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.545720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.545720 (E_RNA) where: Base-Base interactions energy: -76.825 where: short stacking energy: -43.558 Base-Backbone interact. energy: -0.908 local terms energy: -49.812443 where: bonds (distance) C4'-P energy: -7.947 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -13.849 flat angles P-C4'-P energy: -6.911 tors. eta vs tors. theta energy: -7.211 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: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -109.212956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.212956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.212956 (E_RNA) where: Base-Base interactions energy: -49.814 where: short stacking energy: -47.617 Base-Backbone interact. energy: -0.101 local terms energy: -59.298161 where: bonds (distance) C4'-P energy: -10.331 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -14.288 flat angles P-C4'-P energy: -7.887 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: 6, replica: 2 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -122.654556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.654556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.654556 (E_RNA) where: Base-Base interactions energy: -72.038 where: short stacking energy: -44.465 Base-Backbone interact. energy: -0.261 local terms energy: -50.355364 where: bonds (distance) C4'-P energy: -7.905 bonds (distance) P-C4' energy: -12.051 flat angles C4'-P-C4' energy: -14.136 flat angles P-C4'-P energy: -12.641 tors. eta vs tors. theta energy: -3.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -86.888922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.888922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.888922 (E_RNA) where: Base-Base interactions energy: -33.059 where: short stacking energy: -33.059 Base-Backbone interact. energy: -0.680 local terms energy: -53.149557 where: bonds (distance) C4'-P energy: -12.078 bonds (distance) P-C4' energy: -14.716 flat angles C4'-P-C4' energy: -12.084 flat angles P-C4'-P energy: -7.673 tors. eta vs tors. theta energy: -6.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -93.364380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.364380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.364380 (E_RNA) where: Base-Base interactions energy: -48.614 where: short stacking energy: -33.908 Base-Backbone interact. energy: 0.828 local terms energy: -45.578307 where: bonds (distance) C4'-P energy: -10.575 bonds (distance) P-C4' energy: -13.040 flat angles C4'-P-C4' energy: -10.705 flat angles P-C4'-P energy: -9.667 tors. eta vs tors. theta energy: -1.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -80.637405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.637405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.637405 (E_RNA) where: Base-Base interactions energy: -37.814 where: short stacking energy: -37.814 Base-Backbone interact. energy: 0.159 local terms energy: -42.982720 where: bonds (distance) C4'-P energy: -8.943 bonds (distance) P-C4' energy: -9.921 flat angles C4'-P-C4' energy: -7.889 flat angles P-C4'-P energy: -9.336 tors. eta vs tors. theta energy: -6.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -76.299127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.299127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.299127 (E_RNA) where: Base-Base interactions energy: -35.265 where: short stacking energy: -32.944 Base-Backbone interact. energy: -0.016 local terms energy: -41.018061 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -9.194 flat angles C4'-P-C4' energy: -12.774 flat angles P-C4'-P energy: -7.220 tors. eta vs tors. theta energy: -4.102 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: 4 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -150.328083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.328083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.328083 (E_RNA) where: Base-Base interactions energy: -88.014 where: short stacking energy: -55.659 Base-Backbone interact. energy: -0.608 local terms energy: -61.706079 where: bonds (distance) C4'-P energy: -13.631 bonds (distance) P-C4' energy: -10.008 flat angles C4'-P-C4' energy: -13.964 flat angles P-C4'-P energy: -8.551 tors. eta vs tors. theta energy: -15.553 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: 10 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -153.404625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.404625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.404625 (E_RNA) where: Base-Base interactions energy: -88.322 where: short stacking energy: -59.491 Base-Backbone interact. energy: -0.526 local terms energy: -64.556855 where: bonds (distance) C4'-P energy: -14.690 bonds (distance) P-C4' energy: -13.775 flat angles C4'-P-C4' energy: -14.293 flat angles P-C4'-P energy: -10.505 tors. eta vs tors. theta energy: -11.294 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: 6 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -140.112436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.112436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.112436 (E_RNA) where: Base-Base interactions energy: -81.613 where: short stacking energy: -52.257 Base-Backbone interact. energy: -0.002 local terms energy: -58.497781 where: bonds (distance) C4'-P energy: -14.487 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -12.146 flat angles P-C4'-P energy: -7.336 tors. eta vs tors. theta energy: -10.587 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: 1 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -158.939958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.939958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.939958 (E_RNA) where: Base-Base interactions energy: -99.437 where: short stacking energy: -59.667 Base-Backbone interact. energy: -0.249 local terms energy: -59.253886 where: bonds (distance) C4'-P energy: -12.753 bonds (distance) P-C4' energy: -14.607 flat angles C4'-P-C4' energy: -11.551 flat angles P-C4'-P energy: -8.173 tors. eta vs tors. theta energy: -12.170 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: 5, replica: 2 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -132.866716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.866716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.866716 (E_RNA) where: Base-Base interactions energy: -74.241 where: short stacking energy: -50.321 Base-Backbone interact. energy: -0.028 local terms energy: -58.597675 where: bonds (distance) C4'-P energy: -12.596 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -11.540 flat angles P-C4'-P energy: -10.764 tors. eta vs tors. theta energy: -9.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -104.321688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.321688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.321688 (E_RNA) where: Base-Base interactions energy: -51.127 where: short stacking energy: -51.127 Base-Backbone interact. energy: -0.018 local terms energy: -53.176980 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -10.178 flat angles C4'-P-C4' energy: -10.699 flat angles P-C4'-P energy: -9.320 tors. eta vs tors. theta energy: -10.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -87.830485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.830485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.830485 (E_RNA) where: Base-Base interactions energy: -39.395 where: short stacking energy: -31.096 Base-Backbone interact. energy: -0.176 local terms energy: -48.259616 where: bonds (distance) C4'-P energy: -10.516 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -14.349 flat angles P-C4'-P energy: -6.673 tors. eta vs tors. theta energy: -2.336 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: 9 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -101.386752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.386752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.386752 (E_RNA) where: Base-Base interactions energy: -64.398 where: short stacking energy: -35.185 Base-Backbone interact. energy: -0.204 local terms energy: -36.784206 where: bonds (distance) C4'-P energy: -6.909 bonds (distance) P-C4' energy: -11.054 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -2.256 tors. eta vs tors. theta energy: -3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -95.267927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.267927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.267927 (E_RNA) where: Base-Base interactions energy: -43.836 where: short stacking energy: -43.836 Base-Backbone interact. energy: -0.003 local terms energy: -51.428770 where: bonds (distance) C4'-P energy: -12.389 bonds (distance) P-C4' energy: -8.626 flat angles C4'-P-C4' energy: -9.753 flat angles P-C4'-P energy: -8.175 tors. eta vs tors. theta energy: -12.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -81.779016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.779016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.779016 (E_RNA) where: Base-Base interactions energy: -38.499 where: short stacking energy: -38.499 Base-Backbone interact. energy: -0.006 local terms energy: -43.273943 where: bonds (distance) C4'-P energy: -8.572 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -8.755 flat angles P-C4'-P energy: -7.601 tors. eta vs tors. theta energy: -4.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -152.797224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.797224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.797224 (E_RNA) where: Base-Base interactions energy: -90.450 where: short stacking energy: -62.653 Base-Backbone interact. energy: 0.199 local terms energy: -62.546472 where: bonds (distance) C4'-P energy: -13.597 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -13.185 flat angles P-C4'-P energy: -8.149 tors. eta vs tors. theta energy: -14.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -160.598464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.598464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.598464 (E_RNA) where: Base-Base interactions energy: -97.686 where: short stacking energy: -62.729 Base-Backbone interact. energy: 0.025 local terms energy: -62.937256 where: bonds (distance) C4'-P energy: -12.156 bonds (distance) P-C4' energy: -15.548 flat angles C4'-P-C4' energy: -11.063 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -17.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -142.062478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.062478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.062478 (E_RNA) where: Base-Base interactions energy: -83.180 where: short stacking energy: -55.623 Base-Backbone interact. energy: -0.876 local terms energy: -58.006297 where: bonds (distance) C4'-P energy: -9.643 bonds (distance) P-C4' energy: -13.475 flat angles C4'-P-C4' energy: -12.008 flat angles P-C4'-P energy: -7.717 tors. eta vs tors. theta energy: -15.162 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: 2 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -134.246495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.246495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.246495 (E_RNA) where: Base-Base interactions energy: -81.303 where: short stacking energy: -45.556 Base-Backbone interact. energy: -0.093 local terms energy: -52.850499 where: bonds (distance) C4'-P energy: -13.675 bonds (distance) P-C4' energy: -15.252 flat angles C4'-P-C4' energy: -11.046 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: -7.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -139.868867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.868867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.868867 (E_RNA) where: Base-Base interactions energy: -87.788 where: short stacking energy: -55.177 Base-Backbone interact. energy: -0.265 local terms energy: -51.816045 where: bonds (distance) C4'-P energy: -11.829 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -10.037 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: -14.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -94.691576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.691576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.691576 (E_RNA) where: Base-Base interactions energy: -43.263 where: short stacking energy: -24.627 Base-Backbone interact. energy: -0.129 local terms energy: -51.299579 where: bonds (distance) C4'-P energy: -11.846 bonds (distance) P-C4' energy: -14.502 flat angles C4'-P-C4' energy: -13.041 flat angles P-C4'-P energy: -7.889 tors. eta vs tors. theta energy: -4.022 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: 3 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -82.919042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.919042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.919042 (E_RNA) where: Base-Base interactions energy: -35.000 where: short stacking energy: -32.243 Base-Backbone interact. energy: -0.818 local terms energy: -47.101263 where: bonds (distance) C4'-P energy: -9.966 bonds (distance) P-C4' energy: -12.187 flat angles C4'-P-C4' energy: -10.344 flat angles P-C4'-P energy: -9.498 tors. eta vs tors. theta energy: -5.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -86.143267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.143267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.143267 (E_RNA) where: Base-Base interactions energy: -33.839 where: short stacking energy: -33.839 Base-Backbone interact. energy: -0.120 local terms energy: -52.184771 where: bonds (distance) C4'-P energy: -11.610 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -11.277 flat angles P-C4'-P energy: -9.608 tors. eta vs tors. theta energy: -6.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -76.019870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.019870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.019870 (E_RNA) where: Base-Base interactions energy: -31.280 where: short stacking energy: -30.207 Base-Backbone interact. energy: -0.258 local terms energy: -44.481763 where: bonds (distance) C4'-P energy: -12.339 bonds (distance) P-C4' energy: -11.668 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -8.901 tors. eta vs tors. theta energy: -5.864 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: 7 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -76.234476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.234476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.234476 (E_RNA) where: Base-Base interactions energy: -37.174 where: short stacking energy: -32.680 Base-Backbone interact. energy: -0.476 local terms energy: -38.585051 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -11.578 flat angles C4'-P-C4' energy: -12.704 flat angles P-C4'-P energy: -0.668 tors. eta vs tors. theta energy: -8.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -158.334859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.334859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.334859 (E_RNA) where: Base-Base interactions energy: -96.818 where: short stacking energy: -63.796 Base-Backbone interact. energy: -0.446 local terms energy: -61.070835 where: bonds (distance) C4'-P energy: -12.725 bonds (distance) P-C4' energy: -14.185 flat angles C4'-P-C4' energy: -13.203 flat angles P-C4'-P energy: -7.046 tors. eta vs tors. theta energy: -13.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -154.030799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.030799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.030799 (E_RNA) where: Base-Base interactions energy: -92.479 where: short stacking energy: -64.907 Base-Backbone interact. energy: -0.016 local terms energy: -61.536300 where: bonds (distance) C4'-P energy: -12.223 bonds (distance) P-C4' energy: -15.176 flat angles C4'-P-C4' energy: -10.327 flat angles P-C4'-P energy: -9.287 tors. eta vs tors. theta energy: -14.523 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: 3, replica: 2 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -146.163755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.163755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.163755 (E_RNA) where: Base-Base interactions energy: -85.327 where: short stacking energy: -54.427 Base-Backbone interact. energy: -0.601 local terms energy: -60.235399 where: bonds (distance) C4'-P energy: -13.805 bonds (distance) P-C4' energy: -13.345 flat angles C4'-P-C4' energy: -11.893 flat angles P-C4'-P energy: -9.487 tors. eta vs tors. theta energy: -11.705 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: 10 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -131.480929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.480929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.480929 (E_RNA) where: Base-Base interactions energy: -74.766 where: short stacking energy: -48.229 Base-Backbone interact. energy: 0.698 local terms energy: -57.412591 where: bonds (distance) C4'-P energy: -11.472 bonds (distance) P-C4' energy: -15.243 flat angles C4'-P-C4' energy: -11.233 flat angles P-C4'-P energy: -9.904 tors. eta vs tors. theta energy: -9.560 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: 48 Temperature: 1.100000 Total energy: -135.782945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.782945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.782945 (E_RNA) where: Base-Base interactions energy: -78.189 where: short stacking energy: -50.539 Base-Backbone interact. energy: -0.002 local terms energy: -57.591989 where: bonds (distance) C4'-P energy: -11.287 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -13.574 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -12.456 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: 1 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -125.444150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.444150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.444150 (E_RNA) where: Base-Base interactions energy: -75.365 where: short stacking energy: -41.965 Base-Backbone interact. energy: 0.800 local terms energy: -50.879138 where: bonds (distance) C4'-P energy: -9.354 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -15.056 flat angles P-C4'-P energy: -8.058 tors. eta vs tors. theta energy: -9.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -92.424676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.424676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.424676 (E_RNA) where: Base-Base interactions energy: -44.889 where: short stacking energy: -27.352 Base-Backbone interact. energy: -0.113 local terms energy: -47.422997 where: bonds (distance) C4'-P energy: -10.894 bonds (distance) P-C4' energy: -11.290 flat angles C4'-P-C4' energy: -11.956 flat angles P-C4'-P energy: -9.838 tors. eta vs tors. theta energy: -3.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -74.196707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.196707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.196707 (E_RNA) where: Base-Base interactions energy: -31.514 where: short stacking energy: -31.162 Base-Backbone interact. energy: -0.002 local terms energy: -42.680646 where: bonds (distance) C4'-P energy: -13.093 bonds (distance) P-C4' energy: -12.511 flat angles C4'-P-C4' energy: -11.685 flat angles P-C4'-P energy: -2.386 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -80.248530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.248530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.248530 (E_RNA) where: Base-Base interactions energy: -39.098 where: short stacking energy: -39.098 Base-Backbone interact. energy: -0.118 local terms energy: -41.032859 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -10.219 flat angles C4'-P-C4' energy: -8.501 flat angles P-C4'-P energy: -5.445 tors. eta vs tors. theta energy: -6.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -79.912548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.912548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.912548 (E_RNA) where: Base-Base interactions energy: -33.767 where: short stacking energy: -32.470 Base-Backbone interact. energy: -0.077 local terms energy: -46.067767 where: bonds (distance) C4'-P energy: -9.726 bonds (distance) P-C4' energy: -13.093 flat angles C4'-P-C4' energy: -12.152 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -6.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -158.536835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.536835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.536835 (E_RNA) where: Base-Base interactions energy: -97.468 where: short stacking energy: -56.273 Base-Backbone interact. energy: -0.020 local terms energy: -61.048537 where: bonds (distance) C4'-P energy: -11.015 bonds (distance) P-C4' energy: -14.145 flat angles C4'-P-C4' energy: -13.080 flat angles P-C4'-P energy: -9.094 tors. eta vs tors. theta energy: -13.714 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: 49 Temperature: 0.950000 Total energy: -155.112311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.112311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.112311 (E_RNA) where: Base-Base interactions energy: -91.008 where: short stacking energy: -65.475 Base-Backbone interact. energy: -0.003 local terms energy: -64.101036 where: bonds (distance) C4'-P energy: -9.507 bonds (distance) P-C4' energy: -14.032 flat angles C4'-P-C4' energy: -15.434 flat angles P-C4'-P energy: -8.440 tors. eta vs tors. theta energy: -16.688 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: 3, replica: 2 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -143.564912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.564912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.564912 (E_RNA) where: Base-Base interactions energy: -88.407 where: short stacking energy: -56.016 Base-Backbone interact. energy: 0.958 local terms energy: -56.115735 where: bonds (distance) C4'-P energy: -11.350 bonds (distance) P-C4' energy: -11.277 flat angles C4'-P-C4' energy: -11.418 flat angles P-C4'-P energy: -10.305 tors. eta vs tors. theta energy: -11.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -155.740648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.740648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.740648 (E_RNA) where: Base-Base interactions energy: -93.772 where: short stacking energy: -53.044 Base-Backbone interact. energy: 0.253 local terms energy: -62.221218 where: bonds (distance) C4'-P energy: -12.185 bonds (distance) P-C4' energy: -12.912 flat angles C4'-P-C4' energy: -12.094 flat angles P-C4'-P energy: -10.244 tors. eta vs tors. theta energy: -14.785 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: 10 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -129.016141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.016141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.016141 (E_RNA) where: Base-Base interactions energy: -76.954 where: short stacking energy: -43.438 Base-Backbone interact. energy: 0.449 local terms energy: -52.511532 where: bonds (distance) C4'-P energy: -11.962 bonds (distance) P-C4' energy: -12.017 flat angles C4'-P-C4' energy: -11.070 flat angles P-C4'-P energy: -7.942 tors. eta vs tors. theta energy: -9.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -137.738138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.738138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.738138 (E_RNA) where: Base-Base interactions energy: -77.285 where: short stacking energy: -45.091 Base-Backbone interact. energy: -0.586 local terms energy: -59.866355 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -12.280 flat angles P-C4'-P energy: -9.429 tors. eta vs tors. theta energy: -10.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -89.718999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.718999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.718999 (E_RNA) where: Base-Base interactions energy: -40.511 where: short stacking energy: -33.961 Base-Backbone interact. energy: -0.056 local terms energy: -49.151517 where: bonds (distance) C4'-P energy: -13.233 bonds (distance) P-C4' energy: -14.173 flat angles C4'-P-C4' energy: -9.479 flat angles P-C4'-P energy: -7.888 tors. eta vs tors. theta energy: -4.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -85.168938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.168938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.168938 (E_RNA) where: Base-Base interactions energy: -33.611 where: short stacking energy: -31.367 Base-Backbone interact. energy: -0.054 local terms energy: -51.503092 where: bonds (distance) C4'-P energy: -9.658 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -15.041 flat angles P-C4'-P energy: -8.614 tors. eta vs tors. theta energy: -4.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -81.142113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.142113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.142113 (E_RNA) where: Base-Base interactions energy: -39.371 where: short stacking energy: -39.371 Base-Backbone interact. energy: -0.206 local terms energy: -41.564775 where: bonds (distance) C4'-P energy: -12.152 bonds (distance) P-C4' energy: -7.196 flat angles C4'-P-C4' energy: -13.342 flat angles P-C4'-P energy: -2.305 tors. eta vs tors. theta energy: -6.570 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: 7 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -73.088961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.088961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.088961 (E_RNA) where: Base-Base interactions energy: -29.914 where: short stacking energy: -29.914 Base-Backbone interact. energy: -0.522 local terms energy: -42.653078 where: bonds (distance) C4'-P energy: -13.254 bonds (distance) P-C4' energy: -11.141 flat angles C4'-P-C4' energy: -8.736 flat angles P-C4'-P energy: -8.285 tors. eta vs tors. theta energy: -1.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -158.172835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.172835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.172835 (E_RNA) where: Base-Base interactions energy: -95.347 where: short stacking energy: -55.778 Base-Backbone interact. energy: -0.045 local terms energy: -62.781392 where: bonds (distance) C4'-P energy: -12.124 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -12.929 flat angles P-C4'-P energy: -9.064 tors. eta vs tors. theta energy: -13.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -149.095870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.095870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.095870 (E_RNA) where: Base-Base interactions energy: -82.347 where: short stacking energy: -45.788 Base-Backbone interact. energy: -0.035 local terms energy: -66.713760 where: bonds (distance) C4'-P energy: -14.360 bonds (distance) P-C4' energy: -14.942 flat angles C4'-P-C4' energy: -13.299 flat angles P-C4'-P energy: -10.537 tors. eta vs tors. theta energy: -13.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -132.126746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.126746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.126746 (E_RNA) where: Base-Base interactions energy: -77.160 where: short stacking energy: -47.030 Base-Backbone interact. energy: -0.068 local terms energy: -54.898908 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -11.233 flat angles P-C4'-P energy: -11.645 tors. eta vs tors. theta energy: -7.919 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: 2 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -134.106396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.106396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.106396 (E_RNA) where: Base-Base interactions energy: -77.343 where: short stacking energy: -49.323 Base-Backbone interact. energy: 0.152 local terms energy: -56.915520 where: bonds (distance) C4'-P energy: -12.826 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -11.801 flat angles P-C4'-P energy: -8.037 tors. eta vs tors. theta energy: -8.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -143.684039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.684039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.684039 (E_RNA) where: Base-Base interactions energy: -87.267 where: short stacking energy: -52.644 Base-Backbone interact. energy: -0.001 local terms energy: -56.416251 where: bonds (distance) C4'-P energy: -14.298 bonds (distance) P-C4' energy: -11.976 flat angles C4'-P-C4' energy: -8.384 flat angles P-C4'-P energy: -8.255 tors. eta vs tors. theta energy: -13.503 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: 10 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -122.620356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.620356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.620356 (E_RNA) where: Base-Base interactions energy: -73.190 where: short stacking energy: -35.458 Base-Backbone interact. energy: -0.029 local terms energy: -49.401608 where: bonds (distance) C4'-P energy: -12.847 bonds (distance) P-C4' energy: -13.519 flat angles C4'-P-C4' energy: -10.693 flat angles P-C4'-P energy: -6.971 tors. eta vs tors. theta energy: -5.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -72.326183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.326183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.326183 (E_RNA) where: Base-Base interactions energy: -27.829 where: short stacking energy: -27.714 Base-Backbone interact. energy: -0.081 local terms energy: -44.416630 where: bonds (distance) C4'-P energy: -10.005 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -12.527 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -3.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -79.643812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.643812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.643812 (E_RNA) where: Base-Base interactions energy: -33.348 where: short stacking energy: -33.348 Base-Backbone interact. energy: -0.024 local terms energy: -46.271227 where: bonds (distance) C4'-P energy: -10.566 bonds (distance) P-C4' energy: -12.793 flat angles C4'-P-C4' energy: -7.769 flat angles P-C4'-P energy: -11.516 tors. eta vs tors. theta energy: -3.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -82.541726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.541726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.541726 (E_RNA) where: Base-Base interactions energy: -34.242 where: short stacking energy: -34.242 Base-Backbone interact. energy: -0.098 local terms energy: -48.201748 where: bonds (distance) C4'-P energy: -12.326 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -8.593 flat angles P-C4'-P energy: -5.994 tors. eta vs tors. theta energy: -6.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -78.397325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.397325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.397325 (E_RNA) where: Base-Base interactions energy: -40.534 where: short stacking energy: -13.746 Base-Backbone interact. energy: -0.282 local terms energy: -37.581512 where: bonds (distance) C4'-P energy: -12.347 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -9.185 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -3.417 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: 4 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -156.767682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.767682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.767682 (E_RNA) where: Base-Base interactions energy: -91.582 where: short stacking energy: -55.742 Base-Backbone interact. energy: -0.011 local terms energy: -65.174693 where: bonds (distance) C4'-P energy: -14.173 bonds (distance) P-C4' energy: -12.654 flat angles C4'-P-C4' energy: -13.093 flat angles P-C4'-P energy: -12.278 tors. eta vs tors. theta energy: -12.977 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: 2, replica: 5 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -152.952693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.952693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.952693 (E_RNA) where: Base-Base interactions energy: -87.819 where: short stacking energy: -55.463 Base-Backbone interact. energy: -0.064 local terms energy: -65.069751 where: bonds (distance) C4'-P energy: -10.913 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -12.855 flat angles P-C4'-P energy: -11.725 tors. eta vs tors. theta energy: -14.012 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: 6 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -145.393000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.393000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.393000 (E_RNA) where: Base-Base interactions energy: -86.716 where: short stacking energy: -54.476 Base-Backbone interact. energy: 0.002 local terms energy: -58.678975 where: bonds (distance) C4'-P energy: -12.422 bonds (distance) P-C4' energy: -13.421 flat angles C4'-P-C4' energy: -13.282 flat angles P-C4'-P energy: -10.094 tors. eta vs tors. theta energy: -9.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -140.638092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.638092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.638092 (E_RNA) where: Base-Base interactions energy: -85.038 where: short stacking energy: -50.064 Base-Backbone interact. energy: -0.089 local terms energy: -55.511233 where: bonds (distance) C4'-P energy: -14.984 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -9.710 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -13.071 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: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -125.246490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.246490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.246490 (E_RNA) where: Base-Base interactions energy: -74.310 where: short stacking energy: -41.659 Base-Backbone interact. energy: -0.050 local terms energy: -50.886255 where: bonds (distance) C4'-P energy: -10.658 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -9.113 flat angles P-C4'-P energy: -6.572 tors. eta vs tors. theta energy: -9.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -130.717341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.717341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.717341 (E_RNA) where: Base-Base interactions energy: -77.461 where: short stacking energy: -44.891 Base-Backbone interact. energy: 0.943 local terms energy: -54.198999 where: bonds (distance) C4'-P energy: -14.422 bonds (distance) P-C4' energy: -8.242 flat angles C4'-P-C4' energy: -14.032 flat angles P-C4'-P energy: -6.168 tors. eta vs tors. theta energy: -11.335 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: 7, replica: 3 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -103.361367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.361367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.361367 (E_RNA) where: Base-Base interactions energy: -46.554 where: short stacking energy: -42.572 Base-Backbone interact. energy: -0.009 local terms energy: -56.798806 where: bonds (distance) C4'-P energy: -7.615 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -11.540 flat angles P-C4'-P energy: -11.252 tors. eta vs tors. theta energy: -10.820 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: 7 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -91.344624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.344624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.344624 (E_RNA) where: Base-Base interactions energy: -43.646 where: short stacking energy: -39.794 Base-Backbone interact. energy: -0.110 local terms energy: -47.589491 where: bonds (distance) C4'-P energy: -14.111 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -7.573 tors. eta vs tors. theta energy: -4.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -105.739091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.739091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.739091 (E_RNA) where: Base-Base interactions energy: -60.683 where: short stacking energy: -36.359 Base-Backbone interact. energy: -0.103 local terms energy: -44.952832 where: bonds (distance) C4'-P energy: -12.948 bonds (distance) P-C4' energy: -12.622 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -7.322 tors. eta vs tors. theta energy: -5.380 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: 8 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -77.023412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.023412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.023412 (E_RNA) where: Base-Base interactions energy: -38.636 where: short stacking energy: -38.636 Base-Backbone interact. energy: -0.143 local terms energy: -38.245113 where: bonds (distance) C4'-P energy: -11.911 bonds (distance) P-C4' energy: -12.860 flat angles C4'-P-C4' energy: -9.254 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -0.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -153.511172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.511172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.511172 (E_RNA) where: Base-Base interactions energy: -88.220 where: short stacking energy: -55.625 Base-Backbone interact. energy: -0.066 local terms energy: -65.224387 where: bonds (distance) C4'-P energy: -12.309 bonds (distance) P-C4' energy: -15.243 flat angles C4'-P-C4' energy: -15.636 flat angles P-C4'-P energy: -11.662 tors. eta vs tors. theta energy: -10.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -142.508737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.508737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.508737 (E_RNA) where: Base-Base interactions energy: -87.753 where: short stacking energy: -53.344 Base-Backbone interact. energy: -0.002 local terms energy: -54.754000 where: bonds (distance) C4'-P energy: -10.003 bonds (distance) P-C4' energy: -13.116 flat angles C4'-P-C4' energy: -14.299 flat angles P-C4'-P energy: -5.190 tors. eta vs tors. theta energy: -12.147 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: 6 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -146.303685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.303685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.303685 (E_RNA) where: Base-Base interactions energy: -91.959 where: short stacking energy: -56.426 Base-Backbone interact. energy: -0.005 local terms energy: -54.338855 where: bonds (distance) C4'-P energy: -12.566 bonds (distance) P-C4' energy: -12.767 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -7.873 tors. eta vs tors. theta energy: -7.941 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: 1 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -138.774892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.774892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.774892 (E_RNA) where: Base-Base interactions energy: -77.418 where: short stacking energy: -47.482 Base-Backbone interact. energy: -0.061 local terms energy: -61.296254 where: bonds (distance) C4'-P energy: -13.431 bonds (distance) P-C4' energy: -13.001 flat angles C4'-P-C4' energy: -11.859 flat angles P-C4'-P energy: -11.857 tors. eta vs tors. theta energy: -11.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -134.039784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.039784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.039784 (E_RNA) where: Base-Base interactions energy: -80.661 where: short stacking energy: -41.712 Base-Backbone interact. energy: -0.509 local terms energy: -52.869081 where: bonds (distance) C4'-P energy: -10.061 bonds (distance) P-C4' energy: -14.469 flat angles C4'-P-C4' energy: -10.164 flat angles P-C4'-P energy: -7.694 tors. eta vs tors. theta energy: -10.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -129.688377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.688377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.688377 (E_RNA) where: Base-Base interactions energy: -71.458 where: short stacking energy: -42.169 Base-Backbone interact. energy: -0.021 local terms energy: -58.208547 where: bonds (distance) C4'-P energy: -8.712 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -11.107 flat angles P-C4'-P energy: -11.745 tors. eta vs tors. theta energy: -13.024 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: 52 Temperature: 1.200000 Total energy: -105.800857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.800857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.800857 (E_RNA) where: Base-Base interactions energy: -49.024 where: short stacking energy: -49.024 Base-Backbone interact. energy: -0.043 local terms energy: -56.733657 where: bonds (distance) C4'-P energy: -11.369 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -12.554 flat angles P-C4'-P energy: -8.635 tors. eta vs tors. theta energy: -9.887 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: 8, replica: 3 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -84.089514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.089514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.089514 (E_RNA) where: Base-Base interactions energy: -43.801 where: short stacking energy: -43.801 Base-Backbone interact. energy: -0.086 local terms energy: -40.202981 where: bonds (distance) C4'-P energy: -8.378 bonds (distance) P-C4' energy: -10.161 flat angles C4'-P-C4' energy: -8.993 flat angles P-C4'-P energy: -5.443 tors. eta vs tors. theta energy: -7.229 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: 8 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -83.367357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.367357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.367357 (E_RNA) where: Base-Base interactions energy: -43.495 where: short stacking energy: -41.469 Base-Backbone interact. energy: -0.587 local terms energy: -39.285482 where: bonds (distance) C4'-P energy: -9.722 bonds (distance) P-C4' energy: -8.928 flat angles C4'-P-C4' energy: -11.286 flat angles P-C4'-P energy: -6.009 tors. eta vs tors. theta energy: -3.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -77.357063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.357063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.357063 (E_RNA) where: Base-Base interactions energy: -35.359 where: short stacking energy: -28.066 Base-Backbone interact. energy: -1.116 local terms energy: -40.882945 where: bonds (distance) C4'-P energy: -11.511 bonds (distance) P-C4' energy: -12.696 flat angles C4'-P-C4' energy: -13.203 flat angles P-C4'-P energy: -0.202 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -158.072573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.072573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.072573 (E_RNA) where: Base-Base interactions energy: -98.981 where: short stacking energy: -68.899 Base-Backbone interact. energy: -0.081 local terms energy: -59.010794 where: bonds (distance) C4'-P energy: -13.535 bonds (distance) P-C4' energy: -11.876 flat angles C4'-P-C4' energy: -13.401 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -13.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -153.831026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.831026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.831026 (E_RNA) where: Base-Base interactions energy: -90.827 where: short stacking energy: -60.620 Base-Backbone interact. energy: -0.000 local terms energy: -63.003959 where: bonds (distance) C4'-P energy: -13.224 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -9.505 flat angles P-C4'-P energy: -8.433 tors. eta vs tors. theta energy: -15.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -145.586037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.586037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.586037 (E_RNA) where: Base-Base interactions energy: -89.476 where: short stacking energy: -52.450 Base-Backbone interact. energy: -0.130 local terms energy: -55.979972 where: bonds (distance) C4'-P energy: -11.917 bonds (distance) P-C4' energy: -13.732 flat angles C4'-P-C4' energy: -10.411 flat angles P-C4'-P energy: -6.933 tors. eta vs tors. theta energy: -12.987 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: 10 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -144.728517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.728517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.728517 (E_RNA) where: Base-Base interactions energy: -85.102 where: short stacking energy: -48.886 Base-Backbone interact. energy: -0.005 local terms energy: -59.621777 where: bonds (distance) C4'-P energy: -8.011 bonds (distance) P-C4' energy: -13.406 flat angles C4'-P-C4' energy: -13.720 flat angles P-C4'-P energy: -8.546 tors. eta vs tors. theta energy: -15.939 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: 53 Temperature: 1.100000 Total energy: -137.361880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.361880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.361880 (E_RNA) where: Base-Base interactions energy: -86.020 where: short stacking energy: -51.280 Base-Backbone interact. energy: -0.008 local terms energy: -51.333844 where: bonds (distance) C4'-P energy: -12.128 bonds (distance) P-C4' energy: -8.871 flat angles C4'-P-C4' energy: -11.352 flat angles P-C4'-P energy: -5.823 tors. eta vs tors. theta energy: -13.159 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: 53 Temperature: 1.150000 Total energy: -102.988272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.988272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.988272 (E_RNA) where: Base-Base interactions energy: -47.745 where: short stacking energy: -45.992 Base-Backbone interact. energy: 0.546 local terms energy: -55.789192 where: bonds (distance) C4'-P energy: -10.852 bonds (distance) P-C4' energy: -11.623 flat angles C4'-P-C4' energy: -14.886 flat angles P-C4'-P energy: -9.310 tors. eta vs tors. theta energy: -9.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -115.867628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.867628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.867628 (E_RNA) where: Base-Base interactions energy: -73.320 where: short stacking energy: -32.504 Base-Backbone interact. energy: -0.582 local terms energy: -41.965049 where: bonds (distance) C4'-P energy: -8.058 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -7.331 tors. eta vs tors. theta energy: -4.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -84.864918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.864918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.864918 (E_RNA) where: Base-Base interactions energy: -38.573 where: short stacking energy: -38.573 Base-Backbone interact. energy: 0.100 local terms energy: -46.392006 where: bonds (distance) C4'-P energy: -10.169 bonds (distance) P-C4' energy: -13.341 flat angles C4'-P-C4' energy: -13.378 flat angles P-C4'-P energy: -6.165 tors. eta vs tors. theta energy: -3.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -79.903671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.903671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.903671 (E_RNA) where: Base-Base interactions energy: -36.840 where: short stacking energy: -30.389 Base-Backbone interact. energy: -0.424 local terms energy: -42.639684 where: bonds (distance) C4'-P energy: -13.944 bonds (distance) P-C4' energy: -11.580 flat angles C4'-P-C4' energy: -11.911 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -0.134 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: 10, replica: 9 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -73.923580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.923580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.923580 (E_RNA) where: Base-Base interactions energy: -32.639 where: short stacking energy: -32.608 Base-Backbone interact. energy: 0.182 local terms energy: -41.467245 where: bonds (distance) C4'-P energy: -9.193 bonds (distance) P-C4' energy: -15.160 flat angles C4'-P-C4' energy: -10.776 flat angles P-C4'-P energy: -6.491 tors. eta vs tors. theta energy: 0.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -155.010022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.010022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.010022 (E_RNA) where: Base-Base interactions energy: -94.479 where: short stacking energy: -60.152 Base-Backbone interact. energy: -0.178 local terms energy: -60.353201 where: bonds (distance) C4'-P energy: -14.115 bonds (distance) P-C4' energy: -10.550 flat angles C4'-P-C4' energy: -9.940 flat angles P-C4'-P energy: -7.942 tors. eta vs tors. theta energy: -17.807 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: 2, replica: 4 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -158.725754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.725754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.725754 (E_RNA) where: Base-Base interactions energy: -95.756 where: short stacking energy: -54.408 Base-Backbone interact. energy: -0.132 local terms energy: -62.837644 where: bonds (distance) C4'-P energy: -12.392 bonds (distance) P-C4' energy: -14.522 flat angles C4'-P-C4' energy: -14.046 flat angles P-C4'-P energy: -10.013 tors. eta vs tors. theta energy: -11.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -162.240758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.240758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.240758 (E_RNA) where: Base-Base interactions energy: -101.904 where: short stacking energy: -65.352 Base-Backbone interact. energy: -0.004 local terms energy: -60.333048 where: bonds (distance) C4'-P energy: -15.435 bonds (distance) P-C4' energy: -12.607 flat angles C4'-P-C4' energy: -8.833 flat angles P-C4'-P energy: -7.688 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: 4, replica: 5 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -141.133632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.133632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.133632 (E_RNA) where: Base-Base interactions energy: -84.095 where: short stacking energy: -50.308 Base-Backbone interact. energy: -0.060 local terms energy: -56.978517 where: bonds (distance) C4'-P energy: -10.000 bonds (distance) P-C4' energy: -13.249 flat angles C4'-P-C4' energy: -12.906 flat angles P-C4'-P energy: -8.068 tors. eta vs tors. theta energy: -12.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -131.344067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.344067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.344067 (E_RNA) where: Base-Base interactions energy: -74.406 where: short stacking energy: -42.973 Base-Backbone interact. energy: -0.097 local terms energy: -56.841112 where: bonds (distance) C4'-P energy: -10.907 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -14.601 flat angles P-C4'-P energy: -9.523 tors. eta vs tors. theta energy: -6.999 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: 7 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -77.929707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.929707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.929707 (E_RNA) where: Base-Base interactions energy: -27.724 where: short stacking energy: -23.361 Base-Backbone interact. energy: 0.201 local terms energy: -50.406179 where: bonds (distance) C4'-P energy: -14.306 bonds (distance) P-C4' energy: -13.866 flat angles C4'-P-C4' energy: -12.849 flat angles P-C4'-P energy: -8.213 tors. eta vs tors. theta energy: -1.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -122.681799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.681799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.681799 (E_RNA) where: Base-Base interactions energy: -75.111 where: short stacking energy: -45.887 Base-Backbone interact. energy: -0.027 local terms energy: -47.544202 where: bonds (distance) C4'-P energy: -8.302 bonds (distance) P-C4' energy: -10.982 flat angles C4'-P-C4' energy: -11.578 flat angles P-C4'-P energy: -11.718 tors. eta vs tors. theta energy: -4.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -83.229956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.229956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.229956 (E_RNA) where: Base-Base interactions energy: -38.505 where: short stacking energy: -38.505 Base-Backbone interact. energy: -0.100 local terms energy: -44.624882 where: bonds (distance) C4'-P energy: -7.966 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -11.606 flat angles P-C4'-P energy: -9.843 tors. eta vs tors. theta energy: -1.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -84.862237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.862237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.862237 (E_RNA) where: Base-Base interactions energy: -44.201 where: short stacking energy: -29.447 Base-Backbone interact. energy: -0.015 local terms energy: -40.646522 where: bonds (distance) C4'-P energy: -9.408 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -4.314 tors. eta vs tors. theta energy: -6.192 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: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -71.119191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.119191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.119191 (E_RNA) where: Base-Base interactions energy: -27.596 where: short stacking energy: -27.596 Base-Backbone interact. energy: 1.578 local terms energy: -45.101711 where: bonds (distance) C4'-P energy: -10.029 bonds (distance) P-C4' energy: -12.455 flat angles C4'-P-C4' energy: -10.799 flat angles P-C4'-P energy: -7.702 tors. eta vs tors. theta energy: -4.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -154.210051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.210051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.210051 (E_RNA) where: Base-Base interactions energy: -95.507 where: short stacking energy: -60.562 Base-Backbone interact. energy: 0.044 local terms energy: -58.747695 where: bonds (distance) C4'-P energy: -10.674 bonds (distance) P-C4' energy: -13.769 flat angles C4'-P-C4' energy: -8.439 flat angles P-C4'-P energy: -10.529 tors. eta vs tors. theta energy: -15.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -162.438478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.438478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.438478 (E_RNA) where: Base-Base interactions energy: -96.613 where: short stacking energy: -63.224 Base-Backbone interact. energy: 0.424 local terms energy: -66.249433 where: bonds (distance) C4'-P energy: -14.466 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -12.417 flat angles P-C4'-P energy: -9.354 tors. eta vs tors. theta energy: -15.983 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: 4 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -152.635529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.635529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.635529 (E_RNA) where: Base-Base interactions energy: -96.638 where: short stacking energy: -66.856 Base-Backbone interact. energy: -0.065 local terms energy: -55.932667 where: bonds (distance) C4'-P energy: -9.896 bonds (distance) P-C4' energy: -14.498 flat angles C4'-P-C4' energy: -12.236 flat angles P-C4'-P energy: -5.091 tors. eta vs tors. theta energy: -14.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -145.182213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.182213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.182213 (E_RNA) where: Base-Base interactions energy: -86.426 where: short stacking energy: -53.488 Base-Backbone interact. energy: -0.070 local terms energy: -58.685999 where: bonds (distance) C4'-P energy: -11.838 bonds (distance) P-C4' energy: -11.742 flat angles C4'-P-C4' energy: -14.536 flat angles P-C4'-P energy: -8.918 tors. eta vs tors. theta energy: -11.653 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: 5 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -146.676426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.676426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.676426 (E_RNA) where: Base-Base interactions energy: -86.232 where: short stacking energy: -46.284 Base-Backbone interact. energy: -0.032 local terms energy: -60.411922 where: bonds (distance) C4'-P energy: -13.172 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -12.249 flat angles P-C4'-P energy: -9.716 tors. eta vs tors. theta energy: -10.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -135.101491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.101491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.101491 (E_RNA) where: Base-Base interactions energy: -78.198 where: short stacking energy: -52.647 Base-Backbone interact. energy: -0.247 local terms energy: -56.657032 where: bonds (distance) C4'-P energy: -14.628 bonds (distance) P-C4' energy: -9.009 flat angles C4'-P-C4' energy: -12.508 flat angles P-C4'-P energy: -10.541 tors. eta vs tors. theta energy: -9.971 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: 7 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -90.783706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.783706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.783706 (E_RNA) where: Base-Base interactions energy: -40.044 where: short stacking energy: -38.903 Base-Backbone interact. energy: -0.015 local terms energy: -50.724809 where: bonds (distance) C4'-P energy: -9.857 bonds (distance) P-C4' energy: -11.713 flat angles C4'-P-C4' energy: -10.875 flat angles P-C4'-P energy: -9.305 tors. eta vs tors. theta energy: -8.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -82.814566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.814566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.814566 (E_RNA) where: Base-Base interactions energy: -34.525 where: short stacking energy: -33.736 Base-Backbone interact. energy: 0.634 local terms energy: -48.923517 where: bonds (distance) C4'-P energy: -8.518 bonds (distance) P-C4' energy: -12.183 flat angles C4'-P-C4' energy: -12.650 flat angles P-C4'-P energy: -7.965 tors. eta vs tors. theta energy: -7.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -78.216701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.216701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.216701 (E_RNA) where: Base-Base interactions energy: -41.836 where: short stacking energy: -37.022 Base-Backbone interact. energy: -0.130 local terms energy: -36.250102 where: bonds (distance) C4'-P energy: -9.734 bonds (distance) P-C4' energy: -10.569 flat angles C4'-P-C4' energy: -8.625 flat angles P-C4'-P energy: -0.859 tors. eta vs tors. theta energy: -6.463 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: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -76.647933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.647933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.647933 (E_RNA) where: Base-Base interactions energy: -26.446 where: short stacking energy: -22.792 Base-Backbone interact. energy: 1.489 local terms energy: -51.691055 where: bonds (distance) C4'-P energy: -15.920 bonds (distance) P-C4' energy: -10.837 flat angles C4'-P-C4' energy: -10.471 flat angles P-C4'-P energy: -6.041 tors. eta vs tors. theta energy: -8.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -159.343218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.343218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.343218 (E_RNA) where: Base-Base interactions energy: -93.034 where: short stacking energy: -60.241 Base-Backbone interact. energy: -0.003 local terms energy: -66.306706 where: bonds (distance) C4'-P energy: -13.084 bonds (distance) P-C4' energy: -13.648 flat angles C4'-P-C4' energy: -11.923 flat angles P-C4'-P energy: -10.829 tors. eta vs tors. theta energy: -16.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -144.195663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.195663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.195663 (E_RNA) where: Base-Base interactions energy: -83.323 where: short stacking energy: -47.621 Base-Backbone interact. energy: -0.002 local terms energy: -60.870689 where: bonds (distance) C4'-P energy: -14.913 bonds (distance) P-C4' energy: -13.881 flat angles C4'-P-C4' energy: -14.885 flat angles P-C4'-P energy: -7.323 tors. eta vs tors. theta energy: -9.869 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: 1 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -159.862496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.862496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.862496 (E_RNA) where: Base-Base interactions energy: -96.631 where: short stacking energy: -62.155 Base-Backbone interact. energy: -0.079 local terms energy: -63.152854 where: bonds (distance) C4'-P energy: -13.437 bonds (distance) P-C4' energy: -11.651 flat angles C4'-P-C4' energy: -14.012 flat angles P-C4'-P energy: -8.202 tors. eta vs tors. theta energy: -15.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -144.230109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.230109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.230109 (E_RNA) where: Base-Base interactions energy: -91.399 where: short stacking energy: -44.736 Base-Backbone interact. energy: -0.183 local terms energy: -52.647640 where: bonds (distance) C4'-P energy: -11.776 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -12.681 flat angles P-C4'-P energy: -7.997 tors. eta vs tors. theta energy: -7.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -139.012176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.012176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.012176 (E_RNA) where: Base-Base interactions energy: -82.640 where: short stacking energy: -47.077 Base-Backbone interact. energy: -0.021 local terms energy: -56.351296 where: bonds (distance) C4'-P energy: -11.680 bonds (distance) P-C4' energy: -13.359 flat angles C4'-P-C4' energy: -11.586 flat angles P-C4'-P energy: -6.387 tors. eta vs tors. theta energy: -13.339 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: 6, replica: 5 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -126.651434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.651434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.651434 (E_RNA) where: Base-Base interactions energy: -73.926 where: short stacking energy: -45.895 Base-Backbone interact. energy: 0.420 local terms energy: -53.144838 where: bonds (distance) C4'-P energy: -9.308 bonds (distance) P-C4' energy: -12.079 flat angles C4'-P-C4' energy: -11.388 flat angles P-C4'-P energy: -11.136 tors. eta vs tors. theta energy: -9.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -84.124189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.124189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.124189 (E_RNA) where: Base-Base interactions energy: -34.332 where: short stacking energy: -32.633 Base-Backbone interact. energy: -0.224 local terms energy: -49.567651 where: bonds (distance) C4'-P energy: -12.550 bonds (distance) P-C4' energy: -9.781 flat angles C4'-P-C4' energy: -9.104 flat angles P-C4'-P energy: -9.465 tors. eta vs tors. theta energy: -8.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -82.724502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.724502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.724502 (E_RNA) where: Base-Base interactions energy: -37.544 where: short stacking energy: -34.314 Base-Backbone interact. energy: -0.171 local terms energy: -45.010130 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -12.556 flat angles C4'-P-C4' energy: -9.153 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -5.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -84.177213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.177213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.177213 (E_RNA) where: Base-Base interactions energy: -38.987 where: short stacking energy: -30.228 Base-Backbone interact. energy: -0.780 local terms energy: -44.409327 where: bonds (distance) C4'-P energy: -8.019 bonds (distance) P-C4' energy: -14.171 flat angles C4'-P-C4' energy: -10.677 flat angles P-C4'-P energy: -8.488 tors. eta vs tors. theta energy: -3.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -82.645769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.645769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.645769 (E_RNA) where: Base-Base interactions energy: -38.033 where: short stacking energy: -26.703 Base-Backbone interact. energy: 1.152 local terms energy: -45.765457 where: bonds (distance) C4'-P energy: -9.308 bonds (distance) P-C4' energy: -11.901 flat angles C4'-P-C4' energy: -9.038 flat angles P-C4'-P energy: -8.045 tors. eta vs tors. theta energy: -7.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -156.902239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.902239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.902239 (E_RNA) where: Base-Base interactions energy: -92.995 where: short stacking energy: -61.013 Base-Backbone interact. energy: -0.003 local terms energy: -63.903469 where: bonds (distance) C4'-P energy: -11.581 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -13.861 flat angles P-C4'-P energy: -8.204 tors. eta vs tors. theta energy: -14.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -157.473598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.473598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.473598 (E_RNA) where: Base-Base interactions energy: -94.979 where: short stacking energy: -58.737 Base-Backbone interact. energy: -0.064 local terms energy: -62.430685 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -14.203 flat angles C4'-P-C4' energy: -11.877 flat angles P-C4'-P energy: -10.056 tors. eta vs tors. theta energy: -13.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -150.456081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.456081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.456081 (E_RNA) where: Base-Base interactions energy: -93.791 where: short stacking energy: -59.032 Base-Backbone interact. energy: -0.045 local terms energy: -56.619293 where: bonds (distance) C4'-P energy: -12.981 bonds (distance) P-C4' energy: -11.341 flat angles C4'-P-C4' energy: -15.484 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -12.163 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: 2 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -134.812119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.812119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.812119 (E_RNA) where: Base-Base interactions energy: -85.024 where: short stacking energy: -53.203 Base-Backbone interact. energy: -0.023 local terms energy: -49.765058 where: bonds (distance) C4'-P energy: -13.402 bonds (distance) P-C4' energy: -12.339 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -11.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -132.557252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.557252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.557252 (E_RNA) where: Base-Base interactions energy: -81.036 where: short stacking energy: -52.574 Base-Backbone interact. energy: 0.426 local terms energy: -51.947359 where: bonds (distance) C4'-P energy: -8.020 bonds (distance) P-C4' energy: -13.162 flat angles C4'-P-C4' energy: -14.492 flat angles P-C4'-P energy: -9.652 tors. eta vs tors. theta energy: -6.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -130.867535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.867535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.867535 (E_RNA) where: Base-Base interactions energy: -75.837 where: short stacking energy: -47.944 Base-Backbone interact. energy: -0.156 local terms energy: -54.874453 where: bonds (distance) C4'-P energy: -9.184 bonds (distance) P-C4' energy: -15.792 flat angles C4'-P-C4' energy: -12.199 flat angles P-C4'-P energy: -5.727 tors. eta vs tors. theta energy: -11.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -86.600930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.600930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.600930 (E_RNA) where: Base-Base interactions energy: -39.723 where: short stacking energy: -39.723 Base-Backbone interact. energy: -0.280 local terms energy: -46.597924 where: bonds (distance) C4'-P energy: -12.509 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -9.729 flat angles P-C4'-P energy: -5.469 tors. eta vs tors. theta energy: -3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -79.476146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.476146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.476146 (E_RNA) where: Base-Base interactions energy: -37.198 where: short stacking energy: -27.302 Base-Backbone interact. energy: 0.129 local terms energy: -42.407544 where: bonds (distance) C4'-P energy: -7.831 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -13.525 flat angles P-C4'-P energy: -2.680 tors. eta vs tors. theta energy: -4.941 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: 7 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -84.644906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.644906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.644906 (E_RNA) where: Base-Base interactions energy: -38.705 where: short stacking energy: -34.945 Base-Backbone interact. energy: -0.240 local terms energy: -45.700279 where: bonds (distance) C4'-P energy: -9.117 bonds (distance) P-C4' energy: -14.062 flat angles C4'-P-C4' energy: -11.122 flat angles P-C4'-P energy: -7.066 tors. eta vs tors. theta energy: -4.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -71.432600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.432600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.432600 (E_RNA) where: Base-Base interactions energy: -29.639 where: short stacking energy: -28.333 Base-Backbone interact. energy: -0.297 local terms energy: -41.496638 where: bonds (distance) C4'-P energy: -13.783 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -5.901 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -146.218910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.218910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.218910 (E_RNA) where: Base-Base interactions energy: -86.339 where: short stacking energy: -53.986 Base-Backbone interact. energy: -0.208 local terms energy: -59.671910 where: bonds (distance) C4'-P energy: -12.135 bonds (distance) P-C4' energy: -12.358 flat angles C4'-P-C4' energy: -15.505 flat angles P-C4'-P energy: -8.468 tors. eta vs tors. theta energy: -11.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -147.797373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.797373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.797373 (E_RNA) where: Base-Base interactions energy: -84.533 where: short stacking energy: -55.141 Base-Backbone interact. energy: -0.319 local terms energy: -62.945918 where: bonds (distance) C4'-P energy: -15.179 bonds (distance) P-C4' energy: -14.274 flat angles C4'-P-C4' energy: -10.570 flat angles P-C4'-P energy: -7.869 tors. eta vs tors. theta energy: -15.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -147.376335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.376335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.376335 (E_RNA) where: Base-Base interactions energy: -92.845 where: short stacking energy: -55.040 Base-Backbone interact. energy: -0.154 local terms energy: -54.377536 where: bonds (distance) C4'-P energy: -10.872 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -12.898 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: -10.024 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: 2 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -141.429635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.429635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.429635 (E_RNA) where: Base-Base interactions energy: -85.835 where: short stacking energy: -55.737 Base-Backbone interact. energy: -0.051 local terms energy: -55.543890 where: bonds (distance) C4'-P energy: -11.796 bonds (distance) P-C4' energy: -10.071 flat angles C4'-P-C4' energy: -11.786 flat angles P-C4'-P energy: -12.344 tors. eta vs tors. theta energy: -9.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -131.137870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.137870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.137870 (E_RNA) where: Base-Base interactions energy: -77.041 where: short stacking energy: -44.174 Base-Backbone interact. energy: 0.274 local terms energy: -54.371117 where: bonds (distance) C4'-P energy: -12.438 bonds (distance) P-C4' energy: -13.823 flat angles C4'-P-C4' energy: -12.019 flat angles P-C4'-P energy: -8.638 tors. eta vs tors. theta energy: -7.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -121.557126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.557126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.557126 (E_RNA) where: Base-Base interactions energy: -79.394 where: short stacking energy: -48.653 Base-Backbone interact. energy: -0.049 local terms energy: -42.113879 where: bonds (distance) C4'-P energy: -7.876 bonds (distance) P-C4' energy: -7.201 flat angles C4'-P-C4' energy: -10.777 flat angles P-C4'-P energy: -8.962 tors. eta vs tors. theta energy: -7.299 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: 58 Temperature: 1.200000 Total energy: -91.834200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.834200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.834200 (E_RNA) where: Base-Base interactions energy: -36.901 where: short stacking energy: -29.602 Base-Backbone interact. energy: -0.092 local terms energy: -54.840901 where: bonds (distance) C4'-P energy: -13.224 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -13.745 flat angles P-C4'-P energy: -7.573 tors. eta vs tors. theta energy: -5.441 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: 3 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -86.759621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.759621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.759621 (E_RNA) where: Base-Base interactions energy: -39.174 where: short stacking energy: -31.418 Base-Backbone interact. energy: 0.209 local terms energy: -47.794342 where: bonds (distance) C4'-P energy: -11.146 bonds (distance) P-C4' energy: -14.560 flat angles C4'-P-C4' energy: -10.254 flat angles P-C4'-P energy: -9.117 tors. eta vs tors. theta energy: -2.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -83.174615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.174615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.174615 (E_RNA) where: Base-Base interactions energy: -31.912 where: short stacking energy: -31.912 Base-Backbone interact. energy: -0.231 local terms energy: -51.032145 where: bonds (distance) C4'-P energy: -13.333 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -11.275 flat angles P-C4'-P energy: -6.379 tors. eta vs tors. theta energy: -4.244 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: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -77.825959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.825959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.825959 (E_RNA) where: Base-Base interactions energy: -38.476 where: short stacking energy: -38.476 Base-Backbone interact. energy: -0.022 local terms energy: -39.328018 where: bonds (distance) C4'-P energy: -12.106 bonds (distance) P-C4' energy: -5.179 flat angles C4'-P-C4' energy: -11.680 flat angles P-C4'-P energy: -1.691 tors. eta vs tors. theta energy: -8.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -157.687054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.687054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.687054 (E_RNA) where: Base-Base interactions energy: -100.284 where: short stacking energy: -53.520 Base-Backbone interact. energy: 3.414 local terms energy: -60.817271 where: bonds (distance) C4'-P energy: -14.252 bonds (distance) P-C4' energy: -12.804 flat angles C4'-P-C4' energy: -14.864 flat angles P-C4'-P energy: -7.996 tors. eta vs tors. theta energy: -10.901 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: 2, replica: 10 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -151.893208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.893208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.893208 (E_RNA) where: Base-Base interactions energy: -89.760 where: short stacking energy: -58.180 Base-Backbone interact. energy: -0.183 local terms energy: -61.950214 where: bonds (distance) C4'-P energy: -11.441 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -14.693 flat angles P-C4'-P energy: -8.223 tors. eta vs tors. theta energy: -14.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -127.390891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.390891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.390891 (E_RNA) where: Base-Base interactions energy: -70.606 where: short stacking energy: -40.624 Base-Backbone interact. energy: -0.015 local terms energy: -56.770439 where: bonds (distance) C4'-P energy: -13.526 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -10.990 flat angles P-C4'-P energy: -8.917 tors. eta vs tors. theta energy: -9.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -137.453789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.453789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.453789 (E_RNA) where: Base-Base interactions energy: -88.444 where: short stacking energy: -55.884 Base-Backbone interact. energy: -0.012 local terms energy: -48.998323 where: bonds (distance) C4'-P energy: -7.036 bonds (distance) P-C4' energy: -13.992 flat angles C4'-P-C4' energy: -13.491 flat angles P-C4'-P energy: -6.180 tors. eta vs tors. theta energy: -8.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -132.157541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.157541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.157541 (E_RNA) where: Base-Base interactions energy: -84.783 where: short stacking energy: -48.192 Base-Backbone interact. energy: -0.103 local terms energy: -47.271899 where: bonds (distance) C4'-P energy: -9.342 bonds (distance) P-C4' energy: -11.210 flat angles C4'-P-C4' energy: -9.002 flat angles P-C4'-P energy: -8.313 tors. eta vs tors. theta energy: -9.405 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: 6, replica: 4 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -132.162483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.162483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.162483 (E_RNA) where: Base-Base interactions energy: -70.903 where: short stacking energy: -43.584 Base-Backbone interact. energy: -0.019 local terms energy: -61.239646 where: bonds (distance) C4'-P energy: -13.730 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -14.049 flat angles P-C4'-P energy: -8.209 tors. eta vs tors. theta energy: -11.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -94.801046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.801046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.801046 (E_RNA) where: Base-Base interactions energy: -44.951 where: short stacking energy: -38.089 Base-Backbone interact. energy: -0.154 local terms energy: -49.696104 where: bonds (distance) C4'-P energy: -10.438 bonds (distance) P-C4' energy: -14.022 flat angles C4'-P-C4' energy: -9.223 flat angles P-C4'-P energy: -8.439 tors. eta vs tors. theta energy: -7.574 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: 59 Temperature: 1.250000 Total energy: -87.437436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.437436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.437436 (E_RNA) where: Base-Base interactions energy: -39.538 where: short stacking energy: -35.770 Base-Backbone interact. energy: -0.247 local terms energy: -47.652321 where: bonds (distance) C4'-P energy: -11.652 bonds (distance) P-C4' energy: -11.428 flat angles C4'-P-C4' energy: -11.000 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -7.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -79.515689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.515689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.515689 (E_RNA) where: Base-Base interactions energy: -35.559 where: short stacking energy: -32.190 Base-Backbone interact. energy: -0.159 local terms energy: -43.797478 where: bonds (distance) C4'-P energy: -10.278 bonds (distance) P-C4' energy: -9.928 flat angles C4'-P-C4' energy: -10.269 flat angles P-C4'-P energy: -7.633 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: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -76.050941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.050941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.050941 (E_RNA) where: Base-Base interactions energy: -32.931 where: short stacking energy: -31.417 Base-Backbone interact. energy: -0.029 local terms energy: -43.091125 where: bonds (distance) C4'-P energy: -12.986 bonds (distance) P-C4' energy: -14.324 flat angles C4'-P-C4' energy: -10.942 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: 0.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -166.940897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.940897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.940897 (E_RNA) where: Base-Base interactions energy: -98.444 where: short stacking energy: -61.734 Base-Backbone interact. energy: -0.003 local terms energy: -68.494427 where: bonds (distance) C4'-P energy: -12.364 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -15.105 flat angles P-C4'-P energy: -8.422 tors. eta vs tors. theta energy: -18.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -154.699255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.699255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.699255 (E_RNA) where: Base-Base interactions energy: -94.448 where: short stacking energy: -59.403 Base-Backbone interact. energy: -0.506 local terms energy: -59.744652 where: bonds (distance) C4'-P energy: -9.177 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -11.985 flat angles P-C4'-P energy: -10.971 tors. eta vs tors. theta energy: -13.216 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: 5 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -129.817698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.817698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.817698 (E_RNA) where: Base-Base interactions energy: -77.447 where: short stacking energy: -50.465 Base-Backbone interact. energy: -0.132 local terms energy: -52.238579 where: bonds (distance) C4'-P energy: -10.811 bonds (distance) P-C4' energy: -11.866 flat angles C4'-P-C4' energy: -13.362 flat angles P-C4'-P energy: -9.281 tors. eta vs tors. theta energy: -6.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -137.074817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.074817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.074817 (E_RNA) where: Base-Base interactions energy: -82.246 where: short stacking energy: -45.867 Base-Backbone interact. energy: -0.557 local terms energy: -54.271291 where: bonds (distance) C4'-P energy: -9.126 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -11.646 flat angles P-C4'-P energy: -5.290 tors. eta vs tors. theta energy: -13.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -144.434979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.434979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.434979 (E_RNA) where: Base-Base interactions energy: -89.820 where: short stacking energy: -57.663 Base-Backbone interact. energy: 0.117 local terms energy: -54.732122 where: bonds (distance) C4'-P energy: -10.074 bonds (distance) P-C4' energy: -10.589 flat angles C4'-P-C4' energy: -11.120 flat angles P-C4'-P energy: -10.994 tors. eta vs tors. theta energy: -11.954 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: 2 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -135.768911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.768911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.768911 (E_RNA) where: Base-Base interactions energy: -78.151 where: short stacking energy: -49.338 Base-Backbone interact. energy: -0.019 local terms energy: -57.598824 where: bonds (distance) C4'-P energy: -12.889 bonds (distance) P-C4' energy: -15.746 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -8.042 tors. eta vs tors. theta energy: -7.569 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: 7 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -80.632160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.632160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.632160 (E_RNA) where: Base-Base interactions energy: -39.331 where: short stacking energy: -38.942 Base-Backbone interact. energy: -0.010 local terms energy: -41.291162 where: bonds (distance) C4'-P energy: -12.571 bonds (distance) P-C4' energy: -10.464 flat angles C4'-P-C4' energy: -11.647 flat angles P-C4'-P energy: -1.770 tors. eta vs tors. theta energy: -4.839 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: 60 Temperature: 1.250000 Total energy: -94.667952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.667952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.667952 (E_RNA) where: Base-Base interactions energy: -53.556 where: short stacking energy: -44.815 Base-Backbone interact. energy: 1.833 local terms energy: -42.944290 where: bonds (distance) C4'-P energy: -6.056 bonds (distance) P-C4' energy: -10.381 flat angles C4'-P-C4' energy: -8.887 flat angles P-C4'-P energy: -12.195 tors. eta vs tors. theta energy: -5.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -108.005254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.005254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.005254 (E_RNA) where: Base-Base interactions energy: -69.820 where: short stacking energy: -36.525 Base-Backbone interact. energy: -0.430 local terms energy: -37.755353 where: bonds (distance) C4'-P energy: -6.021 bonds (distance) P-C4' energy: -14.508 flat angles C4'-P-C4' energy: -2.886 flat angles P-C4'-P energy: -8.854 tors. eta vs tors. theta energy: -5.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -69.424687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.424687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.424687 (E_RNA) where: Base-Base interactions energy: -29.307 where: short stacking energy: -29.307 Base-Backbone interact. energy: -0.345 local terms energy: -39.772846 where: bonds (distance) C4'-P energy: -3.343 bonds (distance) P-C4' energy: -14.311 flat angles C4'-P-C4' energy: -11.267 flat angles P-C4'-P energy: -9.136 tors. eta vs tors. theta energy: -1.717 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: 61 Temperature: 0.900000 Total energy: -166.866861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.866861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.866861 (E_RNA) where: Base-Base interactions energy: -101.337 where: short stacking energy: -63.226 Base-Backbone interact. energy: -0.001 local terms energy: -65.528568 where: bonds (distance) C4'-P energy: -11.324 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -14.049 flat angles P-C4'-P energy: -9.535 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: 2, replica: 1 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -153.461790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.461790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.461790 (E_RNA) where: Base-Base interactions energy: -94.822 where: short stacking energy: -51.463 Base-Backbone interact. energy: -0.314 local terms energy: -58.325675 where: bonds (distance) C4'-P energy: -11.237 bonds (distance) P-C4' energy: -13.856 flat angles C4'-P-C4' energy: -13.416 flat angles P-C4'-P energy: -7.795 tors. eta vs tors. theta energy: -12.022 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: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -126.705019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.705019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.705019 (E_RNA) where: Base-Base interactions energy: -77.956 where: short stacking energy: -48.393 Base-Backbone interact. energy: -0.455 local terms energy: -48.294232 where: bonds (distance) C4'-P energy: -12.342 bonds (distance) P-C4' energy: -10.394 flat angles C4'-P-C4' energy: -10.667 flat angles P-C4'-P energy: -7.456 tors. eta vs tors. theta energy: -7.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -143.099523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.099523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.099523 (E_RNA) where: Base-Base interactions energy: -86.099 where: short stacking energy: -47.661 Base-Backbone interact. energy: -0.421 local terms energy: -56.579598 where: bonds (distance) C4'-P energy: -13.432 bonds (distance) P-C4' energy: -8.816 flat angles C4'-P-C4' energy: -12.734 flat angles P-C4'-P energy: -10.611 tors. eta vs tors. theta energy: -10.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -134.241818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.241818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.241818 (E_RNA) where: Base-Base interactions energy: -74.690 where: short stacking energy: -43.132 Base-Backbone interact. energy: -0.067 local terms energy: -59.484696 where: bonds (distance) C4'-P energy: -10.140 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -15.478 flat angles P-C4'-P energy: -8.231 tors. eta vs tors. theta energy: -12.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -124.156120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.156120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.156120 (E_RNA) where: Base-Base interactions energy: -72.691 where: short stacking energy: -43.655 Base-Backbone interact. energy: -0.077 local terms energy: -51.388669 where: bonds (distance) C4'-P energy: -15.161 bonds (distance) P-C4' energy: -12.287 flat angles C4'-P-C4' energy: -13.714 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: -5.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -96.663798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.663798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.663798 (E_RNA) where: Base-Base interactions energy: -39.506 where: short stacking energy: -39.506 Base-Backbone interact. energy: -0.190 local terms energy: -56.967639 where: bonds (distance) C4'-P energy: -13.361 bonds (distance) P-C4' energy: -7.671 flat angles C4'-P-C4' energy: -14.164 flat angles P-C4'-P energy: -10.323 tors. eta vs tors. theta energy: -11.448 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: 8, replica: 3 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -120.723619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.723619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.723619 (E_RNA) where: Base-Base interactions energy: -67.631 where: short stacking energy: -39.501 Base-Backbone interact. energy: -0.103 local terms energy: -52.990130 where: bonds (distance) C4'-P energy: -12.914 bonds (distance) P-C4' energy: -11.335 flat angles C4'-P-C4' energy: -11.715 flat angles P-C4'-P energy: -9.830 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: 9, replica: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -78.701870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.701870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.701870 (E_RNA) where: Base-Base interactions energy: -33.849 where: short stacking energy: -33.849 Base-Backbone interact. energy: -0.165 local terms energy: -44.687771 where: bonds (distance) C4'-P energy: -8.897 bonds (distance) P-C4' energy: -14.306 flat angles C4'-P-C4' energy: -10.286 flat angles P-C4'-P energy: -7.913 tors. eta vs tors. theta energy: -3.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -66.230702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.230702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.230702 (E_RNA) where: Base-Base interactions energy: -23.038 where: short stacking energy: -23.038 Base-Backbone interact. energy: -0.088 local terms energy: -43.105149 where: bonds (distance) C4'-P energy: -13.233 bonds (distance) P-C4' energy: -7.260 flat angles C4'-P-C4' energy: -13.184 flat angles P-C4'-P energy: -10.814 tors. eta vs tors. theta energy: 1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -162.790265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.790265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.790265 (E_RNA) where: Base-Base interactions energy: -94.334 where: short stacking energy: -64.124 Base-Backbone interact. energy: 0.979 local terms energy: -69.434891 where: bonds (distance) C4'-P energy: -12.752 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -14.553 flat angles P-C4'-P energy: -10.387 tors. eta vs tors. theta energy: -17.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -166.739752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.739752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.739752 (E_RNA) where: Base-Base interactions energy: -104.182 where: short stacking energy: -63.076 Base-Backbone interact. energy: -0.035 local terms energy: -62.523117 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -13.449 flat angles P-C4'-P energy: -12.045 tors. eta vs tors. theta energy: -15.188 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: 3, replica: 4 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -136.526151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.526151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.526151 (E_RNA) where: Base-Base interactions energy: -79.564 where: short stacking energy: -49.454 Base-Backbone interact. energy: -0.387 local terms energy: -56.574311 where: bonds (distance) C4'-P energy: -14.868 bonds (distance) P-C4' energy: -10.710 flat angles C4'-P-C4' energy: -10.619 flat angles P-C4'-P energy: -8.796 tors. eta vs tors. theta energy: -11.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -137.189045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.189045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.189045 (E_RNA) where: Base-Base interactions energy: -83.012 where: short stacking energy: -51.222 Base-Backbone interact. energy: -1.142 local terms energy: -53.035523 where: bonds (distance) C4'-P energy: -12.426 bonds (distance) P-C4' energy: -11.676 flat angles C4'-P-C4' energy: -8.982 flat angles P-C4'-P energy: -10.269 tors. eta vs tors. theta energy: -9.683 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: 6 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -142.870839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.870839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.870839 (E_RNA) where: Base-Base interactions energy: -84.818 where: short stacking energy: -52.460 Base-Backbone interact. energy: -0.003 local terms energy: -58.049785 where: bonds (distance) C4'-P energy: -14.789 bonds (distance) P-C4' energy: -13.121 flat angles C4'-P-C4' energy: -11.594 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -13.480 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: 6, replica: 2 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -132.115916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.115916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.115916 (E_RNA) where: Base-Base interactions energy: -74.177 where: short stacking energy: -39.923 Base-Backbone interact. energy: -0.048 local terms energy: -57.890178 where: bonds (distance) C4'-P energy: -15.758 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -9.631 flat angles P-C4'-P energy: -7.554 tors. eta vs tors. theta energy: -10.816 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: 3 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -121.226451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.226451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.226451 (E_RNA) where: Base-Base interactions energy: -71.556 where: short stacking energy: -40.310 Base-Backbone interact. energy: -0.016 local terms energy: -49.654496 where: bonds (distance) C4'-P energy: -8.326 bonds (distance) P-C4' energy: -14.042 flat angles C4'-P-C4' energy: -15.372 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -7.158 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: 7 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -84.734964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.734964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.734964 (E_RNA) where: Base-Base interactions energy: -36.158 where: short stacking energy: -36.158 Base-Backbone interact. energy: -0.230 local terms energy: -48.347070 where: bonds (distance) C4'-P energy: -12.131 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -10.464 flat angles P-C4'-P energy: -8.838 tors. eta vs tors. theta energy: -4.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -75.029936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.029936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.029936 (E_RNA) where: Base-Base interactions energy: -28.406 where: short stacking energy: -26.479 Base-Backbone interact. energy: -0.086 local terms energy: -46.538424 where: bonds (distance) C4'-P energy: -12.985 bonds (distance) P-C4' energy: -13.308 flat angles C4'-P-C4' energy: -9.847 flat angles P-C4'-P energy: -11.359 tors. eta vs tors. theta energy: 0.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -76.413686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.413686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.413686 (E_RNA) where: Base-Base interactions energy: -29.659 where: short stacking energy: -23.906 Base-Backbone interact. energy: -0.068 local terms energy: -46.686664 where: bonds (distance) C4'-P energy: -13.282 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -11.348 flat angles P-C4'-P energy: -10.923 tors. eta vs tors. theta energy: 2.775 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: 63 Temperature: 0.900000 Total energy: -157.817246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.817246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.817246 (E_RNA) where: Base-Base interactions energy: -93.778 where: short stacking energy: -63.075 Base-Backbone interact. energy: -0.000 local terms energy: -64.039200 where: bonds (distance) C4'-P energy: -11.643 bonds (distance) P-C4' energy: -16.221 flat angles C4'-P-C4' energy: -11.253 flat angles P-C4'-P energy: -10.157 tors. eta vs tors. theta energy: -14.765 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: 2, replica: 4 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -155.344576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.344576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.344576 (E_RNA) where: Base-Base interactions energy: -93.713 where: short stacking energy: -56.966 Base-Backbone interact. energy: -0.117 local terms energy: -61.515184 where: bonds (distance) C4'-P energy: -12.239 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -14.782 flat angles P-C4'-P energy: -7.474 tors. eta vs tors. theta energy: -11.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -144.113230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.113230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.113230 (E_RNA) where: Base-Base interactions energy: -83.750 where: short stacking energy: -52.203 Base-Backbone interact. energy: -0.006 local terms energy: -60.356937 where: bonds (distance) C4'-P energy: -11.431 bonds (distance) P-C4' energy: -15.421 flat angles C4'-P-C4' energy: -14.078 flat angles P-C4'-P energy: -7.804 tors. eta vs tors. theta energy: -11.622 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: 63 Temperature: 1.050000 Total energy: -146.829876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.829876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.829876 (E_RNA) where: Base-Base interactions energy: -90.707 where: short stacking energy: -59.194 Base-Backbone interact. energy: -0.024 local terms energy: -56.098698 where: bonds (distance) C4'-P energy: -12.913 bonds (distance) P-C4' energy: -11.751 flat angles C4'-P-C4' energy: -14.339 flat angles P-C4'-P energy: -6.308 tors. eta vs tors. theta energy: -10.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -126.037436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.037436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.037436 (E_RNA) where: Base-Base interactions energy: -74.554 where: short stacking energy: -38.648 Base-Backbone interact. energy: -0.021 local terms energy: -51.462155 where: bonds (distance) C4'-P energy: -12.762 bonds (distance) P-C4' energy: -12.283 flat angles C4'-P-C4' energy: -9.147 flat angles P-C4'-P energy: -8.904 tors. eta vs tors. theta energy: -8.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -130.070639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.070639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.070639 (E_RNA) where: Base-Base interactions energy: -76.558 where: short stacking energy: -45.008 Base-Backbone interact. energy: -0.520 local terms energy: -52.993626 where: bonds (distance) C4'-P energy: -9.679 bonds (distance) P-C4' energy: -10.960 flat angles C4'-P-C4' energy: -12.544 flat angles P-C4'-P energy: -9.533 tors. eta vs tors. theta energy: -10.278 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: 7, replica: 2 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -122.963166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.963166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.963166 (E_RNA) where: Base-Base interactions energy: -72.704 where: short stacking energy: -42.762 Base-Backbone interact. energy: -0.007 local terms energy: -50.252870 where: bonds (distance) C4'-P energy: -10.311 bonds (distance) P-C4' energy: -12.517 flat angles C4'-P-C4' energy: -12.006 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: -12.517 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: 8 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -88.306354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.306354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.306354 (E_RNA) where: Base-Base interactions energy: -36.294 where: short stacking energy: -34.450 Base-Backbone interact. energy: -0.006 local terms energy: -52.006686 where: bonds (distance) C4'-P energy: -10.185 bonds (distance) P-C4' energy: -11.016 flat angles C4'-P-C4' energy: -13.353 flat angles P-C4'-P energy: -9.670 tors. eta vs tors. theta energy: -7.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -73.176604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.176604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.176604 (E_RNA) where: Base-Base interactions energy: -29.447 where: short stacking energy: -29.447 Base-Backbone interact. energy: -0.206 local terms energy: -43.523322 where: bonds (distance) C4'-P energy: -11.122 bonds (distance) P-C4' energy: -11.927 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -8.493 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: 63 Temperature: 1.350000 Total energy: -89.892026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.892026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.892026 (E_RNA) where: Base-Base interactions energy: -34.406 where: short stacking energy: -30.372 Base-Backbone interact. energy: -0.011 local terms energy: -55.474907 where: bonds (distance) C4'-P energy: -12.488 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -14.226 flat angles P-C4'-P energy: -7.087 tors. eta vs tors. theta energy: -7.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -155.357917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.357917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.357917 (E_RNA) where: Base-Base interactions energy: -93.257 where: short stacking energy: -55.698 Base-Backbone interact. energy: 0.025 local terms energy: -62.125900 where: bonds (distance) C4'-P energy: -11.191 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -15.078 flat angles P-C4'-P energy: -9.139 tors. eta vs tors. theta energy: -12.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -156.458936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.458936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.458936 (E_RNA) where: Base-Base interactions energy: -91.727 where: short stacking energy: -62.519 Base-Backbone interact. energy: -0.092 local terms energy: -64.639750 where: bonds (distance) C4'-P energy: -13.466 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -13.877 flat angles P-C4'-P energy: -8.799 tors. eta vs tors. theta energy: -15.838 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: 6 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -148.457136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.457136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.457136 (E_RNA) where: Base-Base interactions energy: -90.194 where: short stacking energy: -54.234 Base-Backbone interact. energy: -0.142 local terms energy: -58.121001 where: bonds (distance) C4'-P energy: -12.947 bonds (distance) P-C4' energy: -13.021 flat angles C4'-P-C4' energy: -11.101 flat angles P-C4'-P energy: -10.082 tors. eta vs tors. theta energy: -10.970 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: 64 Temperature: 1.050000 Total energy: -157.626624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.626624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.626624 (E_RNA) where: Base-Base interactions energy: -90.634 where: short stacking energy: -56.311 Base-Backbone interact. energy: -0.095 local terms energy: -66.897477 where: bonds (distance) C4'-P energy: -13.121 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -11.043 flat angles P-C4'-P energy: -9.567 tors. eta vs tors. theta energy: -17.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -133.545909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.545909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.545909 (E_RNA) where: Base-Base interactions energy: -74.439 where: short stacking energy: -45.022 Base-Backbone interact. energy: 2.108 local terms energy: -61.214646 where: bonds (distance) C4'-P energy: -13.712 bonds (distance) P-C4' energy: -13.738 flat angles C4'-P-C4' energy: -12.827 flat angles P-C4'-P energy: -10.498 tors. eta vs tors. theta energy: -10.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -98.839836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.839836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.839836 (E_RNA) where: Base-Base interactions energy: -54.486 where: short stacking energy: -32.161 Base-Backbone interact. energy: -0.137 local terms energy: -44.217012 where: bonds (distance) C4'-P energy: -12.200 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -7.640 tors. eta vs tors. theta energy: -4.020 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: 2 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -103.175312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.175312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.175312 (E_RNA) where: Base-Base interactions energy: -57.697 where: short stacking energy: -41.181 Base-Backbone interact. energy: 1.123 local terms energy: -46.601906 where: bonds (distance) C4'-P energy: -6.355 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -14.901 flat angles P-C4'-P energy: -5.857 tors. eta vs tors. theta energy: -7.087 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: 64 Temperature: 1.250000 Total energy: -68.807092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.807092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.807092 (E_RNA) where: Base-Base interactions energy: -33.285 where: short stacking energy: -28.621 Base-Backbone interact. energy: -0.183 local terms energy: -35.339328 where: bonds (distance) C4'-P energy: -7.798 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -8.730 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: 2.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -91.417808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.417808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.417808 (E_RNA) where: Base-Base interactions energy: -39.552 where: short stacking energy: -39.552 Base-Backbone interact. energy: -0.001 local terms energy: -51.864740 where: bonds (distance) C4'-P energy: -10.992 bonds (distance) P-C4' energy: -7.204 flat angles C4'-P-C4' energy: -14.800 flat angles P-C4'-P energy: -5.901 tors. eta vs tors. theta energy: -12.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -75.681731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.681731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.681731 (E_RNA) where: Base-Base interactions energy: -34.062 where: short stacking energy: -34.062 Base-Backbone interact. energy: 0.401 local terms energy: -42.021310 where: bonds (distance) C4'-P energy: -6.609 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -11.652 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -4.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -154.816224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.816224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.816224 (E_RNA) where: Base-Base interactions energy: -93.302 where: short stacking energy: -55.664 Base-Backbone interact. energy: -0.044 local terms energy: -61.469565 where: bonds (distance) C4'-P energy: -9.623 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -10.626 tors. eta vs tors. theta energy: -11.957 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: 6 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -154.896810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.896810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.896810 (E_RNA) where: Base-Base interactions energy: -95.321 where: short stacking energy: -62.582 Base-Backbone interact. energy: -0.097 local terms energy: -59.478394 where: bonds (distance) C4'-P energy: -11.599 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -9.106 flat angles P-C4'-P energy: -6.777 tors. eta vs tors. theta energy: -16.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -153.826409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.826409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.826409 (E_RNA) where: Base-Base interactions energy: -87.491 where: short stacking energy: -52.366 Base-Backbone interact. energy: 0.172 local terms energy: -66.506922 where: bonds (distance) C4'-P energy: -12.426 bonds (distance) P-C4' energy: -14.287 flat angles C4'-P-C4' energy: -14.618 flat angles P-C4'-P energy: -10.086 tors. eta vs tors. theta energy: -15.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -141.441042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.441042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.441042 (E_RNA) where: Base-Base interactions energy: -83.256 where: short stacking energy: -57.251 Base-Backbone interact. energy: -0.749 local terms energy: -57.435272 where: bonds (distance) C4'-P energy: -10.496 bonds (distance) P-C4' energy: -12.591 flat angles C4'-P-C4' energy: -14.277 flat angles P-C4'-P energy: -10.368 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: 5, replica: 1 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -142.726219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.726219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.726219 (E_RNA) where: Base-Base interactions energy: -82.121 where: short stacking energy: -55.323 Base-Backbone interact. energy: -0.064 local terms energy: -60.541775 where: bonds (distance) C4'-P energy: -14.032 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -10.186 flat angles P-C4'-P energy: -12.404 tors. eta vs tors. theta energy: -9.657 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: 2 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -98.259705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.259705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.259705 (E_RNA) where: Base-Base interactions energy: -44.263 where: short stacking energy: -42.044 Base-Backbone interact. energy: -0.065 local terms energy: -53.931825 where: bonds (distance) C4'-P energy: -13.259 bonds (distance) P-C4' energy: -13.989 flat angles C4'-P-C4' energy: -11.985 flat angles P-C4'-P energy: -9.019 tors. eta vs tors. theta energy: -5.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -91.659778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.659778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.659778 (E_RNA) where: Base-Base interactions energy: -50.713 where: short stacking energy: -40.882 Base-Backbone interact. energy: -0.243 local terms energy: -40.703112 where: bonds (distance) C4'-P energy: -9.519 bonds (distance) P-C4' energy: -10.095 flat angles C4'-P-C4' energy: -10.365 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -6.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -85.541885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.541885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.541885 (E_RNA) where: Base-Base interactions energy: -39.085 where: short stacking energy: -30.901 Base-Backbone interact. energy: -0.021 local terms energy: -46.436614 where: bonds (distance) C4'-P energy: -10.637 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -7.818 tors. eta vs tors. theta energy: -8.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -80.363972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.363972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.363972 (E_RNA) where: Base-Base interactions energy: -39.815 where: short stacking energy: -39.815 Base-Backbone interact. energy: -0.028 local terms energy: -40.521097 where: bonds (distance) C4'-P energy: -7.400 bonds (distance) P-C4' energy: -13.563 flat angles C4'-P-C4' energy: -9.891 flat angles P-C4'-P energy: -1.117 tors. eta vs tors. theta energy: -8.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -67.712130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.712130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.712130 (E_RNA) where: Base-Base interactions energy: -26.311 where: short stacking energy: -24.800 Base-Backbone interact. energy: 0.640 local terms energy: -42.040774 where: bonds (distance) C4'-P energy: -8.547 bonds (distance) P-C4' energy: -9.872 flat angles C4'-P-C4' energy: -10.897 flat angles P-C4'-P energy: -9.594 tors. eta vs tors. theta energy: -3.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -155.436157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.436157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.436157 (E_RNA) where: Base-Base interactions energy: -94.610 where: short stacking energy: -59.381 Base-Backbone interact. energy: 0.839 local terms energy: -61.665119 where: bonds (distance) C4'-P energy: -9.353 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -14.940 flat angles P-C4'-P energy: -11.262 tors. eta vs tors. theta energy: -12.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -159.984761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.984761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.984761 (E_RNA) where: Base-Base interactions energy: -96.351 where: short stacking energy: -61.628 Base-Backbone interact. energy: -0.008 local terms energy: -63.626071 where: bonds (distance) C4'-P energy: -11.984 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -14.749 flat angles P-C4'-P energy: -9.326 tors. eta vs tors. theta energy: -14.250 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: 10 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -154.581552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.581552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.581552 (E_RNA) where: Base-Base interactions energy: -93.695 where: short stacking energy: -61.245 Base-Backbone interact. energy: -0.011 local terms energy: -60.875873 where: bonds (distance) C4'-P energy: -8.994 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -13.177 flat angles P-C4'-P energy: -8.299 tors. eta vs tors. theta energy: -16.214 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: 3 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -138.262248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.262248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.262248 (E_RNA) where: Base-Base interactions energy: -81.114 where: short stacking energy: -44.713 Base-Backbone interact. energy: -0.744 local terms energy: -56.403387 where: bonds (distance) C4'-P energy: -13.684 bonds (distance) P-C4' energy: -11.476 flat angles C4'-P-C4' energy: -14.597 flat angles P-C4'-P energy: -8.635 tors. eta vs tors. theta energy: -8.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -134.788004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.788004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.788004 (E_RNA) where: Base-Base interactions energy: -77.350 where: short stacking energy: -46.778 Base-Backbone interact. energy: -0.817 local terms energy: -56.620826 where: bonds (distance) C4'-P energy: -9.685 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -8.026 tors. eta vs tors. theta energy: -11.112 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: 2 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -105.858065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.858065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.858065 (E_RNA) where: Base-Base interactions energy: -54.686 where: short stacking energy: -51.343 Base-Backbone interact. energy: -0.021 local terms energy: -51.151048 where: bonds (distance) C4'-P energy: -7.533 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -5.683 tors. eta vs tors. theta energy: -12.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -102.274199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.274199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.274199 (E_RNA) where: Base-Base interactions energy: -60.512 where: short stacking energy: -37.397 Base-Backbone interact. energy: -0.284 local terms energy: -41.478504 where: bonds (distance) C4'-P energy: -9.258 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -10.277 flat angles P-C4'-P energy: -8.930 tors. eta vs tors. theta energy: -4.363 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: 5 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -84.499603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.499603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.499603 (E_RNA) where: Base-Base interactions energy: -38.909 where: short stacking energy: -38.909 Base-Backbone interact. energy: -0.644 local terms energy: -44.947119 where: bonds (distance) C4'-P energy: -11.419 bonds (distance) P-C4' energy: -12.604 flat angles C4'-P-C4' energy: -12.747 flat angles P-C4'-P energy: -6.820 tors. eta vs tors. theta energy: -1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -86.954168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.954168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.954168 (E_RNA) where: Base-Base interactions energy: -36.049 where: short stacking energy: -32.346 Base-Backbone interact. energy: -0.101 local terms energy: -50.804372 where: bonds (distance) C4'-P energy: -11.395 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -13.945 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -5.963 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: 10, replica: 7 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -76.669799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.669799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.669799 (E_RNA) where: Base-Base interactions energy: -36.839 where: short stacking energy: -34.518 Base-Backbone interact. energy: -0.067 local terms energy: -39.763811 where: bonds (distance) C4'-P energy: -10.898 bonds (distance) P-C4' energy: -9.895 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -10.269 tors. eta vs tors. theta energy: -3.526 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: 6 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -162.676272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.676272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.676272 (E_RNA) where: Base-Base interactions energy: -98.211 where: short stacking energy: -61.968 Base-Backbone interact. energy: -0.087 local terms energy: -64.378365 where: bonds (distance) C4'-P energy: -11.532 bonds (distance) P-C4' energy: -14.436 flat angles C4'-P-C4' energy: -11.488 flat angles P-C4'-P energy: -10.946 tors. eta vs tors. theta energy: -15.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -164.956163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.956163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.956163 (E_RNA) where: Base-Base interactions energy: -100.621 where: short stacking energy: -64.097 Base-Backbone interact. energy: -0.000 local terms energy: -64.334571 where: bonds (distance) C4'-P energy: -11.288 bonds (distance) P-C4' energy: -11.367 flat angles C4'-P-C4' energy: -12.566 flat angles P-C4'-P energy: -11.114 tors. eta vs tors. theta energy: -18.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -142.726546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.726546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.726546 (E_RNA) where: Base-Base interactions energy: -95.018 where: short stacking energy: -56.006 Base-Backbone interact. energy: -1.360 local terms energy: -46.348831 where: bonds (distance) C4'-P energy: -7.673 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -8.087 tors. eta vs tors. theta energy: -14.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -137.201906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.201906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.201906 (E_RNA) where: Base-Base interactions energy: -84.863 where: short stacking energy: -49.732 Base-Backbone interact. energy: -0.098 local terms energy: -52.240174 where: bonds (distance) C4'-P energy: -10.832 bonds (distance) P-C4' energy: -12.335 flat angles C4'-P-C4' energy: -11.562 flat angles P-C4'-P energy: -7.159 tors. eta vs tors. theta energy: -10.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -131.672538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.672538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.672538 (E_RNA) where: Base-Base interactions energy: -72.865 where: short stacking energy: -43.722 Base-Backbone interact. energy: -0.121 local terms energy: -58.687018 where: bonds (distance) C4'-P energy: -13.970 bonds (distance) P-C4' energy: -12.363 flat angles C4'-P-C4' energy: -10.387 flat angles P-C4'-P energy: -11.243 tors. eta vs tors. theta energy: -10.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -95.004852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.004852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.004852 (E_RNA) where: Base-Base interactions energy: -52.640 where: short stacking energy: -28.688 Base-Backbone interact. energy: 0.188 local terms energy: -42.553483 where: bonds (distance) C4'-P energy: -11.751 bonds (distance) P-C4' energy: -10.052 flat angles C4'-P-C4' energy: -9.188 flat angles P-C4'-P energy: -10.461 tors. eta vs tors. theta energy: -1.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -97.347505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.347505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.347505 (E_RNA) where: Base-Base interactions energy: -50.911 where: short stacking energy: -36.594 Base-Backbone interact. energy: -0.116 local terms energy: -46.319892 where: bonds (distance) C4'-P energy: -9.622 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -8.989 flat angles P-C4'-P energy: -9.841 tors. eta vs tors. theta energy: -3.028 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: 8 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -80.092818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.092818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.092818 (E_RNA) where: Base-Base interactions energy: -31.624 where: short stacking energy: -26.154 Base-Backbone interact. energy: -0.141 local terms energy: -48.328243 where: bonds (distance) C4'-P energy: -11.182 bonds (distance) P-C4' energy: -13.808 flat angles C4'-P-C4' energy: -8.959 flat angles P-C4'-P energy: -11.239 tors. eta vs tors. theta energy: -3.141 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: 9, replica: 5 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -85.670955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.670955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.670955 (E_RNA) where: Base-Base interactions energy: -35.992 where: short stacking energy: -33.864 Base-Backbone interact. energy: -0.010 local terms energy: -49.669013 where: bonds (distance) C4'-P energy: -12.464 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -12.331 flat angles P-C4'-P energy: -8.746 tors. eta vs tors. theta energy: -2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -79.439191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.439191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.439191 (E_RNA) where: Base-Base interactions energy: -37.832 where: short stacking energy: -37.832 Base-Backbone interact. energy: -0.098 local terms energy: -41.509303 where: bonds (distance) C4'-P energy: -5.764 bonds (distance) P-C4' energy: -10.876 flat angles C4'-P-C4' energy: -9.302 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -10.326 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: 6 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -162.873432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.873432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.873432 (E_RNA) where: Base-Base interactions energy: -97.156 where: short stacking energy: -59.030 Base-Backbone interact. energy: -0.063 local terms energy: -65.654870 where: bonds (distance) C4'-P energy: -11.751 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -14.745 flat angles P-C4'-P energy: -9.377 tors. eta vs tors. theta energy: -15.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -168.019162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.019162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.019162 (E_RNA) where: Base-Base interactions energy: -98.958 where: short stacking energy: -65.270 Base-Backbone interact. energy: -0.000 local terms energy: -69.061255 where: bonds (distance) C4'-P energy: -13.651 bonds (distance) P-C4' energy: -15.641 flat angles C4'-P-C4' energy: -14.279 flat angles P-C4'-P energy: -8.488 tors. eta vs tors. theta energy: -17.003 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: 1 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -142.421441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.421441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.421441 (E_RNA) where: Base-Base interactions energy: -82.112 where: short stacking energy: -50.832 Base-Backbone interact. energy: -0.087 local terms energy: -60.222906 where: bonds (distance) C4'-P energy: -11.925 bonds (distance) P-C4' energy: -12.769 flat angles C4'-P-C4' energy: -14.490 flat angles P-C4'-P energy: -8.952 tors. eta vs tors. theta energy: -12.086 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: 10 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -134.041020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.041020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.041020 (E_RNA) where: Base-Base interactions energy: -71.779 where: short stacking energy: -46.141 Base-Backbone interact. energy: -0.019 local terms energy: -62.242779 where: bonds (distance) C4'-P energy: -14.706 bonds (distance) P-C4' energy: -14.989 flat angles C4'-P-C4' energy: -14.308 flat angles P-C4'-P energy: -12.459 tors. eta vs tors. theta energy: -5.780 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: 3 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -141.370223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.370223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.370223 (E_RNA) where: Base-Base interactions energy: -81.955 where: short stacking energy: -48.717 Base-Backbone interact. energy: -0.212 local terms energy: -59.203593 where: bonds (distance) C4'-P energy: -13.812 bonds (distance) P-C4' energy: -13.145 flat angles C4'-P-C4' energy: -11.370 flat angles P-C4'-P energy: -6.321 tors. eta vs tors. theta energy: -14.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -102.241477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.241477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.241477 (E_RNA) where: Base-Base interactions energy: -45.677 where: short stacking energy: -45.677 Base-Backbone interact. energy: -0.262 local terms energy: -56.302183 where: bonds (distance) C4'-P energy: -10.289 bonds (distance) P-C4' energy: -12.933 flat angles C4'-P-C4' energy: -13.972 flat angles P-C4'-P energy: -10.456 tors. eta vs tors. theta energy: -8.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -95.091318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.091318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.091318 (E_RNA) where: Base-Base interactions energy: -44.379 where: short stacking energy: -36.867 Base-Backbone interact. energy: -0.003 local terms energy: -50.709146 where: bonds (distance) C4'-P energy: -11.747 bonds (distance) P-C4' energy: -13.219 flat angles C4'-P-C4' energy: -10.733 flat angles P-C4'-P energy: -7.489 tors. eta vs tors. theta energy: -7.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -92.490864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.490864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.490864 (E_RNA) where: Base-Base interactions energy: -41.866 where: short stacking energy: -39.204 Base-Backbone interact. energy: -0.120 local terms energy: -50.505279 where: bonds (distance) C4'-P energy: -12.487 bonds (distance) P-C4' energy: -12.177 flat angles C4'-P-C4' energy: -12.330 flat angles P-C4'-P energy: -4.754 tors. eta vs tors. theta energy: -8.758 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: 7 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -82.712271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.712271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.712271 (E_RNA) where: Base-Base interactions energy: -27.352 where: short stacking energy: -26.691 Base-Backbone interact. energy: -0.006 local terms energy: -55.354079 where: bonds (distance) C4'-P energy: -11.166 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -12.194 flat angles P-C4'-P energy: -11.637 tors. eta vs tors. theta energy: -6.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -68.637926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.637926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.637926 (E_RNA) where: Base-Base interactions energy: -23.456 where: short stacking energy: -23.338 Base-Backbone interact. energy: -0.328 local terms energy: -44.853240 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -14.343 flat angles C4'-P-C4' energy: -11.049 flat angles P-C4'-P energy: -6.517 tors. eta vs tors. theta energy: -3.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -162.574489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.574489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.574489 (E_RNA) where: Base-Base interactions energy: -98.448 where: short stacking energy: -64.124 Base-Backbone interact. energy: -0.001 local terms energy: -64.125291 where: bonds (distance) C4'-P energy: -10.108 bonds (distance) P-C4' energy: -14.491 flat angles C4'-P-C4' energy: -13.200 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -16.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -153.390408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.390408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.390408 (E_RNA) where: Base-Base interactions energy: -92.326 where: short stacking energy: -54.142 Base-Backbone interact. energy: 0.152 local terms energy: -61.216585 where: bonds (distance) C4'-P energy: -12.972 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -13.147 flat angles P-C4'-P energy: -7.807 tors. eta vs tors. theta energy: -13.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -147.260096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.260096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.260096 (E_RNA) where: Base-Base interactions energy: -86.483 where: short stacking energy: -54.943 Base-Backbone interact. energy: -0.023 local terms energy: -60.754541 where: bonds (distance) C4'-P energy: -11.723 bonds (distance) P-C4' energy: -14.250 flat angles C4'-P-C4' energy: -12.610 flat angles P-C4'-P energy: -9.379 tors. eta vs tors. theta energy: -12.793 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: 4, replica: 3 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -155.350695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.350695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.350695 (E_RNA) where: Base-Base interactions energy: -95.401 where: short stacking energy: -59.553 Base-Backbone interact. energy: -0.435 local terms energy: -59.515262 where: bonds (distance) C4'-P energy: -13.601 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -10.587 flat angles P-C4'-P energy: -6.563 tors. eta vs tors. theta energy: -15.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -124.844089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.844089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.844089 (E_RNA) where: Base-Base interactions energy: -75.112 where: short stacking energy: -44.624 Base-Backbone interact. energy: -0.057 local terms energy: -49.675625 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -10.874 flat angles C4'-P-C4' energy: -10.520 flat angles P-C4'-P energy: -7.787 tors. eta vs tors. theta energy: -7.841 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: 9 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -102.598521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.598521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.598521 (E_RNA) where: Base-Base interactions energy: -50.268 where: short stacking energy: -27.458 Base-Backbone interact. energy: -0.086 local terms energy: -52.244727 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -13.376 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -10.619 tors. eta vs tors. theta energy: -2.220 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: 2 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -84.482970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.482970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.482970 (E_RNA) where: Base-Base interactions energy: -35.599 where: short stacking energy: -32.928 Base-Backbone interact. energy: -0.056 local terms energy: -48.827724 where: bonds (distance) C4'-P energy: -7.831 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -15.318 flat angles P-C4'-P energy: -9.482 tors. eta vs tors. theta energy: -2.234 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: 7 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -82.488304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.488304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.488304 (E_RNA) where: Base-Base interactions energy: -32.815 where: short stacking energy: -32.815 Base-Backbone interact. energy: -0.154 local terms energy: -49.519330 where: bonds (distance) C4'-P energy: -11.051 bonds (distance) P-C4' energy: -13.720 flat angles C4'-P-C4' energy: -13.340 flat angles P-C4'-P energy: -10.528 tors. eta vs tors. theta energy: -0.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -84.469658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.469658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.469658 (E_RNA) where: Base-Base interactions energy: -40.042 where: short stacking energy: -40.042 Base-Backbone interact. energy: -0.003 local terms energy: -44.424475 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -9.666 flat angles C4'-P-C4' energy: -8.254 flat angles P-C4'-P energy: -8.669 tors. eta vs tors. theta energy: -5.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -68.431300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.431300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.431300 (E_RNA) where: Base-Base interactions energy: -39.870 where: short stacking energy: -34.251 Base-Backbone interact. energy: -0.602 local terms energy: -27.959413 where: bonds (distance) C4'-P energy: -9.759 bonds (distance) P-C4' energy: -2.439 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -8.585 tors. eta vs tors. theta energy: -2.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -163.223410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.223410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.223410 (E_RNA) where: Base-Base interactions energy: -98.619 where: short stacking energy: -63.126 Base-Backbone interact. energy: -0.006 local terms energy: -64.598428 where: bonds (distance) C4'-P energy: -11.533 bonds (distance) P-C4' energy: -12.751 flat angles C4'-P-C4' energy: -14.472 flat angles P-C4'-P energy: -10.711 tors. eta vs tors. theta energy: -15.132 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: 2, replica: 6 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -150.818180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.818180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.818180 (E_RNA) where: Base-Base interactions energy: -89.383 where: short stacking energy: -62.815 Base-Backbone interact. energy: 1.609 local terms energy: -63.044408 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -13.342 flat angles C4'-P-C4' energy: -13.661 flat angles P-C4'-P energy: -8.331 tors. eta vs tors. theta energy: -14.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -136.197798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.197798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.197798 (E_RNA) where: Base-Base interactions energy: -77.274 where: short stacking energy: -45.429 Base-Backbone interact. energy: 0.731 local terms energy: -59.654497 where: bonds (distance) C4'-P energy: -14.665 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -13.463 flat angles P-C4'-P energy: -8.699 tors. eta vs tors. theta energy: -6.818 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: 4 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -147.011389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.011389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.011389 (E_RNA) where: Base-Base interactions energy: -87.049 where: short stacking energy: -57.270 Base-Backbone interact. energy: -0.032 local terms energy: -59.930532 where: bonds (distance) C4'-P energy: -14.351 bonds (distance) P-C4' energy: -12.010 flat angles C4'-P-C4' energy: -13.079 flat angles P-C4'-P energy: -6.090 tors. eta vs tors. theta energy: -14.400 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: 5, replica: 10 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -139.842786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.842786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.842786 (E_RNA) where: Base-Base interactions energy: -76.701 where: short stacking energy: -52.417 Base-Backbone interact. energy: -0.104 local terms energy: -63.037995 where: bonds (distance) C4'-P energy: -13.422 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -11.228 flat angles P-C4'-P energy: -8.727 tors. eta vs tors. theta energy: -13.687 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: 6, replica: 9 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -86.123877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.123877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.123877 (E_RNA) where: Base-Base interactions energy: -41.294 where: short stacking energy: -34.475 Base-Backbone interact. energy: 0.377 local terms energy: -45.206118 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -9.590 flat angles P-C4'-P energy: -9.325 tors. eta vs tors. theta energy: -5.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -100.571031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.571031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.571031 (E_RNA) where: Base-Base interactions energy: -55.697 where: short stacking energy: -38.815 Base-Backbone interact. energy: -0.004 local terms energy: -44.869743 where: bonds (distance) C4'-P energy: -10.174 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -11.333 flat angles P-C4'-P energy: -2.959 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: 8, replica: 2 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -98.837944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.837944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.837944 (E_RNA) where: Base-Base interactions energy: -44.056 where: short stacking energy: -39.290 Base-Backbone interact. energy: 0.291 local terms energy: -55.072773 where: bonds (distance) C4'-P energy: -11.850 bonds (distance) P-C4' energy: -15.319 flat angles C4'-P-C4' energy: -11.414 flat angles P-C4'-P energy: -8.449 tors. eta vs tors. theta energy: -8.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -81.737105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.737105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.737105 (E_RNA) where: Base-Base interactions energy: -39.079 where: short stacking energy: -34.256 Base-Backbone interact. energy: -0.236 local terms energy: -42.421981 where: bonds (distance) C4'-P energy: -11.557 bonds (distance) P-C4' energy: -10.989 flat angles C4'-P-C4' energy: -12.840 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -2.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -66.020029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.020029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.020029 (E_RNA) where: Base-Base interactions energy: -22.208 where: short stacking energy: -15.508 Base-Backbone interact. energy: -0.147 local terms energy: -43.665013 where: bonds (distance) C4'-P energy: -11.527 bonds (distance) P-C4' energy: -13.778 flat angles C4'-P-C4' energy: -10.015 flat angles P-C4'-P energy: -6.090 tors. eta vs tors. theta energy: -2.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -169.224030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.224030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.224030 (E_RNA) where: Base-Base interactions energy: -104.115 where: short stacking energy: -66.062 Base-Backbone interact. energy: -0.002 local terms energy: -65.106743 where: bonds (distance) C4'-P energy: -10.761 bonds (distance) P-C4' energy: -12.438 flat angles C4'-P-C4' energy: -14.241 flat angles P-C4'-P energy: -9.840 tors. eta vs tors. theta energy: -17.826 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: 3 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -159.788522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.788522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.788522 (E_RNA) where: Base-Base interactions energy: -93.756 where: short stacking energy: -60.203 Base-Backbone interact. energy: -0.000 local terms energy: -66.032200 where: bonds (distance) C4'-P energy: -14.069 bonds (distance) P-C4' energy: -13.284 flat angles C4'-P-C4' energy: -13.737 flat angles P-C4'-P energy: -8.398 tors. eta vs tors. theta energy: -16.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -156.220473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.220473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.220473 (E_RNA) where: Base-Base interactions energy: -94.672 where: short stacking energy: -62.613 Base-Backbone interact. energy: -0.055 local terms energy: -61.494318 where: bonds (distance) C4'-P energy: -10.924 bonds (distance) P-C4' energy: -11.447 flat angles C4'-P-C4' energy: -13.641 flat angles P-C4'-P energy: -11.659 tors. eta vs tors. theta energy: -13.824 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: 4 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -142.452077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.452077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.452077 (E_RNA) where: Base-Base interactions energy: -92.189 where: short stacking energy: -52.305 Base-Backbone interact. energy: -0.093 local terms energy: -50.169711 where: bonds (distance) C4'-P energy: -5.830 bonds (distance) P-C4' energy: -11.926 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -8.583 tors. eta vs tors. theta energy: -11.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -118.931966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.931966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.931966 (E_RNA) where: Base-Base interactions energy: -74.067 where: short stacking energy: -45.162 Base-Backbone interact. energy: -0.037 local terms energy: -44.827514 where: bonds (distance) C4'-P energy: -6.045 bonds (distance) P-C4' energy: -11.066 flat angles C4'-P-C4' energy: -12.959 flat angles P-C4'-P energy: -9.945 tors. eta vs tors. theta energy: -4.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -102.216490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.216490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.216490 (E_RNA) where: Base-Base interactions energy: -49.626 where: short stacking energy: -49.626 Base-Backbone interact. energy: -0.103 local terms energy: -52.488166 where: bonds (distance) C4'-P energy: -12.053 bonds (distance) P-C4' energy: -12.602 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -8.000 tors. eta vs tors. theta energy: -14.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -103.321122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.321122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.321122 (E_RNA) where: Base-Base interactions energy: -46.418 where: short stacking energy: -46.418 Base-Backbone interact. energy: -0.034 local terms energy: -56.868884 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -10.256 flat angles C4'-P-C4' energy: -11.198 flat angles P-C4'-P energy: -9.286 tors. eta vs tors. theta energy: -14.919 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: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -81.047267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.047267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.047267 (E_RNA) where: Base-Base interactions energy: -35.390 where: short stacking energy: -35.390 Base-Backbone interact. energy: -0.016 local terms energy: -45.641216 where: bonds (distance) C4'-P energy: -13.954 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -5.281 tors. eta vs tors. theta energy: -6.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -77.166245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.166245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.166245 (E_RNA) where: Base-Base interactions energy: -35.841 where: short stacking energy: -25.563 Base-Backbone interact. energy: -0.338 local terms energy: -40.986780 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -11.353 flat angles C4'-P-C4' energy: -12.426 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -1.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -83.768405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.768405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.768405 (E_RNA) where: Base-Base interactions energy: -34.797 where: short stacking energy: -34.797 Base-Backbone interact. energy: -0.120 local terms energy: -48.850830 where: bonds (distance) C4'-P energy: -10.624 bonds (distance) P-C4' energy: -13.719 flat angles C4'-P-C4' energy: -11.974 flat angles P-C4'-P energy: -8.300 tors. eta vs tors. theta energy: -4.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -169.880252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.880252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.880252 (E_RNA) where: Base-Base interactions energy: -104.614 where: short stacking energy: -64.646 Base-Backbone interact. energy: 0.523 local terms energy: -65.789625 where: bonds (distance) C4'-P energy: -10.278 bonds (distance) P-C4' energy: -14.476 flat angles C4'-P-C4' energy: -14.909 flat angles P-C4'-P energy: -12.495 tors. eta vs tors. theta energy: -13.632 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: 1 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -168.653604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.653604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.653604 (E_RNA) where: Base-Base interactions energy: -104.722 where: short stacking energy: -63.501 Base-Backbone interact. energy: -0.001 local terms energy: -63.931044 where: bonds (distance) C4'-P energy: -12.733 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -13.487 flat angles P-C4'-P energy: -11.114 tors. eta vs tors. theta energy: -14.375 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: 6 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -149.073585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.073585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.073585 (E_RNA) where: Base-Base interactions energy: -88.106 where: short stacking energy: -53.616 Base-Backbone interact. energy: -0.082 local terms energy: -60.886162 where: bonds (distance) C4'-P energy: -14.230 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -13.544 flat angles P-C4'-P energy: -6.690 tors. eta vs tors. theta energy: -11.593 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: 4 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -148.650650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.650650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.650650 (E_RNA) where: Base-Base interactions energy: -87.900 where: short stacking energy: -53.707 Base-Backbone interact. energy: -0.002 local terms energy: -60.748787 where: bonds (distance) C4'-P energy: -13.055 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -13.119 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -13.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -130.781375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.781375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.781375 (E_RNA) where: Base-Base interactions energy: -77.624 where: short stacking energy: -47.435 Base-Backbone interact. energy: -0.288 local terms energy: -52.869239 where: bonds (distance) C4'-P energy: -11.465 bonds (distance) P-C4' energy: -7.608 flat angles C4'-P-C4' energy: -11.826 flat angles P-C4'-P energy: -10.107 tors. eta vs tors. theta energy: -11.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -93.732201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.732201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.732201 (E_RNA) where: Base-Base interactions energy: -42.636 where: short stacking energy: -42.636 Base-Backbone interact. energy: 0.331 local terms energy: -51.426481 where: bonds (distance) C4'-P energy: -10.570 bonds (distance) P-C4' energy: -13.854 flat angles C4'-P-C4' energy: -10.960 flat angles P-C4'-P energy: -8.653 tors. eta vs tors. theta energy: -7.390 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: 2 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -89.039766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.039766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.039766 (E_RNA) where: Base-Base interactions energy: -39.935 where: short stacking energy: -39.935 Base-Backbone interact. energy: -0.002 local terms energy: -49.102888 where: bonds (distance) C4'-P energy: -13.502 bonds (distance) P-C4' energy: -10.972 flat angles C4'-P-C4' energy: -11.733 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: -8.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -87.287130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.287130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.287130 (E_RNA) where: Base-Base interactions energy: -35.519 where: short stacking energy: -35.519 Base-Backbone interact. energy: -0.076 local terms energy: -51.692065 where: bonds (distance) C4'-P energy: -14.123 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -9.947 flat angles P-C4'-P energy: -7.599 tors. eta vs tors. theta energy: -5.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -87.885710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.885710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.885710 (E_RNA) where: Base-Base interactions energy: -36.835 where: short stacking energy: -30.469 Base-Backbone interact. energy: -0.032 local terms energy: -51.018215 where: bonds (distance) C4'-P energy: -13.163 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -9.817 flat angles P-C4'-P energy: -6.947 tors. eta vs tors. theta energy: -5.779 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: 5 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -66.221101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.221101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.221101 (E_RNA) where: Base-Base interactions energy: -23.175 where: short stacking energy: -23.175 Base-Backbone interact. energy: -0.322 local terms energy: -42.724304 where: bonds (distance) C4'-P energy: -12.578 bonds (distance) P-C4' energy: -10.003 flat angles C4'-P-C4' energy: -11.257 flat angles P-C4'-P energy: -10.463 tors. eta vs tors. theta energy: 1.577 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: 3 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -157.958235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.958235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.958235 (E_RNA) where: Base-Base interactions energy: -96.169 where: short stacking energy: -62.458 Base-Backbone interact. energy: -0.098 local terms energy: -61.690660 where: bonds (distance) C4'-P energy: -13.729 bonds (distance) P-C4' energy: -15.115 flat angles C4'-P-C4' energy: -11.916 flat angles P-C4'-P energy: -6.396 tors. eta vs tors. theta energy: -14.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -141.990324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.990324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.990324 (E_RNA) where: Base-Base interactions energy: -86.857 where: short stacking energy: -54.030 Base-Backbone interact. energy: -0.051 local terms energy: -55.082783 where: bonds (distance) C4'-P energy: -9.275 bonds (distance) P-C4' energy: -11.587 flat angles C4'-P-C4' energy: -13.172 flat angles P-C4'-P energy: -7.953 tors. eta vs tors. theta energy: -13.095 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: 1 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -151.617562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.617562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.617562 (E_RNA) where: Base-Base interactions energy: -94.742 where: short stacking energy: -50.191 Base-Backbone interact. energy: -0.539 local terms energy: -56.336801 where: bonds (distance) C4'-P energy: -10.388 bonds (distance) P-C4' energy: -13.848 flat angles C4'-P-C4' energy: -11.074 flat angles P-C4'-P energy: -9.633 tors. eta vs tors. theta energy: -11.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -140.697950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.697950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.697950 (E_RNA) where: Base-Base interactions energy: -88.813 where: short stacking energy: -55.356 Base-Backbone interact. energy: -0.561 local terms energy: -51.324113 where: bonds (distance) C4'-P energy: -5.500 bonds (distance) P-C4' energy: -10.827 flat angles C4'-P-C4' energy: -10.314 flat angles P-C4'-P energy: -12.190 tors. eta vs tors. theta energy: -12.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -129.109486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.109486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.109486 (E_RNA) where: Base-Base interactions energy: -80.551 where: short stacking energy: -47.454 Base-Backbone interact. energy: -0.916 local terms energy: -47.642644 where: bonds (distance) C4'-P energy: -7.797 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -12.856 flat angles P-C4'-P energy: -8.011 tors. eta vs tors. theta energy: -5.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -104.507507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.507507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.507507 (E_RNA) where: Base-Base interactions energy: -42.913 where: short stacking energy: -42.913 Base-Backbone interact. energy: -0.002 local terms energy: -61.593008 where: bonds (distance) C4'-P energy: -12.752 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -12.067 flat angles P-C4'-P energy: -9.095 tors. eta vs tors. theta energy: -14.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -89.714053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.714053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.714053 (E_RNA) where: Base-Base interactions energy: -39.767 where: short stacking energy: -39.767 Base-Backbone interact. energy: -0.024 local terms energy: -49.923227 where: bonds (distance) C4'-P energy: -9.060 bonds (distance) P-C4' energy: -12.422 flat angles C4'-P-C4' energy: -12.028 flat angles P-C4'-P energy: -9.788 tors. eta vs tors. theta energy: -6.625 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: 8 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -83.905577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.905577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.905577 (E_RNA) where: Base-Base interactions energy: -33.862 where: short stacking energy: -30.716 Base-Backbone interact. energy: -0.061 local terms energy: -49.982849 where: bonds (distance) C4'-P energy: -11.928 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -11.518 flat angles P-C4'-P energy: -4.854 tors. eta vs tors. theta energy: -7.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -94.420923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.420923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.420923 (E_RNA) where: Base-Base interactions energy: -58.897 where: short stacking energy: -28.595 Base-Backbone interact. energy: -1.051 local terms energy: -34.473469 where: bonds (distance) C4'-P energy: -8.833 bonds (distance) P-C4' energy: -10.646 flat angles C4'-P-C4' energy: -10.250 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -1.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -70.932089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.932089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.932089 (E_RNA) where: Base-Base interactions energy: -21.627 where: short stacking energy: -21.627 Base-Backbone interact. energy: 0.428 local terms energy: -49.732640 where: bonds (distance) C4'-P energy: -12.069 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -12.645 flat angles P-C4'-P energy: -8.869 tors. eta vs tors. theta energy: -0.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -147.068161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.068161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.068161 (E_RNA) where: Base-Base interactions energy: -93.054 where: short stacking energy: -59.257 Base-Backbone interact. energy: -0.012 local terms energy: -54.001996 where: bonds (distance) C4'-P energy: -14.521 bonds (distance) P-C4' energy: -13.073 flat angles C4'-P-C4' energy: -7.445 flat angles P-C4'-P energy: -8.228 tors. eta vs tors. theta energy: -10.734 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: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -155.236668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.236668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.236668 (E_RNA) where: Base-Base interactions energy: -94.804 where: short stacking energy: -65.244 Base-Backbone interact. energy: -0.001 local terms energy: -60.432517 where: bonds (distance) C4'-P energy: -11.741 bonds (distance) P-C4' energy: -13.376 flat angles C4'-P-C4' energy: -13.315 flat angles P-C4'-P energy: -6.118 tors. eta vs tors. theta energy: -15.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -154.168362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.168362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.168362 (E_RNA) where: Base-Base interactions energy: -92.416 where: short stacking energy: -62.179 Base-Backbone interact. energy: -0.075 local terms energy: -61.676880 where: bonds (distance) C4'-P energy: -14.959 bonds (distance) P-C4' energy: -14.296 flat angles C4'-P-C4' energy: -13.720 flat angles P-C4'-P energy: -7.369 tors. eta vs tors. theta energy: -11.333 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: 4, replica: 1 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -129.377096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.377096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.377096 (E_RNA) where: Base-Base interactions energy: -72.488 where: short stacking energy: -47.174 Base-Backbone interact. energy: -0.008 local terms energy: -56.880828 where: bonds (distance) C4'-P energy: -12.091 bonds (distance) P-C4' energy: -12.711 flat angles C4'-P-C4' energy: -13.077 flat angles P-C4'-P energy: -10.121 tors. eta vs tors. theta energy: -8.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -141.952197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.952197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.952197 (E_RNA) where: Base-Base interactions energy: -83.609 where: short stacking energy: -48.702 Base-Backbone interact. energy: -0.331 local terms energy: -58.012859 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -11.848 flat angles C4'-P-C4' energy: -14.184 flat angles P-C4'-P energy: -9.562 tors. eta vs tors. theta energy: -8.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -85.833787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.833787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.833787 (E_RNA) where: Base-Base interactions energy: -41.912 where: short stacking energy: -40.512 Base-Backbone interact. energy: -0.023 local terms energy: -43.898968 where: bonds (distance) C4'-P energy: -11.448 bonds (distance) P-C4' energy: -6.175 flat angles C4'-P-C4' energy: -12.254 flat angles P-C4'-P energy: -6.568 tors. eta vs tors. theta energy: -7.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -93.151307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.151307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.151307 (E_RNA) where: Base-Base interactions energy: -42.109 where: short stacking energy: -41.994 Base-Backbone interact. energy: -0.433 local terms energy: -50.609423 where: bonds (distance) C4'-P energy: -13.117 bonds (distance) P-C4' energy: -13.016 flat angles C4'-P-C4' energy: -13.737 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: -5.212 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: 8 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -75.230022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.230022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.230022 (E_RNA) where: Base-Base interactions energy: -33.117 where: short stacking energy: -31.611 Base-Backbone interact. energy: -0.590 local terms energy: -41.523227 where: bonds (distance) C4'-P energy: -10.402 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -10.592 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -1.184 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: 5 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -67.660311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.660311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.660311 (E_RNA) where: Base-Base interactions energy: -33.569 where: short stacking energy: -32.391 Base-Backbone interact. energy: -0.387 local terms energy: -33.704441 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -11.934 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: 0.304 tors. eta vs tors. theta energy: -4.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -99.165562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.165562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.165562 (E_RNA) where: Base-Base interactions energy: -51.905 where: short stacking energy: -29.816 Base-Backbone interact. energy: -0.112 local terms energy: -47.148117 where: bonds (distance) C4'-P energy: -12.608 bonds (distance) P-C4' energy: -9.339 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -9.218 tors. eta vs tors. theta energy: -9.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -154.277124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.277124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.277124 (E_RNA) where: Base-Base interactions energy: -90.662 where: short stacking energy: -57.747 Base-Backbone interact. energy: -0.005 local terms energy: -63.609688 where: bonds (distance) C4'-P energy: -14.815 bonds (distance) P-C4' energy: -11.722 flat angles C4'-P-C4' energy: -13.862 flat angles P-C4'-P energy: -9.214 tors. eta vs tors. theta energy: -13.998 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: 75 Temperature: 0.950000 Total energy: -142.948606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.948606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.948606 (E_RNA) where: Base-Base interactions energy: -83.657 where: short stacking energy: -52.189 Base-Backbone interact. energy: -0.324 local terms energy: -58.967672 where: bonds (distance) C4'-P energy: -12.781 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -11.751 flat angles P-C4'-P energy: -7.322 tors. eta vs tors. theta energy: -12.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -159.325205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.325205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.325205 (E_RNA) where: Base-Base interactions energy: -93.005 where: short stacking energy: -59.495 Base-Backbone interact. energy: -0.045 local terms energy: -66.275106 where: bonds (distance) C4'-P energy: -12.516 bonds (distance) P-C4' energy: -14.025 flat angles C4'-P-C4' energy: -13.110 flat angles P-C4'-P energy: -10.551 tors. eta vs tors. theta energy: -16.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -128.990264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.990264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.990264 (E_RNA) where: Base-Base interactions energy: -75.326 where: short stacking energy: -48.505 Base-Backbone interact. energy: -0.706 local terms energy: -52.957488 where: bonds (distance) C4'-P energy: -12.070 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -14.341 flat angles P-C4'-P energy: -5.871 tors. eta vs tors. theta energy: -8.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -128.159326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.159326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.159326 (E_RNA) where: Base-Base interactions energy: -75.955 where: short stacking energy: -41.242 Base-Backbone interact. energy: -0.098 local terms energy: -52.106697 where: bonds (distance) C4'-P energy: -12.552 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -13.179 flat angles P-C4'-P energy: -5.996 tors. eta vs tors. theta energy: -6.808 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: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -92.044459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.044459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.044459 (E_RNA) where: Base-Base interactions energy: -48.093 where: short stacking energy: -47.492 Base-Backbone interact. energy: -0.001 local terms energy: -43.950900 where: bonds (distance) C4'-P energy: -11.801 bonds (distance) P-C4' energy: -7.485 flat angles C4'-P-C4' energy: -8.297 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -11.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -82.898106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.898106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.898106 (E_RNA) where: Base-Base interactions energy: -28.979 where: short stacking energy: -28.979 Base-Backbone interact. energy: -0.142 local terms energy: -53.777793 where: bonds (distance) C4'-P energy: -9.830 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -11.199 flat angles P-C4'-P energy: -6.932 tors. eta vs tors. theta energy: -10.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -82.096573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.096573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.096573 (E_RNA) where: Base-Base interactions energy: -35.578 where: short stacking energy: -31.932 Base-Backbone interact. energy: 0.005 local terms energy: -46.523602 where: bonds (distance) C4'-P energy: -8.840 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -10.093 flat angles P-C4'-P energy: -8.427 tors. eta vs tors. theta energy: -3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -82.759082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.759082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.759082 (E_RNA) where: Base-Base interactions energy: -32.389 where: short stacking energy: -32.389 Base-Backbone interact. energy: -0.034 local terms energy: -50.335281 where: bonds (distance) C4'-P energy: -12.338 bonds (distance) P-C4' energy: -9.803 flat angles C4'-P-C4' energy: -9.348 flat angles P-C4'-P energy: -10.415 tors. eta vs tors. theta energy: -8.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -66.139127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.139127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.139127 (E_RNA) where: Base-Base interactions energy: -28.825 where: short stacking energy: -13.930 Base-Backbone interact. energy: -0.193 local terms energy: -37.121364 where: bonds (distance) C4'-P energy: -12.657 bonds (distance) P-C4' energy: -12.778 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -6.390 tors. eta vs tors. theta energy: 2.726 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: 76 Temperature: 0.900000 Total energy: -159.488535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.488535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.488535 (E_RNA) where: Base-Base interactions energy: -100.996 where: short stacking energy: -65.719 Base-Backbone interact. energy: -0.000 local terms energy: -58.492347 where: bonds (distance) C4'-P energy: -9.768 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -9.811 flat angles P-C4'-P energy: -8.692 tors. eta vs tors. theta energy: -15.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -133.115431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.115431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.115431 (E_RNA) where: Base-Base interactions energy: -82.059 where: short stacking energy: -51.660 Base-Backbone interact. energy: -0.374 local terms energy: -50.681859 where: bonds (distance) C4'-P energy: -13.022 bonds (distance) P-C4' energy: -12.291 flat angles C4'-P-C4' energy: -9.145 flat angles P-C4'-P energy: -6.683 tors. eta vs tors. theta energy: -9.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -140.027642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.027642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.027642 (E_RNA) where: Base-Base interactions energy: -88.801 where: short stacking energy: -55.087 Base-Backbone interact. energy: -0.031 local terms energy: -51.196019 where: bonds (distance) C4'-P energy: -12.376 bonds (distance) P-C4' energy: -12.964 flat angles C4'-P-C4' energy: -10.094 flat angles P-C4'-P energy: -7.215 tors. eta vs tors. theta energy: -8.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -145.611322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.611322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.611322 (E_RNA) where: Base-Base interactions energy: -88.599 where: short stacking energy: -58.171 Base-Backbone interact. energy: -0.233 local terms energy: -56.778595 where: bonds (distance) C4'-P energy: -11.507 bonds (distance) P-C4' energy: -12.420 flat angles C4'-P-C4' energy: -9.782 flat angles P-C4'-P energy: -10.184 tors. eta vs tors. theta energy: -12.886 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: 10 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -132.685311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.685311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.685311 (E_RNA) where: Base-Base interactions energy: -76.453 where: short stacking energy: -48.156 Base-Backbone interact. energy: -0.062 local terms energy: -56.169823 where: bonds (distance) C4'-P energy: -12.371 bonds (distance) P-C4' energy: -14.271 flat angles C4'-P-C4' energy: -9.162 flat angles P-C4'-P energy: -8.762 tors. eta vs tors. theta energy: -11.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -103.380509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.380509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.380509 (E_RNA) where: Base-Base interactions energy: -48.079 where: short stacking energy: -46.848 Base-Backbone interact. energy: -0.001 local terms energy: -55.301070 where: bonds (distance) C4'-P energy: -11.340 bonds (distance) P-C4' energy: -12.061 flat angles C4'-P-C4' energy: -13.028 flat angles P-C4'-P energy: -8.251 tors. eta vs tors. theta energy: -10.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -100.923096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.923096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.923096 (E_RNA) where: Base-Base interactions energy: -43.779 where: short stacking energy: -43.779 Base-Backbone interact. energy: 0.658 local terms energy: -57.801892 where: bonds (distance) C4'-P energy: -10.247 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -14.227 flat angles P-C4'-P energy: -7.340 tors. eta vs tors. theta energy: -10.658 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: 7 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -86.849695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.849695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.849695 (E_RNA) where: Base-Base interactions energy: -43.640 where: short stacking energy: -27.180 Base-Backbone interact. energy: -0.485 local terms energy: -42.724667 where: bonds (distance) C4'-P energy: -11.660 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -4.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -72.390688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.390688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.390688 (E_RNA) where: Base-Base interactions energy: -25.363 where: short stacking energy: -23.952 Base-Backbone interact. energy: -0.129 local terms energy: -46.898522 where: bonds (distance) C4'-P energy: -9.892 bonds (distance) P-C4' energy: -13.745 flat angles C4'-P-C4' energy: -14.173 flat angles P-C4'-P energy: -8.581 tors. eta vs tors. theta energy: -0.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -87.417575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.417575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.417575 (E_RNA) where: Base-Base interactions energy: -34.864 where: short stacking energy: -34.864 Base-Backbone interact. energy: -0.176 local terms energy: -52.377251 where: bonds (distance) C4'-P energy: -15.101 bonds (distance) P-C4' energy: -10.393 flat angles C4'-P-C4' energy: -13.891 flat angles P-C4'-P energy: -9.691 tors. eta vs tors. theta energy: -3.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -159.970265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.970265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.970265 (E_RNA) where: Base-Base interactions energy: -92.470 where: short stacking energy: -59.398 Base-Backbone interact. energy: -0.079 local terms energy: -67.420507 where: bonds (distance) C4'-P energy: -11.953 bonds (distance) P-C4' energy: -13.096 flat angles C4'-P-C4' energy: -15.947 flat angles P-C4'-P energy: -11.919 tors. eta vs tors. theta energy: -14.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -151.924924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.924924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.924924 (E_RNA) where: Base-Base interactions energy: -89.661 where: short stacking energy: -60.063 Base-Backbone interact. energy: -0.086 local terms energy: -62.178412 where: bonds (distance) C4'-P energy: -14.923 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -12.102 flat angles P-C4'-P energy: -8.908 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: 3, replica: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -142.354492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.354492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.354492 (E_RNA) where: Base-Base interactions energy: -83.668 where: short stacking energy: -55.745 Base-Backbone interact. energy: -1.147 local terms energy: -57.539264 where: bonds (distance) C4'-P energy: -12.753 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -11.990 flat angles P-C4'-P energy: -11.036 tors. eta vs tors. theta energy: -13.331 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: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -140.619577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.619577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.619577 (E_RNA) where: Base-Base interactions energy: -83.670 where: short stacking energy: -52.611 Base-Backbone interact. energy: -0.027 local terms energy: -56.922617 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -10.727 flat angles C4'-P-C4' energy: -11.723 flat angles P-C4'-P energy: -9.315 tors. eta vs tors. theta energy: -11.532 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: 10 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -144.202127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.202127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.202127 (E_RNA) where: Base-Base interactions energy: -93.523 where: short stacking energy: -57.436 Base-Backbone interact. energy: -0.003 local terms energy: -50.676123 where: bonds (distance) C4'-P energy: -14.280 bonds (distance) P-C4' energy: -11.628 flat angles C4'-P-C4' energy: -9.347 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -10.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -116.964359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.964359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.964359 (E_RNA) where: Base-Base interactions energy: -68.925 where: short stacking energy: -35.918 Base-Backbone interact. energy: -0.378 local terms energy: -47.661026 where: bonds (distance) C4'-P energy: -9.175 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -9.538 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -4.948 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: 7, replica: 2 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -115.524447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.524447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.524447 (E_RNA) where: Base-Base interactions energy: -67.902 where: short stacking energy: -42.865 Base-Backbone interact. energy: -0.017 local terms energy: -47.605311 where: bonds (distance) C4'-P energy: -14.396 bonds (distance) P-C4' energy: -10.955 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -10.486 tors. eta vs tors. theta energy: -7.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -82.916839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.916839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.916839 (E_RNA) where: Base-Base interactions energy: -39.111 where: short stacking energy: -39.111 Base-Backbone interact. energy: 0.650 local terms energy: -44.455168 where: bonds (distance) C4'-P energy: -10.396 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -13.917 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -3.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -89.830998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.830998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.830998 (E_RNA) where: Base-Base interactions energy: -51.281 where: short stacking energy: -34.432 Base-Backbone interact. energy: -0.117 local terms energy: -38.433214 where: bonds (distance) C4'-P energy: -12.343 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -11.162 flat angles P-C4'-P energy: 0.527 tors. eta vs tors. theta energy: -2.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -87.507976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.507976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.507976 (E_RNA) where: Base-Base interactions energy: -41.836 where: short stacking energy: -41.836 Base-Backbone interact. energy: -0.089 local terms energy: -45.582423 where: bonds (distance) C4'-P energy: -8.472 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -9.613 flat angles P-C4'-P energy: -5.004 tors. eta vs tors. theta energy: -7.182 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: 6 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -161.427051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.427051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.427051 (E_RNA) where: Base-Base interactions energy: -93.369 where: short stacking energy: -59.543 Base-Backbone interact. energy: -0.000 local terms energy: -68.058190 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -14.402 flat angles P-C4'-P energy: -9.496 tors. eta vs tors. theta energy: -16.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -150.310957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.310957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.310957 (E_RNA) where: Base-Base interactions energy: -91.834 where: short stacking energy: -58.200 Base-Backbone interact. energy: -0.065 local terms energy: -58.411520 where: bonds (distance) C4'-P energy: -13.306 bonds (distance) P-C4' energy: -11.801 flat angles C4'-P-C4' energy: -12.740 flat angles P-C4'-P energy: -5.444 tors. eta vs tors. theta energy: -15.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -157.022795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.022795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.022795 (E_RNA) where: Base-Base interactions energy: -95.889 where: short stacking energy: -67.308 Base-Backbone interact. energy: -0.000 local terms energy: -61.133973 where: bonds (distance) C4'-P energy: -14.363 bonds (distance) P-C4' energy: -11.724 flat angles C4'-P-C4' energy: -12.127 flat angles P-C4'-P energy: -7.666 tors. eta vs tors. theta energy: -15.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -140.820569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.820569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.820569 (E_RNA) where: Base-Base interactions energy: -86.840 where: short stacking energy: -54.736 Base-Backbone interact. energy: -0.001 local terms energy: -53.979059 where: bonds (distance) C4'-P energy: -10.467 bonds (distance) P-C4' energy: -12.912 flat angles C4'-P-C4' energy: -12.838 flat angles P-C4'-P energy: -3.654 tors. eta vs tors. theta energy: -14.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -122.027898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.027898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.027898 (E_RNA) where: Base-Base interactions energy: -69.037 where: short stacking energy: -40.603 Base-Backbone interact. energy: -0.129 local terms energy: -52.861448 where: bonds (distance) C4'-P energy: -11.961 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -7.740 tors. eta vs tors. theta energy: -7.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -127.485184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.485184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.485184 (E_RNA) where: Base-Base interactions energy: -69.343 where: short stacking energy: -41.565 Base-Backbone interact. energy: -0.183 local terms energy: -57.959352 where: bonds (distance) C4'-P energy: -12.513 bonds (distance) P-C4' energy: -15.484 flat angles C4'-P-C4' energy: -12.689 flat angles P-C4'-P energy: -7.802 tors. eta vs tors. theta energy: -9.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -117.290779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.290779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.290779 (E_RNA) where: Base-Base interactions energy: -69.753 where: short stacking energy: -41.172 Base-Backbone interact. energy: -0.046 local terms energy: -47.491077 where: bonds (distance) C4'-P energy: -9.299 bonds (distance) P-C4' energy: -9.701 flat angles C4'-P-C4' energy: -11.212 flat angles P-C4'-P energy: -8.088 tors. eta vs tors. theta energy: -9.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -92.086246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.086246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.086246 (E_RNA) where: Base-Base interactions energy: -36.932 where: short stacking energy: -37.432 Base-Backbone interact. energy: -0.101 local terms energy: -55.053164 where: bonds (distance) C4'-P energy: -7.905 bonds (distance) P-C4' energy: -12.135 flat angles C4'-P-C4' energy: -14.830 flat angles P-C4'-P energy: -9.506 tors. eta vs tors. theta energy: -10.677 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: 8 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -75.714782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.714782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.714782 (E_RNA) where: Base-Base interactions energy: -25.417 where: short stacking energy: -25.417 Base-Backbone interact. energy: -0.001 local terms energy: -50.297066 where: bonds (distance) C4'-P energy: -10.844 bonds (distance) P-C4' energy: -13.511 flat angles C4'-P-C4' energy: -9.336 flat angles P-C4'-P energy: -8.456 tors. eta vs tors. theta energy: -8.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -76.865615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.865615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.865615 (E_RNA) where: Base-Base interactions energy: -33.950 where: short stacking energy: -33.950 Base-Backbone interact. energy: -0.093 local terms energy: -42.822239 where: bonds (distance) C4'-P energy: -11.333 bonds (distance) P-C4' energy: -12.792 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -10.740 tors. eta vs tors. theta energy: -2.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -161.607978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.607978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.607978 (E_RNA) where: Base-Base interactions energy: -95.771 where: short stacking energy: -63.885 Base-Backbone interact. energy: -0.002 local terms energy: -65.835168 where: bonds (distance) C4'-P energy: -14.040 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -15.257 flat angles P-C4'-P energy: -5.972 tors. eta vs tors. theta energy: -16.085 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: 2, replica: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -144.857478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.857478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.857478 (E_RNA) where: Base-Base interactions energy: -86.665 where: short stacking energy: -56.730 Base-Backbone interact. energy: -0.007 local terms energy: -58.185213 where: bonds (distance) C4'-P energy: -12.398 bonds (distance) P-C4' energy: -14.321 flat angles C4'-P-C4' energy: -8.510 flat angles P-C4'-P energy: -10.084 tors. eta vs tors. theta energy: -12.872 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: 1 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -149.664727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.664727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.664727 (E_RNA) where: Base-Base interactions energy: -92.588 where: short stacking energy: -52.697 Base-Backbone interact. energy: -0.005 local terms energy: -57.072021 where: bonds (distance) C4'-P energy: -12.947 bonds (distance) P-C4' energy: -12.912 flat angles C4'-P-C4' energy: -10.714 flat angles P-C4'-P energy: -6.318 tors. eta vs tors. theta energy: -14.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -144.263545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.263545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.263545 (E_RNA) where: Base-Base interactions energy: -88.442 where: short stacking energy: -55.258 Base-Backbone interact. energy: -0.001 local terms energy: -55.821067 where: bonds (distance) C4'-P energy: -14.446 bonds (distance) P-C4' energy: -9.957 flat angles C4'-P-C4' energy: -12.985 flat angles P-C4'-P energy: -6.927 tors. eta vs tors. theta energy: -11.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -134.901934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.901934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.901934 (E_RNA) where: Base-Base interactions energy: -76.997 where: short stacking energy: -44.876 Base-Backbone interact. energy: -0.151 local terms energy: -57.754524 where: bonds (distance) C4'-P energy: -14.608 bonds (distance) P-C4' energy: -16.246 flat angles C4'-P-C4' energy: -8.573 flat angles P-C4'-P energy: -6.639 tors. eta vs tors. theta energy: -11.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -122.136058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.136058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.136058 (E_RNA) where: Base-Base interactions energy: -71.543 where: short stacking energy: -39.930 Base-Backbone interact. energy: -0.302 local terms energy: -50.290895 where: bonds (distance) C4'-P energy: -12.396 bonds (distance) P-C4' energy: -11.514 flat angles C4'-P-C4' energy: -12.855 flat angles P-C4'-P energy: -8.189 tors. eta vs tors. theta energy: -5.337 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: 7, replica: 10 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -124.743489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.743489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.743489 (E_RNA) where: Base-Base interactions energy: -73.231 where: short stacking energy: -43.525 Base-Backbone interact. energy: -0.030 local terms energy: -51.481789 where: bonds (distance) C4'-P energy: -10.216 bonds (distance) P-C4' energy: -13.017 flat angles C4'-P-C4' energy: -11.986 flat angles P-C4'-P energy: -5.946 tors. eta vs tors. theta energy: -10.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -88.121610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.121610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.121610 (E_RNA) where: Base-Base interactions energy: -38.169 where: short stacking energy: -37.014 Base-Backbone interact. energy: -0.030 local terms energy: -49.921923 where: bonds (distance) C4'-P energy: -12.069 bonds (distance) P-C4' energy: -11.146 flat angles C4'-P-C4' energy: -12.557 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -9.269 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: 8 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -72.182723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.182723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.182723 (E_RNA) where: Base-Base interactions energy: -26.524 where: short stacking energy: -25.815 Base-Backbone interact. energy: 0.532 local terms energy: -46.190785 where: bonds (distance) C4'-P energy: -10.855 bonds (distance) P-C4' energy: -14.283 flat angles C4'-P-C4' energy: -12.618 flat angles P-C4'-P energy: -7.996 tors. eta vs tors. theta energy: -0.438 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: 7 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -65.622693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.622693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.622693 (E_RNA) where: Base-Base interactions energy: -22.033 where: short stacking energy: -22.033 Base-Backbone interact. energy: -0.137 local terms energy: -43.453079 where: bonds (distance) C4'-P energy: -8.654 bonds (distance) P-C4' energy: -13.931 flat angles C4'-P-C4' energy: -8.321 flat angles P-C4'-P energy: -10.461 tors. eta vs tors. theta energy: -2.086 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: 1, replica: 6 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -159.996496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.996496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.996496 (E_RNA) where: Base-Base interactions energy: -93.471 where: short stacking energy: -59.628 Base-Backbone interact. energy: 0.316 local terms energy: -66.841011 where: bonds (distance) C4'-P energy: -13.473 bonds (distance) P-C4' energy: -12.608 flat angles C4'-P-C4' energy: -13.248 flat angles P-C4'-P energy: -12.430 tors. eta vs tors. theta energy: -15.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -140.883778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.883778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.883778 (E_RNA) where: Base-Base interactions energy: -80.621 where: short stacking energy: -54.317 Base-Backbone interact. energy: -0.334 local terms energy: -59.929133 where: bonds (distance) C4'-P energy: -14.194 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -10.833 flat angles P-C4'-P energy: -9.698 tors. eta vs tors. theta energy: -11.700 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: 5 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -146.336665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.336665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.336665 (E_RNA) where: Base-Base interactions energy: -84.661 where: short stacking energy: -53.439 Base-Backbone interact. energy: -0.122 local terms energy: -61.553895 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -12.780 flat angles P-C4'-P energy: -10.136 tors. eta vs tors. theta energy: -11.204 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: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -150.611043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.611043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.611043 (E_RNA) where: Base-Base interactions energy: -87.725 where: short stacking energy: -56.760 Base-Backbone interact. energy: -0.049 local terms energy: -62.836779 where: bonds (distance) C4'-P energy: -13.153 bonds (distance) P-C4' energy: -12.992 flat angles C4'-P-C4' energy: -13.622 flat angles P-C4'-P energy: -9.305 tors. eta vs tors. theta energy: -13.764 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: 4 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -146.044128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.044128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.044128 (E_RNA) where: Base-Base interactions energy: -81.655 where: short stacking energy: -51.729 Base-Backbone interact. energy: -0.009 local terms energy: -64.380592 where: bonds (distance) C4'-P energy: -12.906 bonds (distance) P-C4' energy: -14.368 flat angles C4'-P-C4' energy: -15.007 flat angles P-C4'-P energy: -10.765 tors. eta vs tors. theta energy: -11.335 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: 2 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -122.321224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.321224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.321224 (E_RNA) where: Base-Base interactions energy: -69.048 where: short stacking energy: -43.973 Base-Backbone interact. energy: -0.681 local terms energy: -52.591703 where: bonds (distance) C4'-P energy: -11.945 bonds (distance) P-C4' energy: -11.532 flat angles C4'-P-C4' energy: -13.083 flat angles P-C4'-P energy: -9.455 tors. eta vs tors. theta energy: -6.577 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: 9 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -87.216239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.216239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.216239 (E_RNA) where: Base-Base interactions energy: -41.012 where: short stacking energy: -40.758 Base-Backbone interact. energy: -0.165 local terms energy: -46.040152 where: bonds (distance) C4'-P energy: -10.334 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -5.246 flat angles P-C4'-P energy: -12.379 tors. eta vs tors. theta energy: -5.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -126.889153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.889153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.889153 (E_RNA) where: Base-Base interactions energy: -72.962 where: short stacking energy: -41.542 Base-Backbone interact. energy: -0.132 local terms energy: -53.795007 where: bonds (distance) C4'-P energy: -12.521 bonds (distance) P-C4' energy: -13.385 flat angles C4'-P-C4' energy: -11.322 flat angles P-C4'-P energy: -9.891 tors. eta vs tors. theta energy: -6.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -70.179513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.179513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.179513 (E_RNA) where: Base-Base interactions energy: -23.009 where: short stacking energy: -23.009 Base-Backbone interact. energy: 0.609 local terms energy: -47.780148 where: bonds (distance) C4'-P energy: -12.288 bonds (distance) P-C4' energy: -12.671 flat angles C4'-P-C4' energy: -10.749 flat angles P-C4'-P energy: -10.549 tors. eta vs tors. theta energy: -1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -76.862240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.862240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.862240 (E_RNA) where: Base-Base interactions energy: -33.946 where: short stacking energy: -33.162 Base-Backbone interact. energy: -0.204 local terms energy: -42.712490 where: bonds (distance) C4'-P energy: -12.317 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -8.315 flat angles P-C4'-P energy: -11.324 tors. eta vs tors. theta energy: -2.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -150.194721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.194721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.194721 (E_RNA) where: Base-Base interactions energy: -91.852 where: short stacking energy: -58.339 Base-Backbone interact. energy: -0.019 local terms energy: -58.323426 where: bonds (distance) C4'-P energy: -12.857 bonds (distance) P-C4' energy: -10.895 flat angles C4'-P-C4' energy: -15.155 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: -11.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -157.379198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.379198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.379198 (E_RNA) where: Base-Base interactions energy: -92.065 where: short stacking energy: -55.488 Base-Backbone interact. energy: -0.003 local terms energy: -65.310840 where: bonds (distance) C4'-P energy: -10.882 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -14.499 flat angles P-C4'-P energy: -10.359 tors. eta vs tors. theta energy: -14.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -145.912213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.912213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.912213 (E_RNA) where: Base-Base interactions energy: -91.651 where: short stacking energy: -49.798 Base-Backbone interact. energy: -0.068 local terms energy: -54.194082 where: bonds (distance) C4'-P energy: -10.670 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -10.820 flat angles P-C4'-P energy: -8.846 tors. eta vs tors. theta energy: -9.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -148.957356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.957356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.957356 (E_RNA) where: Base-Base interactions energy: -87.198 where: short stacking energy: -55.755 Base-Backbone interact. energy: -0.300 local terms energy: -61.458758 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -11.972 flat angles C4'-P-C4' energy: -13.122 flat angles P-C4'-P energy: -10.046 tors. eta vs tors. theta energy: -12.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -136.663022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.663022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.663022 (E_RNA) where: Base-Base interactions energy: -88.099 where: short stacking energy: -52.546 Base-Backbone interact. energy: -0.038 local terms energy: -48.525835 where: bonds (distance) C4'-P energy: -9.827 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -6.500 tors. eta vs tors. theta energy: -11.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -127.882153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.882153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.882153 (E_RNA) where: Base-Base interactions energy: -81.530 where: short stacking energy: -46.599 Base-Backbone interact. energy: -0.171 local terms energy: -46.181175 where: bonds (distance) C4'-P energy: -12.203 bonds (distance) P-C4' energy: -11.968 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -4.232 tors. eta vs tors. theta energy: -9.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -90.368034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.368034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.368034 (E_RNA) where: Base-Base interactions energy: -41.324 where: short stacking energy: -41.324 Base-Backbone interact. energy: -0.006 local terms energy: -49.038163 where: bonds (distance) C4'-P energy: -11.759 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -11.110 flat angles P-C4'-P energy: -4.223 tors. eta vs tors. theta energy: -9.060 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: 7 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -81.559227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.559227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.559227 (E_RNA) where: Base-Base interactions energy: -34.617 where: short stacking energy: -32.664 Base-Backbone interact. energy: -0.117 local terms energy: -46.825553 where: bonds (distance) C4'-P energy: -14.164 bonds (distance) P-C4' energy: -10.594 flat angles C4'-P-C4' energy: -12.648 flat angles P-C4'-P energy: -9.719 tors. eta vs tors. theta energy: 0.300 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: 10 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -94.540805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.540805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.540805 (E_RNA) where: Base-Base interactions energy: -59.086 where: short stacking energy: -33.771 Base-Backbone interact. energy: -0.086 local terms energy: -35.368683 where: bonds (distance) C4'-P energy: -5.784 bonds (distance) P-C4' energy: -10.083 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -5.753 tors. eta vs tors. theta energy: -6.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -72.653054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.653054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.653054 (E_RNA) where: Base-Base interactions energy: -28.520 where: short stacking energy: -28.116 Base-Backbone interact. energy: -0.077 local terms energy: -44.056381 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -8.847 flat angles P-C4'-P energy: -10.259 tors. eta vs tors. theta energy: -2.654 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: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -171.151388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.151388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.151388 (E_RNA) where: Base-Base interactions energy: -99.913 where: short stacking energy: -65.736 Base-Backbone interact. energy: -0.264 local terms energy: -70.973922 where: bonds (distance) C4'-P energy: -14.264 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -12.797 flat angles P-C4'-P energy: -10.889 tors. eta vs tors. theta energy: -17.889 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: 6 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -151.753072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.753072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.753072 (E_RNA) where: Base-Base interactions energy: -89.650 where: short stacking energy: -55.970 Base-Backbone interact. energy: -0.374 local terms energy: -61.728241 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -12.568 flat angles C4'-P-C4' energy: -13.737 flat angles P-C4'-P energy: -9.436 tors. eta vs tors. theta energy: -13.375 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: 82 Temperature: 1.000000 Total energy: -154.310516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.310516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.310516 (E_RNA) where: Base-Base interactions energy: -89.135 where: short stacking energy: -56.948 Base-Backbone interact. energy: 0.203 local terms energy: -65.378957 where: bonds (distance) C4'-P energy: -14.806 bonds (distance) P-C4' energy: -12.365 flat angles C4'-P-C4' energy: -15.968 flat angles P-C4'-P energy: -8.562 tors. eta vs tors. theta energy: -13.678 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: 3 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -136.492494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.492494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.492494 (E_RNA) where: Base-Base interactions energy: -79.906 where: short stacking energy: -49.367 Base-Backbone interact. energy: -0.041 local terms energy: -56.545113 where: bonds (distance) C4'-P energy: -12.373 bonds (distance) P-C4' energy: -12.151 flat angles C4'-P-C4' energy: -14.517 flat angles P-C4'-P energy: -9.335 tors. eta vs tors. theta energy: -8.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -136.816555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.816555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.816555 (E_RNA) where: Base-Base interactions energy: -88.387 where: short stacking energy: -52.888 Base-Backbone interact. energy: -0.144 local terms energy: -48.285280 where: bonds (distance) C4'-P energy: -5.512 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -10.911 flat angles P-C4'-P energy: -4.897 tors. eta vs tors. theta energy: -11.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -118.742879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.742879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.742879 (E_RNA) where: Base-Base interactions energy: -66.625 where: short stacking energy: -43.730 Base-Backbone interact. energy: -0.164 local terms energy: -51.953456 where: bonds (distance) C4'-P energy: -9.112 bonds (distance) P-C4' energy: -13.389 flat angles C4'-P-C4' energy: -12.648 flat angles P-C4'-P energy: -8.359 tors. eta vs tors. theta energy: -8.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -82.657363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.657363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.657363 (E_RNA) where: Base-Base interactions energy: -39.747 where: short stacking energy: -34.321 Base-Backbone interact. energy: -0.106 local terms energy: -42.803659 where: bonds (distance) C4'-P energy: -13.200 bonds (distance) P-C4' energy: -10.216 flat angles C4'-P-C4' energy: -9.689 flat angles P-C4'-P energy: -5.476 tors. eta vs tors. theta energy: -4.223 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: 7 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -91.028774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.028774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.028774 (E_RNA) where: Base-Base interactions energy: -49.208 where: short stacking energy: -46.783 Base-Backbone interact. energy: 0.089 local terms energy: -41.909235 where: bonds (distance) C4'-P energy: -5.520 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -10.608 flat angles P-C4'-P energy: -1.796 tors. eta vs tors. theta energy: -9.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -78.490607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.490607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.490607 (E_RNA) where: Base-Base interactions energy: -36.822 where: short stacking energy: -36.822 Base-Backbone interact. energy: -1.188 local terms energy: -40.480355 where: bonds (distance) C4'-P energy: -8.112 bonds (distance) P-C4' energy: -10.214 flat angles C4'-P-C4' energy: -10.905 flat angles P-C4'-P energy: -5.672 tors. eta vs tors. theta energy: -5.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -73.353339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.353339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.353339 (E_RNA) where: Base-Base interactions energy: -27.144 where: short stacking energy: -27.144 Base-Backbone interact. energy: -0.142 local terms energy: -46.067261 where: bonds (distance) C4'-P energy: -11.075 bonds (distance) P-C4' energy: -11.843 flat angles C4'-P-C4' energy: -10.846 flat angles P-C4'-P energy: -8.861 tors. eta vs tors. theta energy: -3.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -163.820175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.820175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.820175 (E_RNA) where: Base-Base interactions energy: -100.018 where: short stacking energy: -58.328 Base-Backbone interact. energy: -0.031 local terms energy: -63.771133 where: bonds (distance) C4'-P energy: -12.235 bonds (distance) P-C4' energy: -14.434 flat angles C4'-P-C4' energy: -14.559 flat angles P-C4'-P energy: -8.364 tors. eta vs tors. theta energy: -14.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -162.929018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.929018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.929018 (E_RNA) where: Base-Base interactions energy: -96.495 where: short stacking energy: -65.980 Base-Backbone interact. energy: -0.008 local terms energy: -66.425741 where: bonds (distance) C4'-P energy: -13.986 bonds (distance) P-C4' energy: -10.140 flat angles C4'-P-C4' energy: -13.075 flat angles P-C4'-P energy: -10.287 tors. eta vs tors. theta energy: -18.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -133.140718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.140718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.140718 (E_RNA) where: Base-Base interactions energy: -76.250 where: short stacking energy: -41.193 Base-Backbone interact. energy: -0.004 local terms energy: -56.887258 where: bonds (distance) C4'-P energy: -14.290 bonds (distance) P-C4' energy: -14.164 flat angles C4'-P-C4' energy: -13.114 flat angles P-C4'-P energy: -6.788 tors. eta vs tors. theta energy: -8.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -130.071352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.071352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.071352 (E_RNA) where: Base-Base interactions energy: -71.466 where: short stacking energy: -49.737 Base-Backbone interact. energy: 0.082 local terms energy: -58.687787 where: bonds (distance) C4'-P energy: -12.699 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -13.021 flat angles P-C4'-P energy: -11.096 tors. eta vs tors. theta energy: -9.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -134.718677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.718677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.718677 (E_RNA) where: Base-Base interactions energy: -84.667 where: short stacking energy: -51.619 Base-Backbone interact. energy: -0.005 local terms energy: -50.045786 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -10.023 flat angles C4'-P-C4' energy: -9.083 flat angles P-C4'-P energy: -7.770 tors. eta vs tors. theta energy: -9.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -128.930072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.930072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.930072 (E_RNA) where: Base-Base interactions energy: -79.918 where: short stacking energy: -50.032 Base-Backbone interact. energy: -0.002 local terms energy: -49.010669 where: bonds (distance) C4'-P energy: -11.121 bonds (distance) P-C4' energy: -13.335 flat angles C4'-P-C4' energy: -8.324 flat angles P-C4'-P energy: -6.028 tors. eta vs tors. theta energy: -10.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -108.513653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.513653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.513653 (E_RNA) where: Base-Base interactions energy: -55.340 where: short stacking energy: -47.909 Base-Backbone interact. energy: -0.024 local terms energy: -53.149620 where: bonds (distance) C4'-P energy: -11.522 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -12.930 flat angles P-C4'-P energy: -8.190 tors. eta vs tors. theta energy: -11.617 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: 8, replica: 10 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -83.252062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.252062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.252062 (E_RNA) where: Base-Base interactions energy: -36.528 where: short stacking energy: -25.511 Base-Backbone interact. energy: -0.942 local terms energy: -45.781890 where: bonds (distance) C4'-P energy: -12.248 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -11.091 flat angles P-C4'-P energy: -9.554 tors. eta vs tors. theta energy: -4.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -84.000389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.000389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.000389 (E_RNA) where: Base-Base interactions energy: -37.527 where: short stacking energy: -34.665 Base-Backbone interact. energy: -1.107 local terms energy: -45.366616 where: bonds (distance) C4'-P energy: -10.555 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -11.713 flat angles P-C4'-P energy: -6.898 tors. eta vs tors. theta energy: -1.153 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: 8 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -81.376821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.376821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.376821 (E_RNA) where: Base-Base interactions energy: -40.470 where: short stacking energy: -28.782 Base-Backbone interact. energy: -0.056 local terms energy: -40.851253 where: bonds (distance) C4'-P energy: -10.427 bonds (distance) P-C4' energy: -10.847 flat angles C4'-P-C4' energy: -12.550 flat angles P-C4'-P energy: -6.063 tors. eta vs tors. theta energy: -0.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -165.927411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.927411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.927411 (E_RNA) where: Base-Base interactions energy: -94.109 where: short stacking energy: -63.688 Base-Backbone interact. energy: -0.001 local terms energy: -71.817520 where: bonds (distance) C4'-P energy: -14.781 bonds (distance) P-C4' energy: -15.252 flat angles C4'-P-C4' energy: -15.312 flat angles P-C4'-P energy: -10.156 tors. eta vs tors. theta energy: -16.316 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: 5 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -164.709644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.709644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.709644 (E_RNA) where: Base-Base interactions energy: -100.053 where: short stacking energy: -57.514 Base-Backbone interact. energy: 1.299 local terms energy: -65.955734 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -15.683 flat angles P-C4'-P energy: -8.922 tors. eta vs tors. theta energy: -13.377 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: 3, replica: 6 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -147.566497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.566497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.566497 (E_RNA) where: Base-Base interactions energy: -83.984 where: short stacking energy: -48.882 Base-Backbone interact. energy: -0.001 local terms energy: -63.581146 where: bonds (distance) C4'-P energy: -13.151 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -15.003 flat angles P-C4'-P energy: -11.764 tors. eta vs tors. theta energy: -10.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -136.530688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.530688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.530688 (E_RNA) where: Base-Base interactions energy: -85.075 where: short stacking energy: -49.161 Base-Backbone interact. energy: 0.513 local terms energy: -51.968504 where: bonds (distance) C4'-P energy: -11.731 bonds (distance) P-C4' energy: -14.207 flat angles C4'-P-C4' energy: -12.056 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -8.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -136.348545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.348545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.348545 (E_RNA) where: Base-Base interactions energy: -82.814 where: short stacking energy: -49.024 Base-Backbone interact. energy: -0.012 local terms energy: -53.522240 where: bonds (distance) C4'-P energy: -12.409 bonds (distance) P-C4' energy: -13.275 flat angles C4'-P-C4' energy: -12.682 flat angles P-C4'-P energy: -7.824 tors. eta vs tors. theta energy: -7.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -136.503887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.503887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.503887 (E_RNA) where: Base-Base interactions energy: -76.933 where: short stacking energy: -50.130 Base-Backbone interact. energy: -0.001 local terms energy: -59.570250 where: bonds (distance) C4'-P energy: -13.780 bonds (distance) P-C4' energy: -13.358 flat angles C4'-P-C4' energy: -10.145 flat angles P-C4'-P energy: -9.389 tors. eta vs tors. theta energy: -12.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -87.313678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.313678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.313678 (E_RNA) where: Base-Base interactions energy: -35.681 where: short stacking energy: -34.927 Base-Backbone interact. energy: -0.105 local terms energy: -51.527614 where: bonds (distance) C4'-P energy: -13.738 bonds (distance) P-C4' energy: -13.540 flat angles C4'-P-C4' energy: -10.005 flat angles P-C4'-P energy: -9.359 tors. eta vs tors. theta energy: -4.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -91.571504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.571504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.571504 (E_RNA) where: Base-Base interactions energy: -39.474 where: short stacking energy: -39.474 Base-Backbone interact. energy: -0.026 local terms energy: -52.071063 where: bonds (distance) C4'-P energy: -12.334 bonds (distance) P-C4' energy: -14.768 flat angles C4'-P-C4' energy: -10.323 flat angles P-C4'-P energy: -6.904 tors. eta vs tors. theta energy: -7.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -81.001733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.001733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.001733 (E_RNA) where: Base-Base interactions energy: -34.403 where: short stacking energy: -32.994 Base-Backbone interact. energy: -0.659 local terms energy: -45.939315 where: bonds (distance) C4'-P energy: -9.100 bonds (distance) P-C4' energy: -10.761 flat angles C4'-P-C4' energy: -10.763 flat angles P-C4'-P energy: -9.592 tors. eta vs tors. theta energy: -5.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -62.688052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.688052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.688052 (E_RNA) where: Base-Base interactions energy: -21.154 where: short stacking energy: -20.089 Base-Backbone interact. energy: -0.353 local terms energy: -41.181559 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -13.808 flat angles C4'-P-C4' energy: -12.173 flat angles P-C4'-P energy: -8.776 tors. eta vs tors. theta energy: 0.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -166.395867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.395867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.395867 (E_RNA) where: Base-Base interactions energy: -95.899 where: short stacking energy: -64.333 Base-Backbone interact. energy: -0.268 local terms energy: -70.228396 where: bonds (distance) C4'-P energy: -14.094 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -14.050 flat angles P-C4'-P energy: -11.651 tors. eta vs tors. theta energy: -16.646 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: 6 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -151.625253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.625253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.625253 (E_RNA) where: Base-Base interactions energy: -91.606 where: short stacking energy: -56.545 Base-Backbone interact. energy: -0.029 local terms energy: -59.989979 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -11.204 flat angles P-C4'-P energy: -10.763 tors. eta vs tors. theta energy: -10.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -150.424569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.424569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.424569 (E_RNA) where: Base-Base interactions energy: -88.858 where: short stacking energy: -58.496 Base-Backbone interact. energy: -0.000 local terms energy: -61.566117 where: bonds (distance) C4'-P energy: -15.481 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -10.725 flat angles P-C4'-P energy: -6.415 tors. eta vs tors. theta energy: -14.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -139.906061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.906061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.906061 (E_RNA) where: Base-Base interactions energy: -79.588 where: short stacking energy: -44.280 Base-Backbone interact. energy: -0.409 local terms energy: -59.909038 where: bonds (distance) C4'-P energy: -11.126 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -12.126 flat angles P-C4'-P energy: -10.665 tors. eta vs tors. theta energy: -11.012 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: 3 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -122.267635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.267635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.267635 (E_RNA) where: Base-Base interactions energy: -72.135 where: short stacking energy: -41.782 Base-Backbone interact. energy: -0.632 local terms energy: -49.500644 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -14.215 flat angles C4'-P-C4' energy: -9.710 flat angles P-C4'-P energy: -5.766 tors. eta vs tors. theta energy: -6.782 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: 6, replica: 4 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -119.784526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.784526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.784526 (E_RNA) where: Base-Base interactions energy: -69.532 where: short stacking energy: -41.270 Base-Backbone interact. energy: 0.157 local terms energy: -50.410103 where: bonds (distance) C4'-P energy: -7.150 bonds (distance) P-C4' energy: -12.408 flat angles C4'-P-C4' energy: -14.907 flat angles P-C4'-P energy: -9.534 tors. eta vs tors. theta energy: -6.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -91.552342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.552342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.552342 (E_RNA) where: Base-Base interactions energy: -46.543 where: short stacking energy: -36.567 Base-Backbone interact. energy: -0.240 local terms energy: -44.769044 where: bonds (distance) C4'-P energy: -10.411 bonds (distance) P-C4' energy: -12.575 flat angles C4'-P-C4' energy: -11.514 flat angles P-C4'-P energy: -8.024 tors. eta vs tors. theta energy: -2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -89.603097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.603097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.603097 (E_RNA) where: Base-Base interactions energy: -43.706 where: short stacking energy: -31.630 Base-Backbone interact. energy: -0.181 local terms energy: -45.716156 where: bonds (distance) C4'-P energy: -13.282 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -12.474 flat angles P-C4'-P energy: -5.643 tors. eta vs tors. theta energy: -3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -79.572754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.572754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.572754 (E_RNA) where: Base-Base interactions energy: -37.871 where: short stacking energy: -36.459 Base-Backbone interact. energy: 1.436 local terms energy: -43.138113 where: bonds (distance) C4'-P energy: -10.588 bonds (distance) P-C4' energy: -13.468 flat angles C4'-P-C4' energy: -11.267 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -4.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -77.557031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.557031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.557031 (E_RNA) where: Base-Base interactions energy: -31.928 where: short stacking energy: -28.017 Base-Backbone interact. energy: -0.087 local terms energy: -45.541769 where: bonds (distance) C4'-P energy: -13.345 bonds (distance) P-C4' energy: -10.986 flat angles C4'-P-C4' energy: -11.846 flat angles P-C4'-P energy: -9.431 tors. eta vs tors. theta energy: 0.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -154.617271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.617271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.617271 (E_RNA) where: Base-Base interactions energy: -91.964 where: short stacking energy: -61.050 Base-Backbone interact. energy: 1.253 local terms energy: -63.906331 where: bonds (distance) C4'-P energy: -11.866 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -11.545 flat angles P-C4'-P energy: -11.274 tors. eta vs tors. theta energy: -14.332 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: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -150.327391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.327391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.327391 (E_RNA) where: Base-Base interactions energy: -88.562 where: short stacking energy: -55.095 Base-Backbone interact. energy: -0.105 local terms energy: -61.660105 where: bonds (distance) C4'-P energy: -13.299 bonds (distance) P-C4' energy: -14.386 flat angles C4'-P-C4' energy: -12.607 flat angles P-C4'-P energy: -7.020 tors. eta vs tors. theta energy: -14.348 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: 5 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -152.046536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.046536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.046536 (E_RNA) where: Base-Base interactions energy: -100.524 where: short stacking energy: -65.185 Base-Backbone interact. energy: -0.031 local terms energy: -51.491846 where: bonds (distance) C4'-P energy: -9.184 bonds (distance) P-C4' energy: -8.528 flat angles C4'-P-C4' energy: -12.629 flat angles P-C4'-P energy: -4.931 tors. eta vs tors. theta energy: -16.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -137.385769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.385769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.385769 (E_RNA) where: Base-Base interactions energy: -79.096 where: short stacking energy: -53.025 Base-Backbone interact. energy: -0.635 local terms energy: -57.654800 where: bonds (distance) C4'-P energy: -10.604 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -13.856 flat angles P-C4'-P energy: -6.306 tors. eta vs tors. theta energy: -14.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -130.920109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.920109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.920109 (E_RNA) where: Base-Base interactions energy: -77.018 where: short stacking energy: -49.524 Base-Backbone interact. energy: -0.297 local terms energy: -53.605633 where: bonds (distance) C4'-P energy: -11.883 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -13.981 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -9.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -124.752811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.752811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.752811 (E_RNA) where: Base-Base interactions energy: -75.501 where: short stacking energy: -49.332 Base-Backbone interact. energy: -0.006 local terms energy: -49.246471 where: bonds (distance) C4'-P energy: -10.608 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -7.273 flat angles P-C4'-P energy: -6.855 tors. eta vs tors. theta energy: -11.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -101.914340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.914340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.914340 (E_RNA) where: Base-Base interactions energy: -53.582 where: short stacking energy: -45.802 Base-Backbone interact. energy: -0.003 local terms energy: -48.329979 where: bonds (distance) C4'-P energy: -12.479 bonds (distance) P-C4' energy: -12.093 flat angles C4'-P-C4' energy: -10.194 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -8.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -80.834752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.834752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.834752 (E_RNA) where: Base-Base interactions energy: -34.414 where: short stacking energy: -33.702 Base-Backbone interact. energy: -0.008 local terms energy: -46.412435 where: bonds (distance) C4'-P energy: -10.733 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -10.960 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -79.951517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.951517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.951517 (E_RNA) where: Base-Base interactions energy: -29.034 where: short stacking energy: -24.064 Base-Backbone interact. energy: -0.223 local terms energy: -50.694819 where: bonds (distance) C4'-P energy: -11.457 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -11.335 flat angles P-C4'-P energy: -9.705 tors. eta vs tors. theta energy: -2.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -85.627886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.627886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.627886 (E_RNA) where: Base-Base interactions energy: -41.751 where: short stacking energy: -30.552 Base-Backbone interact. energy: -0.029 local terms energy: -43.847405 where: bonds (distance) C4'-P energy: -14.706 bonds (distance) P-C4' energy: -10.219 flat angles C4'-P-C4' energy: -8.428 flat angles P-C4'-P energy: -6.869 tors. eta vs tors. theta energy: -3.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -154.644424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.644424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.644424 (E_RNA) where: Base-Base interactions energy: -93.344 where: short stacking energy: -58.066 Base-Backbone interact. energy: -0.001 local terms energy: -61.299329 where: bonds (distance) C4'-P energy: -10.471 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -12.421 flat angles P-C4'-P energy: -8.409 tors. eta vs tors. theta energy: -16.076 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: 5 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -146.202189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.202189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.202189 (E_RNA) where: Base-Base interactions energy: -84.508 where: short stacking energy: -50.007 Base-Backbone interact. energy: -0.004 local terms energy: -61.690354 where: bonds (distance) C4'-P energy: -10.446 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -12.142 flat angles P-C4'-P energy: -8.093 tors. eta vs tors. theta energy: -15.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -147.082032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.082032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.082032 (E_RNA) where: Base-Base interactions energy: -90.444 where: short stacking energy: -60.716 Base-Backbone interact. energy: -0.003 local terms energy: -56.635710 where: bonds (distance) C4'-P energy: -9.350 bonds (distance) P-C4' energy: -13.333 flat angles C4'-P-C4' energy: -12.480 flat angles P-C4'-P energy: -5.476 tors. eta vs tors. theta energy: -15.998 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: 2 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -144.246945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.246945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.246945 (E_RNA) where: Base-Base interactions energy: -83.529 where: short stacking energy: -52.006 Base-Backbone interact. energy: -0.167 local terms energy: -60.550330 where: bonds (distance) C4'-P energy: -10.679 bonds (distance) P-C4' energy: -11.872 flat angles C4'-P-C4' energy: -14.947 flat angles P-C4'-P energy: -9.051 tors. eta vs tors. theta energy: -14.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -124.114141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.114141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.114141 (E_RNA) where: Base-Base interactions energy: -66.681 where: short stacking energy: -42.269 Base-Backbone interact. energy: -0.017 local terms energy: -57.416269 where: bonds (distance) C4'-P energy: -12.665 bonds (distance) P-C4' energy: -14.223 flat angles C4'-P-C4' energy: -11.491 flat angles P-C4'-P energy: -9.336 tors. eta vs tors. theta energy: -9.702 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: 6, replica: 10 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -104.127825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.127825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.127825 (E_RNA) where: Base-Base interactions energy: -45.627 where: short stacking energy: -43.163 Base-Backbone interact. energy: -0.041 local terms energy: -58.459877 where: bonds (distance) C4'-P energy: -11.809 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -10.535 flat angles P-C4'-P energy: -8.588 tors. eta vs tors. theta energy: -11.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -119.858187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.858187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.858187 (E_RNA) where: Base-Base interactions energy: -74.878 where: short stacking energy: -44.874 Base-Backbone interact. energy: 1.299 local terms energy: -46.279358 where: bonds (distance) C4'-P energy: -11.251 bonds (distance) P-C4' energy: -5.455 flat angles C4'-P-C4' energy: -13.153 flat angles P-C4'-P energy: -9.112 tors. eta vs tors. theta energy: -7.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -82.846044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.846044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.846044 (E_RNA) where: Base-Base interactions energy: -37.701 where: short stacking energy: -26.913 Base-Backbone interact. energy: -0.056 local terms energy: -45.088845 where: bonds (distance) C4'-P energy: -11.589 bonds (distance) P-C4' energy: -11.818 flat angles C4'-P-C4' energy: -11.934 flat angles P-C4'-P energy: -6.259 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -98.652114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.652114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.652114 (E_RNA) where: Base-Base interactions energy: -54.722 where: short stacking energy: -34.594 Base-Backbone interact. energy: 0.139 local terms energy: -44.068916 where: bonds (distance) C4'-P energy: -12.443 bonds (distance) P-C4' energy: -14.192 flat angles C4'-P-C4' energy: -8.881 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -3.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -75.448072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.448072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.448072 (E_RNA) where: Base-Base interactions energy: -37.198 where: short stacking energy: -16.665 Base-Backbone interact. energy: -0.377 local terms energy: -37.873077 where: bonds (distance) C4'-P energy: -11.325 bonds (distance) P-C4' energy: -12.017 flat angles C4'-P-C4' energy: -7.858 flat angles P-C4'-P energy: -8.797 tors. eta vs tors. theta energy: 2.124 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: 6 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -151.150949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.150949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.150949 (E_RNA) where: Base-Base interactions energy: -89.971 where: short stacking energy: -57.554 Base-Backbone interact. energy: -0.143 local terms energy: -61.036964 where: bonds (distance) C4'-P energy: -11.847 bonds (distance) P-C4' energy: -12.970 flat angles C4'-P-C4' energy: -13.380 flat angles P-C4'-P energy: -7.140 tors. eta vs tors. theta energy: -15.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -162.060103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.060103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.060103 (E_RNA) where: Base-Base interactions energy: -93.735 where: short stacking energy: -55.846 Base-Backbone interact. energy: -0.486 local terms energy: -67.838961 where: bonds (distance) C4'-P energy: -10.177 bonds (distance) P-C4' energy: -14.265 flat angles C4'-P-C4' energy: -14.419 flat angles P-C4'-P energy: -12.335 tors. eta vs tors. theta energy: -16.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -138.894420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.894420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.894420 (E_RNA) where: Base-Base interactions energy: -83.760 where: short stacking energy: -48.296 Base-Backbone interact. energy: -0.085 local terms energy: -55.048781 where: bonds (distance) C4'-P energy: -12.529 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -11.213 flat angles P-C4'-P energy: -9.149 tors. eta vs tors. theta energy: -7.537 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: 88 Temperature: 1.050000 Total energy: -135.131126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.131126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.131126 (E_RNA) where: Base-Base interactions energy: -79.814 where: short stacking energy: -46.642 Base-Backbone interact. energy: -0.004 local terms energy: -55.312928 where: bonds (distance) C4'-P energy: -11.199 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -10.571 flat angles P-C4'-P energy: -10.852 tors. eta vs tors. theta energy: -8.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -123.452170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.452170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.452170 (E_RNA) where: Base-Base interactions energy: -67.253 where: short stacking energy: -40.451 Base-Backbone interact. energy: -0.066 local terms energy: -56.132622 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -10.501 flat angles P-C4'-P energy: -10.139 tors. eta vs tors. theta energy: -7.253 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: 10 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -96.688250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.688250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.688250 (E_RNA) where: Base-Base interactions energy: -47.502 where: short stacking energy: -36.913 Base-Backbone interact. energy: -0.231 local terms energy: -48.954459 where: bonds (distance) C4'-P energy: -9.950 bonds (distance) P-C4' energy: -12.088 flat angles C4'-P-C4' energy: -13.561 flat angles P-C4'-P energy: -9.415 tors. eta vs tors. theta energy: -3.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -121.622426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.622426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.622426 (E_RNA) where: Base-Base interactions energy: -73.926 where: short stacking energy: -41.284 Base-Backbone interact. energy: -0.089 local terms energy: -47.607128 where: bonds (distance) C4'-P energy: -10.713 bonds (distance) P-C4' energy: -9.209 flat angles C4'-P-C4' energy: -14.806 flat angles P-C4'-P energy: -2.434 tors. eta vs tors. theta energy: -10.445 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: 88 Temperature: 1.250000 Total energy: -83.429607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.429607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.429607 (E_RNA) where: Base-Base interactions energy: -46.174 where: short stacking energy: -22.761 Base-Backbone interact. energy: -0.122 local terms energy: -37.133347 where: bonds (distance) C4'-P energy: -11.202 bonds (distance) P-C4' energy: -11.076 flat angles C4'-P-C4' energy: -13.243 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: 1.207 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: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -113.833688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.833688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.833688 (E_RNA) where: Base-Base interactions energy: -67.384 where: short stacking energy: -40.614 Base-Backbone interact. energy: 1.599 local terms energy: -48.048821 where: bonds (distance) C4'-P energy: -9.913 bonds (distance) P-C4' energy: -12.203 flat angles C4'-P-C4' energy: -13.801 flat angles P-C4'-P energy: -7.294 tors. eta vs tors. theta energy: -4.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -70.407131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.407131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.407131 (E_RNA) where: Base-Base interactions energy: -31.398 where: short stacking energy: -30.222 Base-Backbone interact. energy: -0.248 local terms energy: -38.760542 where: bonds (distance) C4'-P energy: -8.141 bonds (distance) P-C4' energy: -9.386 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -10.687 tors. eta vs tors. theta energy: -4.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -156.216670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.216670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.216670 (E_RNA) where: Base-Base interactions energy: -95.993 where: short stacking energy: -56.431 Base-Backbone interact. energy: -0.152 local terms energy: -60.070838 where: bonds (distance) C4'-P energy: -14.509 bonds (distance) P-C4' energy: -11.005 flat angles C4'-P-C4' energy: -13.650 flat angles P-C4'-P energy: -8.378 tors. eta vs tors. theta energy: -12.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -152.640911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.640911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.640911 (E_RNA) where: Base-Base interactions energy: -81.256 where: short stacking energy: -53.306 Base-Backbone interact. energy: -0.589 local terms energy: -70.796040 where: bonds (distance) C4'-P energy: -15.171 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -12.749 flat angles P-C4'-P energy: -12.531 tors. eta vs tors. theta energy: -14.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -156.921533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.921533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.921533 (E_RNA) where: Base-Base interactions energy: -99.090 where: short stacking energy: -54.394 Base-Backbone interact. energy: -0.688 local terms energy: -57.143518 where: bonds (distance) C4'-P energy: -14.438 bonds (distance) P-C4' energy: -9.836 flat angles C4'-P-C4' energy: -13.867 flat angles P-C4'-P energy: -3.741 tors. eta vs tors. theta energy: -15.261 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: 4, replica: 3 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -136.726140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.726140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.726140 (E_RNA) where: Base-Base interactions energy: -81.350 where: short stacking energy: -49.352 Base-Backbone interact. energy: -0.031 local terms energy: -55.345875 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -9.435 flat angles C4'-P-C4' energy: -12.645 flat angles P-C4'-P energy: -7.963 tors. eta vs tors. theta energy: -11.785 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: 89 Temperature: 1.100000 Total energy: -127.767131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.767131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.767131 (E_RNA) where: Base-Base interactions energy: -73.236 where: short stacking energy: -44.734 Base-Backbone interact. energy: -0.017 local terms energy: -54.513701 where: bonds (distance) C4'-P energy: -10.781 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -10.717 flat angles P-C4'-P energy: -11.623 tors. eta vs tors. theta energy: -6.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -124.716604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.716604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.716604 (E_RNA) where: Base-Base interactions energy: -69.431 where: short stacking energy: -35.856 Base-Backbone interact. energy: -0.113 local terms energy: -55.172887 where: bonds (distance) C4'-P energy: -11.874 bonds (distance) P-C4' energy: -15.272 flat angles C4'-P-C4' energy: -12.890 flat angles P-C4'-P energy: -7.002 tors. eta vs tors. theta energy: -8.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -80.040460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.040460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.040460 (E_RNA) where: Base-Base interactions energy: -29.045 where: short stacking energy: -27.192 Base-Backbone interact. energy: -0.070 local terms energy: -50.925788 where: bonds (distance) C4'-P energy: -11.394 bonds (distance) P-C4' energy: -13.495 flat angles C4'-P-C4' energy: -12.386 flat angles P-C4'-P energy: -6.397 tors. eta vs tors. theta energy: -7.254 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: 9 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -80.438996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.438996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.438996 (E_RNA) where: Base-Base interactions energy: -36.602 where: short stacking energy: -36.602 Base-Backbone interact. energy: -0.138 local terms energy: -43.699381 where: bonds (distance) C4'-P energy: -8.090 bonds (distance) P-C4' energy: -12.697 flat angles C4'-P-C4' energy: -12.000 flat angles P-C4'-P energy: -8.252 tors. eta vs tors. theta energy: -2.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -74.873904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.873904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.873904 (E_RNA) where: Base-Base interactions energy: -30.778 where: short stacking energy: -28.443 Base-Backbone interact. energy: -0.255 local terms energy: -43.840606 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -14.343 flat angles C4'-P-C4' energy: -9.828 flat angles P-C4'-P energy: -6.763 tors. eta vs tors. theta energy: -3.413 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: 7 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -67.363468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.363468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.363468 (E_RNA) where: Base-Base interactions energy: -22.576 where: short stacking energy: -22.576 Base-Backbone interact. energy: -0.149 local terms energy: -44.639185 where: bonds (distance) C4'-P energy: -11.195 bonds (distance) P-C4' energy: -15.185 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -9.335 tors. eta vs tors. theta energy: -1.950 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: 1, replica: 6 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -175.571019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.571019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.571019 (E_RNA) where: Base-Base interactions energy: -109.783 where: short stacking energy: -66.753 Base-Backbone interact. energy: -0.267 local terms energy: -65.521203 where: bonds (distance) C4'-P energy: -12.753 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -12.530 flat angles P-C4'-P energy: -10.146 tors. eta vs tors. theta energy: -17.206 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: 2 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -151.723759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.723759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.723759 (E_RNA) where: Base-Base interactions energy: -89.787 where: short stacking energy: -59.494 Base-Backbone interact. energy: -0.760 local terms energy: -61.176853 where: bonds (distance) C4'-P energy: -11.991 bonds (distance) P-C4' energy: -13.389 flat angles C4'-P-C4' energy: -14.919 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -11.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -153.251510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.251510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.251510 (E_RNA) where: Base-Base interactions energy: -93.165 where: short stacking energy: -57.054 Base-Backbone interact. energy: -0.565 local terms energy: -59.521441 where: bonds (distance) C4'-P energy: -14.661 bonds (distance) P-C4' energy: -12.427 flat angles C4'-P-C4' energy: -12.498 flat angles P-C4'-P energy: -5.476 tors. eta vs tors. theta energy: -14.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -153.594270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.594270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.594270 (E_RNA) where: Base-Base interactions energy: -91.238 where: short stacking energy: -63.378 Base-Backbone interact. energy: -0.001 local terms energy: -62.355878 where: bonds (distance) C4'-P energy: -14.189 bonds (distance) P-C4' energy: -12.712 flat angles C4'-P-C4' energy: -13.526 flat angles P-C4'-P energy: -9.039 tors. eta vs tors. theta energy: -12.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -136.946911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.946911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.946911 (E_RNA) where: Base-Base interactions energy: -80.762 where: short stacking energy: -43.161 Base-Backbone interact. energy: 0.617 local terms energy: -56.801818 where: bonds (distance) C4'-P energy: -11.139 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -13.517 flat angles P-C4'-P energy: -8.441 tors. eta vs tors. theta energy: -9.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -124.300877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.300877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.300877 (E_RNA) where: Base-Base interactions energy: -76.406 where: short stacking energy: -34.304 Base-Backbone interact. energy: -0.213 local terms energy: -47.681649 where: bonds (distance) C4'-P energy: -14.574 bonds (distance) P-C4' energy: -8.878 flat angles C4'-P-C4' energy: -11.525 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -7.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -89.137602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.137602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.137602 (E_RNA) where: Base-Base interactions energy: -42.814 where: short stacking energy: -37.509 Base-Backbone interact. energy: -0.110 local terms energy: -46.213618 where: bonds (distance) C4'-P energy: -10.376 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -9.784 flat angles P-C4'-P energy: -7.898 tors. eta vs tors. theta energy: -3.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -80.830418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.830418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.830418 (E_RNA) where: Base-Base interactions energy: -30.523 where: short stacking energy: -30.523 Base-Backbone interact. energy: -0.189 local terms energy: -50.118049 where: bonds (distance) C4'-P energy: -13.096 bonds (distance) P-C4' energy: -11.016 flat angles C4'-P-C4' energy: -14.809 flat angles P-C4'-P energy: -8.845 tors. eta vs tors. theta energy: -2.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -78.089406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.089406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.089406 (E_RNA) where: Base-Base interactions energy: -40.413 where: short stacking energy: -29.921 Base-Backbone interact. energy: 1.545 local terms energy: -39.221345 where: bonds (distance) C4'-P energy: -14.504 bonds (distance) P-C4' energy: -10.316 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -10.343 tors. eta vs tors. theta energy: 1.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -71.013363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.013363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.013363 (E_RNA) where: Base-Base interactions energy: -25.975 where: short stacking energy: -22.524 Base-Backbone interact. energy: -1.320 local terms energy: -43.718247 where: bonds (distance) C4'-P energy: -14.359 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -8.889 flat angles P-C4'-P energy: -7.460 tors. eta vs tors. theta energy: -4.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -164.616335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.616335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.616335 (E_RNA) where: Base-Base interactions energy: -99.259 where: short stacking energy: -54.413 Base-Backbone interact. energy: -0.585 local terms energy: -64.771524 where: bonds (distance) C4'-P energy: -14.342 bonds (distance) P-C4' energy: -13.276 flat angles C4'-P-C4' energy: -13.579 flat angles P-C4'-P energy: -9.393 tors. eta vs tors. theta energy: -14.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -156.621026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.621026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.621026 (E_RNA) where: Base-Base interactions energy: -93.135 where: short stacking energy: -52.415 Base-Backbone interact. energy: -0.005 local terms energy: -63.480987 where: bonds (distance) C4'-P energy: -10.329 bonds (distance) P-C4' energy: -16.238 flat angles C4'-P-C4' energy: -12.104 flat angles P-C4'-P energy: -9.772 tors. eta vs tors. theta energy: -15.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -151.969364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.969364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.969364 (E_RNA) where: Base-Base interactions energy: -92.678 where: short stacking energy: -57.114 Base-Backbone interact. energy: 0.505 local terms energy: -59.796584 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -14.116 flat angles C4'-P-C4' energy: -13.930 flat angles P-C4'-P energy: -8.028 tors. eta vs tors. theta energy: -12.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -145.707895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.707895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.707895 (E_RNA) where: Base-Base interactions energy: -90.770 where: short stacking energy: -49.883 Base-Backbone interact. energy: 0.045 local terms energy: -54.982782 where: bonds (distance) C4'-P energy: -11.941 bonds (distance) P-C4' energy: -11.146 flat angles C4'-P-C4' energy: -11.890 flat angles P-C4'-P energy: -8.069 tors. eta vs tors. theta energy: -11.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -119.420672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.420672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.420672 (E_RNA) where: Base-Base interactions energy: -69.928 where: short stacking energy: -41.627 Base-Backbone interact. energy: -0.851 local terms energy: -48.641605 where: bonds (distance) C4'-P energy: -11.784 bonds (distance) P-C4' energy: -12.490 flat angles C4'-P-C4' energy: -10.795 flat angles P-C4'-P energy: -9.824 tors. eta vs tors. theta energy: -3.749 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: 9 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -93.681421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.681421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.681421 (E_RNA) where: Base-Base interactions energy: -42.478 where: short stacking energy: -42.118 Base-Backbone interact. energy: -0.002 local terms energy: -51.201873 where: bonds (distance) C4'-P energy: -11.808 bonds (distance) P-C4' energy: -11.516 flat angles C4'-P-C4' energy: -10.809 flat angles P-C4'-P energy: -8.326 tors. eta vs tors. theta energy: -8.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -115.909004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.909004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.909004 (E_RNA) where: Base-Base interactions energy: -70.576 where: short stacking energy: -43.990 Base-Backbone interact. energy: -0.262 local terms energy: -45.071534 where: bonds (distance) C4'-P energy: -12.682 bonds (distance) P-C4' energy: -15.234 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -7.239 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: 91 Temperature: 1.250000 Total energy: -86.181708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.181708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.181708 (E_RNA) where: Base-Base interactions energy: -37.904 where: short stacking energy: -24.531 Base-Backbone interact. energy: -0.084 local terms energy: -48.193831 where: bonds (distance) C4'-P energy: -11.464 bonds (distance) P-C4' energy: -11.642 flat angles C4'-P-C4' energy: -12.591 flat angles P-C4'-P energy: -9.246 tors. eta vs tors. theta energy: -3.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -83.509165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.509165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.509165 (E_RNA) where: Base-Base interactions energy: -40.825 where: short stacking energy: -40.807 Base-Backbone interact. energy: -0.446 local terms energy: -42.237828 where: bonds (distance) C4'-P energy: -10.687 bonds (distance) P-C4' energy: -11.570 flat angles C4'-P-C4' energy: -8.362 flat angles P-C4'-P energy: -6.404 tors. eta vs tors. theta energy: -5.215 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: 10, replica: 8 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -81.880520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.880520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.880520 (E_RNA) where: Base-Base interactions energy: -39.982 where: short stacking energy: -31.259 Base-Backbone interact. energy: -0.008 local terms energy: -41.891087 where: bonds (distance) C4'-P energy: -12.624 bonds (distance) P-C4' energy: -14.353 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -6.994 tors. eta vs tors. theta energy: -2.258 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: 2 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -170.690036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.690036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.690036 (E_RNA) where: Base-Base interactions energy: -100.901 where: short stacking energy: -66.550 Base-Backbone interact. energy: -0.000 local terms energy: -69.789188 where: bonds (distance) C4'-P energy: -12.881 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -14.099 flat angles P-C4'-P energy: -10.828 tors. eta vs tors. theta energy: -17.145 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: 6 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -153.940606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.940606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.940606 (E_RNA) where: Base-Base interactions energy: -86.921 where: short stacking energy: -54.853 Base-Backbone interact. energy: 0.055 local terms energy: -67.075296 where: bonds (distance) C4'-P energy: -14.686 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -14.351 flat angles P-C4'-P energy: -8.410 tors. eta vs tors. theta energy: -14.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -153.232331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.232331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.232331 (E_RNA) where: Base-Base interactions energy: -93.463 where: short stacking energy: -48.283 Base-Backbone interact. energy: -0.016 local terms energy: -59.753487 where: bonds (distance) C4'-P energy: -11.618 bonds (distance) P-C4' energy: -12.147 flat angles C4'-P-C4' energy: -14.128 flat angles P-C4'-P energy: -8.954 tors. eta vs tors. theta energy: -12.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -145.897842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.897842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.897842 (E_RNA) where: Base-Base interactions energy: -90.565 where: short stacking energy: -53.796 Base-Backbone interact. energy: -0.252 local terms energy: -55.080346 where: bonds (distance) C4'-P energy: -12.363 bonds (distance) P-C4' energy: -11.284 flat angles C4'-P-C4' energy: -10.561 flat angles P-C4'-P energy: -9.052 tors. eta vs tors. theta energy: -11.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -137.456952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.456952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.456952 (E_RNA) where: Base-Base interactions energy: -76.050 where: short stacking energy: -52.184 Base-Backbone interact. energy: -0.002 local terms energy: -61.404450 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -14.404 flat angles P-C4'-P energy: -11.443 tors. eta vs tors. theta energy: -8.725 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: 9 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -92.388003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.388003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.388003 (E_RNA) where: Base-Base interactions energy: -39.453 where: short stacking energy: -37.859 Base-Backbone interact. energy: -0.103 local terms energy: -52.832272 where: bonds (distance) C4'-P energy: -13.634 bonds (distance) P-C4' energy: -12.677 flat angles C4'-P-C4' energy: -11.891 flat angles P-C4'-P energy: -7.530 tors. eta vs tors. theta energy: -7.099 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: 7 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -85.649864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.649864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.649864 (E_RNA) where: Base-Base interactions energy: -38.100 where: short stacking energy: -38.073 Base-Backbone interact. energy: -0.018 local terms energy: -47.531260 where: bonds (distance) C4'-P energy: -8.534 bonds (distance) P-C4' energy: -11.940 flat angles C4'-P-C4' energy: -11.529 flat angles P-C4'-P energy: -9.227 tors. eta vs tors. theta energy: -6.302 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: 1 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -112.933671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.933671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.933671 (E_RNA) where: Base-Base interactions energy: -60.652 where: short stacking energy: -34.804 Base-Backbone interact. energy: -1.288 local terms energy: -50.993711 where: bonds (distance) C4'-P energy: -11.028 bonds (distance) P-C4' energy: -11.703 flat angles C4'-P-C4' energy: -13.022 flat angles P-C4'-P energy: -10.913 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: 9, replica: 8 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -82.685536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.685536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.685536 (E_RNA) where: Base-Base interactions energy: -43.043 where: short stacking energy: -39.432 Base-Backbone interact. energy: 0.664 local terms energy: -40.305663 where: bonds (distance) C4'-P energy: -8.236 bonds (distance) P-C4' energy: -12.669 flat angles C4'-P-C4' energy: -13.389 flat angles P-C4'-P energy: -2.513 tors. eta vs tors. theta energy: -3.499 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: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -72.124967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.124967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.124967 (E_RNA) where: Base-Base interactions energy: -25.990 where: short stacking energy: -25.990 Base-Backbone interact. energy: -0.217 local terms energy: -45.918526 where: bonds (distance) C4'-P energy: -9.409 bonds (distance) P-C4' energy: -14.025 flat angles C4'-P-C4' energy: -11.901 flat angles P-C4'-P energy: -8.228 tors. eta vs tors. theta energy: -2.355 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: 1, replica: 2 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -154.345252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.345252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.345252 (E_RNA) where: Base-Base interactions energy: -95.337 where: short stacking energy: -52.552 Base-Backbone interact. energy: -0.078 local terms energy: -58.929934 where: bonds (distance) C4'-P energy: -13.577 bonds (distance) P-C4' energy: -10.297 flat angles C4'-P-C4' energy: -14.524 flat angles P-C4'-P energy: -9.367 tors. eta vs tors. theta energy: -11.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -160.910779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.910779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.910779 (E_RNA) where: Base-Base interactions energy: -93.124 where: short stacking energy: -61.775 Base-Backbone interact. energy: -0.001 local terms energy: -67.786166 where: bonds (distance) C4'-P energy: -14.438 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -12.572 flat angles P-C4'-P energy: -10.966 tors. eta vs tors. theta energy: -17.008 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: 6 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -162.506732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.506732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.506732 (E_RNA) where: Base-Base interactions energy: -95.276 where: short stacking energy: -59.600 Base-Backbone interact. energy: -0.002 local terms energy: -67.229083 where: bonds (distance) C4'-P energy: -13.170 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -13.068 flat angles P-C4'-P energy: -8.784 tors. eta vs tors. theta energy: -16.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -141.543377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.543377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.543377 (E_RNA) where: Base-Base interactions energy: -81.445 where: short stacking energy: -48.888 Base-Backbone interact. energy: -0.392 local terms energy: -59.705489 where: bonds (distance) C4'-P energy: -11.696 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -14.007 flat angles P-C4'-P energy: -7.884 tors. eta vs tors. theta energy: -11.280 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: 5 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -135.146216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.146216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.146216 (E_RNA) where: Base-Base interactions energy: -78.667 where: short stacking energy: -47.658 Base-Backbone interact. energy: -0.003 local terms energy: -56.476086 where: bonds (distance) C4'-P energy: -10.537 bonds (distance) P-C4' energy: -12.325 flat angles C4'-P-C4' energy: -11.041 flat angles P-C4'-P energy: -6.519 tors. eta vs tors. theta energy: -16.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -99.183721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.183721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.183721 (E_RNA) where: Base-Base interactions energy: -49.696 where: short stacking energy: -49.696 Base-Backbone interact. energy: -0.540 local terms energy: -48.947381 where: bonds (distance) C4'-P energy: -7.710 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -11.437 flat angles P-C4'-P energy: -10.987 tors. eta vs tors. theta energy: -6.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -92.807003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.807003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.807003 (E_RNA) where: Base-Base interactions energy: -36.110 where: short stacking energy: -36.110 Base-Backbone interact. energy: -0.082 local terms energy: -56.614881 where: bonds (distance) C4'-P energy: -8.812 bonds (distance) P-C4' energy: -13.835 flat angles C4'-P-C4' energy: -13.001 flat angles P-C4'-P energy: -11.520 tors. eta vs tors. theta energy: -9.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -117.992069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.992069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.992069 (E_RNA) where: Base-Base interactions energy: -71.605 where: short stacking energy: -47.469 Base-Backbone interact. energy: -0.052 local terms energy: -46.334711 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -8.067 flat angles C4'-P-C4' energy: -10.994 flat angles P-C4'-P energy: -6.375 tors. eta vs tors. theta energy: -8.758 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: 1 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -81.988893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.988893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.988893 (E_RNA) where: Base-Base interactions energy: -32.230 where: short stacking energy: -31.002 Base-Backbone interact. energy: -0.078 local terms energy: -49.680841 where: bonds (distance) C4'-P energy: -10.720 bonds (distance) P-C4' energy: -14.654 flat angles C4'-P-C4' energy: -11.541 flat angles P-C4'-P energy: -8.698 tors. eta vs tors. theta energy: -4.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -78.857905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.857905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.857905 (E_RNA) where: Base-Base interactions energy: -35.328 where: short stacking energy: -35.328 Base-Backbone interact. energy: -0.233 local terms energy: -43.297312 where: bonds (distance) C4'-P energy: -3.734 bonds (distance) P-C4' energy: -12.569 flat angles C4'-P-C4' energy: -13.529 flat angles P-C4'-P energy: -8.561 tors. eta vs tors. theta energy: -4.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -168.068114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.068114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.068114 (E_RNA) where: Base-Base interactions energy: -101.593 where: short stacking energy: -61.513 Base-Backbone interact. energy: -0.001 local terms energy: -66.473971 where: bonds (distance) C4'-P energy: -11.597 bonds (distance) P-C4' energy: -13.029 flat angles C4'-P-C4' energy: -14.697 flat angles P-C4'-P energy: -10.484 tors. eta vs tors. theta energy: -16.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -152.194727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.194727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.194727 (E_RNA) where: Base-Base interactions energy: -91.458 where: short stacking energy: -60.713 Base-Backbone interact. energy: 0.785 local terms energy: -61.522721 where: bonds (distance) C4'-P energy: -10.766 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -12.707 flat angles P-C4'-P energy: -9.346 tors. eta vs tors. theta energy: -14.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -159.230484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.230484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.230484 (E_RNA) where: Base-Base interactions energy: -93.681 where: short stacking energy: -59.265 Base-Backbone interact. energy: -0.008 local terms energy: -65.540969 where: bonds (distance) C4'-P energy: -14.752 bonds (distance) P-C4' energy: -12.915 flat angles C4'-P-C4' energy: -12.934 flat angles P-C4'-P energy: -9.350 tors. eta vs tors. theta energy: -15.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -150.017859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.017859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.017859 (E_RNA) where: Base-Base interactions energy: -93.392 where: short stacking energy: -57.478 Base-Backbone interact. energy: -0.088 local terms energy: -56.537354 where: bonds (distance) C4'-P energy: -13.040 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -10.371 flat angles P-C4'-P energy: -8.373 tors. eta vs tors. theta energy: -10.820 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: 5 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -127.020995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.020995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.020995 (E_RNA) where: Base-Base interactions energy: -74.079 where: short stacking energy: -45.876 Base-Backbone interact. energy: -0.086 local terms energy: -52.855738 where: bonds (distance) C4'-P energy: -10.340 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -12.318 flat angles P-C4'-P energy: -7.794 tors. eta vs tors. theta energy: -9.390 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: 7 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -80.144194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.144194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.144194 (E_RNA) where: Base-Base interactions energy: -38.820 where: short stacking energy: -38.820 Base-Backbone interact. energy: -0.002 local terms energy: -41.321918 where: bonds (distance) C4'-P energy: -13.621 bonds (distance) P-C4' energy: -8.145 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -8.447 tors. eta vs tors. theta energy: -4.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -119.450413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.450413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.450413 (E_RNA) where: Base-Base interactions energy: -72.509 where: short stacking energy: -45.372 Base-Backbone interact. energy: -0.437 local terms energy: -46.504525 where: bonds (distance) C4'-P energy: -6.183 bonds (distance) P-C4' energy: -12.103 flat angles C4'-P-C4' energy: -12.090 flat angles P-C4'-P energy: -8.180 tors. eta vs tors. theta energy: -7.949 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: 9 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -88.646514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.646514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.646514 (E_RNA) where: Base-Base interactions energy: -35.948 where: short stacking energy: -31.944 Base-Backbone interact. energy: -0.014 local terms energy: -52.684904 where: bonds (distance) C4'-P energy: -7.247 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -13.116 flat angles P-C4'-P energy: -7.706 tors. eta vs tors. theta energy: -9.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -80.775891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.775891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.775891 (E_RNA) where: Base-Base interactions energy: -33.818 where: short stacking energy: -33.818 Base-Backbone interact. energy: -0.040 local terms energy: -46.918134 where: bonds (distance) C4'-P energy: -11.120 bonds (distance) P-C4' energy: -10.139 flat angles C4'-P-C4' energy: -11.877 flat angles P-C4'-P energy: -6.069 tors. eta vs tors. theta energy: -7.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -74.584453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.584453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.584453 (E_RNA) where: Base-Base interactions energy: -28.448 where: short stacking energy: -27.870 Base-Backbone interact. energy: -0.094 local terms energy: -46.042341 where: bonds (distance) C4'-P energy: -8.589 bonds (distance) P-C4' energy: -14.930 flat angles C4'-P-C4' energy: -9.721 flat angles P-C4'-P energy: -7.371 tors. eta vs tors. theta energy: -5.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -173.279004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.279004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.279004 (E_RNA) where: Base-Base interactions energy: -105.487 where: short stacking energy: -60.114 Base-Backbone interact. energy: -0.543 local terms energy: -67.249542 where: bonds (distance) C4'-P energy: -10.993 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -14.636 flat angles P-C4'-P energy: -8.996 tors. eta vs tors. theta energy: -17.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -152.778853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.778853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.778853 (E_RNA) where: Base-Base interactions energy: -89.567 where: short stacking energy: -58.873 Base-Backbone interact. energy: 0.758 local terms energy: -63.970023 where: bonds (distance) C4'-P energy: -12.414 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -11.741 flat angles P-C4'-P energy: -8.687 tors. eta vs tors. theta energy: -16.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -143.225999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.225999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.225999 (E_RNA) where: Base-Base interactions energy: -89.885 where: short stacking energy: -60.191 Base-Backbone interact. energy: -0.108 local terms energy: -53.233395 where: bonds (distance) C4'-P energy: -10.757 bonds (distance) P-C4' energy: -11.623 flat angles C4'-P-C4' energy: -11.992 flat angles P-C4'-P energy: -5.489 tors. eta vs tors. theta energy: -13.373 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: 4 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -139.646710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.646710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.646710 (E_RNA) where: Base-Base interactions energy: -80.402 where: short stacking energy: -51.719 Base-Backbone interact. energy: -0.151 local terms energy: -59.094397 where: bonds (distance) C4'-P energy: -12.914 bonds (distance) P-C4' energy: -12.588 flat angles C4'-P-C4' energy: -12.405 flat angles P-C4'-P energy: -7.894 tors. eta vs tors. theta energy: -13.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -135.054609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.054609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.054609 (E_RNA) where: Base-Base interactions energy: -84.255 where: short stacking energy: -49.237 Base-Backbone interact. energy: -0.743 local terms energy: -50.056642 where: bonds (distance) C4'-P energy: -7.360 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -11.558 flat angles P-C4'-P energy: -6.251 tors. eta vs tors. theta energy: -12.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -125.425293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.425293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.425293 (E_RNA) where: Base-Base interactions energy: -74.397 where: short stacking energy: -44.372 Base-Backbone interact. energy: -0.005 local terms energy: -51.022670 where: bonds (distance) C4'-P energy: -9.481 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -14.141 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -9.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -91.391453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.391453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.391453 (E_RNA) where: Base-Base interactions energy: -44.025 where: short stacking energy: -44.025 Base-Backbone interact. energy: -0.023 local terms energy: -47.343696 where: bonds (distance) C4'-P energy: -11.150 bonds (distance) P-C4' energy: -11.900 flat angles C4'-P-C4' energy: -7.122 flat angles P-C4'-P energy: -9.525 tors. eta vs tors. theta energy: -7.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -79.626050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.626050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.626050 (E_RNA) where: Base-Base interactions energy: -35.058 where: short stacking energy: -28.216 Base-Backbone interact. energy: -0.350 local terms energy: -44.218088 where: bonds (distance) C4'-P energy: -12.500 bonds (distance) P-C4' energy: -12.934 flat angles C4'-P-C4' energy: -9.778 flat angles P-C4'-P energy: -9.172 tors. eta vs tors. theta energy: 0.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -72.432181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.432181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.432181 (E_RNA) where: Base-Base interactions energy: -32.798 where: short stacking energy: -23.695 Base-Backbone interact. energy: -0.270 local terms energy: -39.364195 where: bonds (distance) C4'-P energy: -13.001 bonds (distance) P-C4' energy: -12.313 flat angles C4'-P-C4' energy: -7.857 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: -0.223 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: 1 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -74.454299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.454299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.454299 (E_RNA) where: Base-Base interactions energy: -28.672 where: short stacking energy: -27.116 Base-Backbone interact. energy: -0.198 local terms energy: -45.584667 where: bonds (distance) C4'-P energy: -10.472 bonds (distance) P-C4' energy: -10.651 flat angles C4'-P-C4' energy: -10.936 flat angles P-C4'-P energy: -8.569 tors. eta vs tors. theta energy: -4.956 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: 1, replica: 2 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -167.617190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.617190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.617190 (E_RNA) where: Base-Base interactions energy: -101.854 where: short stacking energy: -64.038 Base-Backbone interact. energy: 0.488 local terms energy: -66.251534 where: bonds (distance) C4'-P energy: -13.411 bonds (distance) P-C4' energy: -13.031 flat angles C4'-P-C4' energy: -10.906 flat angles P-C4'-P energy: -10.778 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: 2, replica: 3 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -173.831597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.831597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.831597 (E_RNA) where: Base-Base interactions energy: -107.629 where: short stacking energy: -72.310 Base-Backbone interact. energy: -0.000 local terms energy: -66.201836 where: bonds (distance) C4'-P energy: -13.378 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -13.869 flat angles P-C4'-P energy: -10.594 tors. eta vs tors. theta energy: -15.230 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: 6 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -149.528486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.528486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.528486 (E_RNA) where: Base-Base interactions energy: -88.345 where: short stacking energy: -46.068 Base-Backbone interact. energy: -0.023 local terms energy: -61.160672 where: bonds (distance) C4'-P energy: -14.166 bonds (distance) P-C4' energy: -11.382 flat angles C4'-P-C4' energy: -15.208 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -13.676 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: 4 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -155.089294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.089294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.089294 (E_RNA) where: Base-Base interactions energy: -89.388 where: short stacking energy: -56.971 Base-Backbone interact. energy: -0.003 local terms energy: -65.698948 where: bonds (distance) C4'-P energy: -14.835 bonds (distance) P-C4' energy: -12.572 flat angles C4'-P-C4' energy: -13.142 flat angles P-C4'-P energy: -8.329 tors. eta vs tors. theta energy: -16.820 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: 8 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -129.802226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.802226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.802226 (E_RNA) where: Base-Base interactions energy: -76.822 where: short stacking energy: -33.005 Base-Backbone interact. energy: -0.300 local terms energy: -52.680410 where: bonds (distance) C4'-P energy: -13.668 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -13.298 flat angles P-C4'-P energy: -5.587 tors. eta vs tors. theta energy: -6.021 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: 6, replica: 5 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -128.093135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.093135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.093135 (E_RNA) where: Base-Base interactions energy: -82.606 where: short stacking energy: -44.964 Base-Backbone interact. energy: -0.131 local terms energy: -45.356831 where: bonds (distance) C4'-P energy: -10.596 bonds (distance) P-C4' energy: -11.609 flat angles C4'-P-C4' energy: -8.918 flat angles P-C4'-P energy: -6.118 tors. eta vs tors. theta energy: -8.116 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: 7 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -90.864426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.864426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.864426 (E_RNA) where: Base-Base interactions energy: -35.394 where: short stacking energy: -35.394 Base-Backbone interact. energy: -0.206 local terms energy: -55.264808 where: bonds (distance) C4'-P energy: -14.314 bonds (distance) P-C4' energy: -12.363 flat angles C4'-P-C4' energy: -14.944 flat angles P-C4'-P energy: -11.880 tors. eta vs tors. theta energy: -1.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -75.080201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.080201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.080201 (E_RNA) where: Base-Base interactions energy: -34.821 where: short stacking energy: -34.821 Base-Backbone interact. energy: -0.024 local terms energy: -40.235832 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -12.271 flat angles C4'-P-C4' energy: -9.588 flat angles P-C4'-P energy: -9.153 tors. eta vs tors. theta energy: -2.163 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: 9, replica: 1 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -79.058885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.058885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.058885 (E_RNA) where: Base-Base interactions energy: -31.119 where: short stacking energy: -30.595 Base-Backbone interact. energy: 0.175 local terms energy: -48.114742 where: bonds (distance) C4'-P energy: -13.180 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -12.114 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -6.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -78.720059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.720059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.720059 (E_RNA) where: Base-Base interactions energy: -35.320 where: short stacking energy: -22.828 Base-Backbone interact. energy: -0.012 local terms energy: -43.388152 where: bonds (distance) C4'-P energy: -10.057 bonds (distance) P-C4' energy: -12.144 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -9.567 tors. eta vs tors. theta energy: -4.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -166.190290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.190290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.190290 (E_RNA) where: Base-Base interactions energy: -100.272 where: short stacking energy: -60.125 Base-Backbone interact. energy: -0.023 local terms energy: -65.895839 where: bonds (distance) C4'-P energy: -12.057 bonds (distance) P-C4' energy: -15.080 flat angles C4'-P-C4' energy: -14.446 flat angles P-C4'-P energy: -6.699 tors. eta vs tors. theta energy: -17.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -171.130988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.130988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.130988 (E_RNA) where: Base-Base interactions energy: -105.585 where: short stacking energy: -68.382 Base-Backbone interact. energy: -0.174 local terms energy: -65.371718 where: bonds (distance) C4'-P energy: -13.795 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -13.703 flat angles P-C4'-P energy: -5.203 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: 3, replica: 6 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -157.165121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.165121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.165121 (E_RNA) where: Base-Base interactions energy: -98.612 where: short stacking energy: -55.564 Base-Backbone interact. energy: -0.661 local terms energy: -57.892212 where: bonds (distance) C4'-P energy: -13.755 bonds (distance) P-C4' energy: -12.929 flat angles C4'-P-C4' energy: -11.505 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: -14.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -133.148033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.148033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.148033 (E_RNA) where: Base-Base interactions energy: -87.813 where: short stacking energy: -38.400 Base-Backbone interact. energy: -0.118 local terms energy: -45.216769 where: bonds (distance) C4'-P energy: -8.509 bonds (distance) P-C4' energy: -11.901 flat angles C4'-P-C4' energy: -10.002 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -9.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -151.849448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.849448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.849448 (E_RNA) where: Base-Base interactions energy: -90.069 where: short stacking energy: -55.731 Base-Backbone interact. energy: -0.403 local terms energy: -61.377450 where: bonds (distance) C4'-P energy: -12.707 bonds (distance) P-C4' energy: -13.811 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -10.412 tors. eta vs tors. theta energy: -11.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -119.785560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.785560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.785560 (E_RNA) where: Base-Base interactions energy: -64.055 where: short stacking energy: -37.922 Base-Backbone interact. energy: -0.218 local terms energy: -55.512461 where: bonds (distance) C4'-P energy: -14.040 bonds (distance) P-C4' energy: -12.476 flat angles C4'-P-C4' energy: -14.640 flat angles P-C4'-P energy: -6.692 tors. eta vs tors. theta energy: -7.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -96.509654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.509654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.509654 (E_RNA) where: Base-Base interactions energy: -41.832 where: short stacking energy: -41.379 Base-Backbone interact. energy: -0.037 local terms energy: -54.640797 where: bonds (distance) C4'-P energy: -13.928 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -9.723 tors. eta vs tors. theta energy: -9.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -77.640902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.640902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.640902 (E_RNA) where: Base-Base interactions energy: -37.790 where: short stacking energy: -37.148 Base-Backbone interact. energy: -0.166 local terms energy: -39.684441 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -14.433 flat angles C4'-P-C4' energy: -10.101 flat angles P-C4'-P energy: -0.423 tors. eta vs tors. theta energy: -8.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -74.624006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.624006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.624006 (E_RNA) where: Base-Base interactions energy: -25.600 where: short stacking energy: -25.600 Base-Backbone interact. energy: -0.075 local terms energy: -48.949083 where: bonds (distance) C4'-P energy: -12.625 bonds (distance) P-C4' energy: -14.614 flat angles C4'-P-C4' energy: -13.430 flat angles P-C4'-P energy: -6.953 tors. eta vs tors. theta energy: -1.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -69.816522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.816522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.816522 (E_RNA) where: Base-Base interactions energy: -30.787 where: short stacking energy: -30.147 Base-Backbone interact. energy: -0.469 local terms energy: -38.560943 where: bonds (distance) C4'-P energy: -6.952 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -10.014 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -1.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -165.082892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.082892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.082892 (E_RNA) where: Base-Base interactions energy: -103.405 where: short stacking energy: -66.198 Base-Backbone interact. energy: -0.009 local terms energy: -61.669462 where: bonds (distance) C4'-P energy: -11.828 bonds (distance) P-C4' energy: -15.112 flat angles C4'-P-C4' energy: -10.847 flat angles P-C4'-P energy: -8.532 tors. eta vs tors. theta energy: -15.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -164.581686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.581686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.581686 (E_RNA) where: Base-Base interactions energy: -98.970 where: short stacking energy: -66.936 Base-Backbone interact. energy: -0.020 local terms energy: -65.590721 where: bonds (distance) C4'-P energy: -14.325 bonds (distance) P-C4' energy: -12.925 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -11.634 tors. eta vs tors. theta energy: -18.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -136.064998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.064998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.064998 (E_RNA) where: Base-Base interactions energy: -83.137 where: short stacking energy: -50.988 Base-Backbone interact. energy: -0.011 local terms energy: -52.917180 where: bonds (distance) C4'-P energy: -11.867 bonds (distance) P-C4' energy: -15.351 flat angles C4'-P-C4' energy: -9.902 flat angles P-C4'-P energy: -8.877 tors. eta vs tors. theta energy: -6.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -139.986663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.986663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.986663 (E_RNA) where: Base-Base interactions energy: -85.384 where: short stacking energy: -43.064 Base-Backbone interact. energy: -0.207 local terms energy: -54.396469 where: bonds (distance) C4'-P energy: -10.773 bonds (distance) P-C4' energy: -16.697 flat angles C4'-P-C4' energy: -12.300 flat angles P-C4'-P energy: -9.659 tors. eta vs tors. theta energy: -4.968 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: 4 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -133.471881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.471881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.471881 (E_RNA) where: Base-Base interactions energy: -76.146 where: short stacking energy: -45.230 Base-Backbone interact. energy: -0.037 local terms energy: -57.288158 where: bonds (distance) C4'-P energy: -9.528 bonds (distance) P-C4' energy: -10.276 flat angles C4'-P-C4' energy: -16.188 flat angles P-C4'-P energy: -10.333 tors. eta vs tors. theta energy: -10.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -120.170396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.170396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.170396 (E_RNA) where: Base-Base interactions energy: -69.663 where: short stacking energy: -42.353 Base-Backbone interact. energy: -0.006 local terms energy: -50.501292 where: bonds (distance) C4'-P energy: -9.454 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -10.400 flat angles P-C4'-P energy: -6.225 tors. eta vs tors. theta energy: -8.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -98.832301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.832301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.832301 (E_RNA) where: Base-Base interactions energy: -50.574 where: short stacking energy: -43.411 Base-Backbone interact. energy: -0.001 local terms energy: -48.256697 where: bonds (distance) C4'-P energy: -13.030 bonds (distance) P-C4' energy: -11.041 flat angles C4'-P-C4' energy: -12.186 flat angles P-C4'-P energy: -3.512 tors. eta vs tors. theta energy: -8.488 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: 7 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -89.799515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.799515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.799515 (E_RNA) where: Base-Base interactions energy: -35.993 where: short stacking energy: -33.362 Base-Backbone interact. energy: -0.001 local terms energy: -53.805889 where: bonds (distance) C4'-P energy: -11.606 bonds (distance) P-C4' energy: -12.277 flat angles C4'-P-C4' energy: -11.023 flat angles P-C4'-P energy: -10.817 tors. eta vs tors. theta energy: -8.082 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: 9, replica: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -78.518212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.518212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.518212 (E_RNA) where: Base-Base interactions energy: -38.584 where: short stacking energy: -31.174 Base-Backbone interact. energy: 0.071 local terms energy: -40.004602 where: bonds (distance) C4'-P energy: -10.687 bonds (distance) P-C4' energy: -11.118 flat angles C4'-P-C4' energy: -12.026 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: -0.737 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: 1 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -77.953423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.953423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.953423 (E_RNA) where: Base-Base interactions energy: -39.841 where: short stacking energy: -39.841 Base-Backbone interact. energy: 0.425 local terms energy: -38.537931 where: bonds (distance) C4'-P energy: -12.110 bonds (distance) P-C4' energy: -12.482 flat angles C4'-P-C4' energy: -8.682 flat angles P-C4'-P energy: 1.151 tors. eta vs tors. theta energy: -6.415 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: 2 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -160.562761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.562761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.562761 (E_RNA) where: Base-Base interactions energy: -99.972 where: short stacking energy: -59.318 Base-Backbone interact. energy: 0.897 local terms energy: -61.487503 where: bonds (distance) C4'-P energy: -12.152 bonds (distance) P-C4' energy: -12.535 flat angles C4'-P-C4' energy: -13.271 flat angles P-C4'-P energy: -9.745 tors. eta vs tors. theta energy: -13.784 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: 3 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -165.927081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.927081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.927081 (E_RNA) where: Base-Base interactions energy: -105.376 where: short stacking energy: -63.755 Base-Backbone interact. energy: -0.002 local terms energy: -60.548667 where: bonds (distance) C4'-P energy: -12.495 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -13.147 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -16.277 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: 99 Temperature: 1.000000 Total energy: -144.400908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.400908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.400908 (E_RNA) where: Base-Base interactions energy: -85.241 where: short stacking energy: -50.293 Base-Backbone interact. energy: 0.065 local terms energy: -59.224419 where: bonds (distance) C4'-P energy: -10.786 bonds (distance) P-C4' energy: -15.219 flat angles C4'-P-C4' energy: -11.618 flat angles P-C4'-P energy: -10.956 tors. eta vs tors. theta energy: -10.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -142.080557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.080557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.080557 (E_RNA) where: Base-Base interactions energy: -86.104 where: short stacking energy: -53.537 Base-Backbone interact. energy: -0.254 local terms energy: -55.722401 where: bonds (distance) C4'-P energy: -11.871 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -10.701 flat angles P-C4'-P energy: -6.141 tors. eta vs tors. theta energy: -11.932 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: 99 Temperature: 1.100000 Total energy: -122.612210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.612210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.612210 (E_RNA) where: Base-Base interactions energy: -66.682 where: short stacking energy: -40.901 Base-Backbone interact. energy: -1.101 local terms energy: -54.829059 where: bonds (distance) C4'-P energy: -15.055 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -10.223 flat angles P-C4'-P energy: -9.615 tors. eta vs tors. theta energy: -5.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -128.407328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.407328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.407328 (E_RNA) where: Base-Base interactions energy: -76.335 where: short stacking energy: -44.686 Base-Backbone interact. energy: -0.083 local terms energy: -51.989142 where: bonds (distance) C4'-P energy: -8.732 bonds (distance) P-C4' energy: -12.721 flat angles C4'-P-C4' energy: -10.696 flat angles P-C4'-P energy: -5.012 tors. eta vs tors. theta energy: -14.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -97.593326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.593326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.593326 (E_RNA) where: Base-Base interactions energy: -46.352 where: short stacking energy: -44.628 Base-Backbone interact. energy: -0.024 local terms energy: -51.217113 where: bonds (distance) C4'-P energy: -6.336 bonds (distance) P-C4' energy: -11.912 flat angles C4'-P-C4' energy: -14.549 flat angles P-C4'-P energy: -8.495 tors. eta vs tors. theta energy: -9.926 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: 8, replica: 9 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -92.437936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.437936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.437936 (E_RNA) where: Base-Base interactions energy: -41.468 where: short stacking energy: -40.155 Base-Backbone interact. energy: -0.172 local terms energy: -50.797633 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -13.483 flat angles P-C4'-P energy: -6.706 tors. eta vs tors. theta energy: -2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -79.243554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.243554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.243554 (E_RNA) where: Base-Base interactions energy: -29.980 where: short stacking energy: -21.864 Base-Backbone interact. energy: -0.169 local terms energy: -49.094873 where: bonds (distance) C4'-P energy: -12.779 bonds (distance) P-C4' energy: -12.808 flat angles C4'-P-C4' energy: -11.089 flat angles P-C4'-P energy: -8.362 tors. eta vs tors. theta energy: -4.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -78.751648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.751648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.751648 (E_RNA) where: Base-Base interactions energy: -32.967 where: short stacking energy: -33.266 Base-Backbone interact. energy: -0.190 local terms energy: -45.594824 where: bonds (distance) C4'-P energy: -9.805 bonds (distance) P-C4' energy: -12.869 flat angles C4'-P-C4' energy: -8.154 flat angles P-C4'-P energy: -11.764 tors. eta vs tors. theta energy: -3.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -162.771211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.771211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.771211 (E_RNA) where: Base-Base interactions energy: -97.739 where: short stacking energy: -65.670 Base-Backbone interact. energy: -0.045 local terms energy: -64.987100 where: bonds (distance) C4'-P energy: -12.025 bonds (distance) P-C4' energy: -10.385 flat angles C4'-P-C4' energy: -13.263 flat angles P-C4'-P energy: -11.488 tors. eta vs tors. theta energy: -17.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -152.562700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.562700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.562700 (E_RNA) where: Base-Base interactions energy: -92.527 where: short stacking energy: -50.098 Base-Backbone interact. energy: 0.625 local terms energy: -60.661233 where: bonds (distance) C4'-P energy: -12.368 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -11.454 flat angles P-C4'-P energy: -8.796 tors. eta vs tors. theta energy: -13.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -148.881515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.881515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.881515 (E_RNA) where: Base-Base interactions energy: -88.341 where: short stacking energy: -59.280 Base-Backbone interact. energy: -0.032 local terms energy: -60.508061 where: bonds (distance) C4'-P energy: -10.845 bonds (distance) P-C4' energy: -13.919 flat angles C4'-P-C4' energy: -13.866 flat angles P-C4'-P energy: -7.592 tors. eta vs tors. theta energy: -14.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -150.397846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.397846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.397846 (E_RNA) where: Base-Base interactions energy: -89.936 where: short stacking energy: -59.221 Base-Backbone interact. energy: -0.005 local terms energy: -60.456247 where: bonds (distance) C4'-P energy: -11.395 bonds (distance) P-C4' energy: -11.502 flat angles C4'-P-C4' energy: -13.273 flat angles P-C4'-P energy: -9.928 tors. eta vs tors. theta energy: -14.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -138.978056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.978056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.978056 (E_RNA) where: Base-Base interactions energy: -83.420 where: short stacking energy: -52.619 Base-Backbone interact. energy: -0.599 local terms energy: -54.959058 where: bonds (distance) C4'-P energy: -12.666 bonds (distance) P-C4' energy: -8.993 flat angles C4'-P-C4' energy: -13.019 flat angles P-C4'-P energy: -8.133 tors. eta vs tors. theta energy: -12.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -101.723443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.723443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.723443 (E_RNA) where: Base-Base interactions energy: -48.479 where: short stacking energy: -37.195 Base-Backbone interact. energy: -0.191 local terms energy: -53.053231 where: bonds (distance) C4'-P energy: -8.017 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -11.736 flat angles P-C4'-P energy: -10.286 tors. eta vs tors. theta energy: -8.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -93.165172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.165172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.165172 (E_RNA) where: Base-Base interactions energy: -40.171 where: short stacking energy: -40.171 Base-Backbone interact. energy: -0.216 local terms energy: -52.778415 where: bonds (distance) C4'-P energy: -12.143 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -10.024 flat angles P-C4'-P energy: -10.844 tors. eta vs tors. theta energy: -5.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -72.964443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.964443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.964443 (E_RNA) where: Base-Base interactions energy: -26.929 where: short stacking energy: -26.631 Base-Backbone interact. energy: -0.089 local terms energy: -45.945996 where: bonds (distance) C4'-P energy: -14.110 bonds (distance) P-C4' energy: -13.249 flat angles C4'-P-C4' energy: -12.668 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -85.254036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.254036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.254036 (E_RNA) where: Base-Base interactions energy: -38.403 where: short stacking energy: -34.531 Base-Backbone interact. energy: -0.098 local terms energy: -46.752843 where: bonds (distance) C4'-P energy: -10.824 bonds (distance) P-C4' energy: -11.997 flat angles C4'-P-C4' energy: -7.596 flat angles P-C4'-P energy: -6.252 tors. eta vs tors. theta energy: -10.084 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: 7 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -102.934672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.934672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.934672 (E_RNA) where: Base-Base interactions energy: -53.185 where: short stacking energy: -30.801 Base-Backbone interact. energy: -0.136 local terms energy: -49.613719 where: bonds (distance) C4'-P energy: -12.520 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -10.304 flat angles P-C4'-P energy: -9.178 tors. eta vs tors. theta energy: -2.776 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: 3 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -157.919295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.919295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.919295 (E_RNA) where: Base-Base interactions energy: -93.964 where: short stacking energy: -56.301 Base-Backbone interact. energy: -0.001 local terms energy: -63.953522 where: bonds (distance) C4'-P energy: -13.622 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -14.144 flat angles P-C4'-P energy: -5.004 tors. eta vs tors. theta energy: -16.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -165.350738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.350738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.350738 (E_RNA) where: Base-Base interactions energy: -106.248 where: short stacking energy: -64.361 Base-Backbone interact. energy: -0.079 local terms energy: -59.023439 where: bonds (distance) C4'-P energy: -11.429 bonds (distance) P-C4' energy: -13.657 flat angles C4'-P-C4' energy: -11.165 flat angles P-C4'-P energy: -8.646 tors. eta vs tors. theta energy: -14.127 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: 2 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -152.259326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.259326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.259326 (E_RNA) where: Base-Base interactions energy: -89.409 where: short stacking energy: -56.383 Base-Backbone interact. energy: -0.044 local terms energy: -62.806386 where: bonds (distance) C4'-P energy: -12.012 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -15.211 flat angles P-C4'-P energy: -7.844 tors. eta vs tors. theta energy: -12.922 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: 4, replica: 4 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -145.466335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.466335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.466335 (E_RNA) where: Base-Base interactions energy: -87.320 where: short stacking energy: -56.831 Base-Backbone interact. energy: -0.000 local terms energy: -58.145834 where: bonds (distance) C4'-P energy: -13.862 bonds (distance) P-C4' energy: -13.475 flat angles C4'-P-C4' energy: -10.567 flat angles P-C4'-P energy: -5.582 tors. eta vs tors. theta energy: -14.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -128.014895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.014895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.014895 (E_RNA) where: Base-Base interactions energy: -72.817 where: short stacking energy: -44.404 Base-Backbone interact. energy: -0.121 local terms energy: -55.076837 where: bonds (distance) C4'-P energy: -13.183 bonds (distance) P-C4' energy: -15.241 flat angles C4'-P-C4' energy: -11.964 flat angles P-C4'-P energy: -8.563 tors. eta vs tors. theta energy: -6.126 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: 9 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -99.634336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.634336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.634336 (E_RNA) where: Base-Base interactions energy: -48.194 where: short stacking energy: -43.100 Base-Backbone interact. energy: -0.149 local terms energy: -51.290631 where: bonds (distance) C4'-P energy: -13.784 bonds (distance) P-C4' energy: -9.569 flat angles C4'-P-C4' energy: -14.055 flat angles P-C4'-P energy: -8.825 tors. eta vs tors. theta energy: -5.057 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: 8 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -92.783678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.783678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.783678 (E_RNA) where: Base-Base interactions energy: -41.428 where: short stacking energy: -36.726 Base-Backbone interact. energy: -0.100 local terms energy: -51.255755 where: bonds (distance) C4'-P energy: -11.846 bonds (distance) P-C4' energy: -14.490 flat angles C4'-P-C4' energy: -11.695 flat angles P-C4'-P energy: -6.466 tors. eta vs tors. theta energy: -6.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -87.985771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.985771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.985771 (E_RNA) where: Base-Base interactions energy: -33.749 where: short stacking energy: -33.749 Base-Backbone interact. energy: -0.115 local terms energy: -54.121161 where: bonds (distance) C4'-P energy: -10.732 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -12.987 flat angles P-C4'-P energy: -10.108 tors. eta vs tors. theta energy: -6.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -84.912386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.912386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.912386 (E_RNA) where: Base-Base interactions energy: -34.026 where: short stacking energy: -31.593 Base-Backbone interact. energy: -0.071 local terms energy: -50.814961 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -11.598 flat angles P-C4'-P energy: -6.982 tors. eta vs tors. theta energy: -6.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -67.910804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.910804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.910804 (E_RNA) where: Base-Base interactions energy: -27.892 where: short stacking energy: -25.008 Base-Backbone interact. energy: -0.116 local terms energy: -39.902374 where: bonds (distance) C4'-P energy: -8.285 bonds (distance) P-C4' energy: -11.421 flat angles C4'-P-C4' energy: -11.325 flat angles P-C4'-P energy: -5.619 tors. eta vs tors. theta energy: -3.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -168.990084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.990084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.990084 (E_RNA) where: Base-Base interactions energy: -101.670 where: short stacking energy: -67.751 Base-Backbone interact. energy: -0.003 local terms energy: -67.317374 where: bonds (distance) C4'-P energy: -11.557 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -12.753 flat angles P-C4'-P energy: -9.990 tors. eta vs tors. theta energy: -19.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -164.674019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.674019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.674019 (E_RNA) where: Base-Base interactions energy: -98.839 where: short stacking energy: -60.833 Base-Backbone interact. energy: -0.021 local terms energy: -65.813700 where: bonds (distance) C4'-P energy: -9.487 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -14.183 flat angles P-C4'-P energy: -11.022 tors. eta vs tors. theta energy: -15.592 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: 4 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -143.861540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.861540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.861540 (E_RNA) where: Base-Base interactions energy: -83.055 where: short stacking energy: -52.042 Base-Backbone interact. energy: -0.041 local terms energy: -60.764839 where: bonds (distance) C4'-P energy: -14.478 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -13.687 flat angles P-C4'-P energy: -7.984 tors. eta vs tors. theta energy: -11.235 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: 2 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -159.157082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.157082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.157082 (E_RNA) where: Base-Base interactions energy: -105.873 where: short stacking energy: -60.669 Base-Backbone interact. energy: -0.232 local terms energy: -53.052141 where: bonds (distance) C4'-P energy: -12.061 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -14.147 flat angles P-C4'-P energy: -5.887 tors. eta vs tors. theta energy: -12.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -143.004130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.004130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.004130 (E_RNA) where: Base-Base interactions energy: -76.976 where: short stacking energy: -52.476 Base-Backbone interact. energy: -0.890 local terms energy: -65.138239 where: bonds (distance) C4'-P energy: -12.554 bonds (distance) P-C4' energy: -13.482 flat angles C4'-P-C4' energy: -13.537 flat angles P-C4'-P energy: -9.009 tors. eta vs tors. theta energy: -16.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -82.301483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.301483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.301483 (E_RNA) where: Base-Base interactions energy: -39.186 where: short stacking energy: -28.813 Base-Backbone interact. energy: -0.020 local terms energy: -43.094974 where: bonds (distance) C4'-P energy: -9.140 bonds (distance) P-C4' energy: -14.171 flat angles C4'-P-C4' energy: -14.353 flat angles P-C4'-P energy: -7.175 tors. eta vs tors. theta energy: 1.743 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: 10 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -86.451045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.451045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.451045 (E_RNA) where: Base-Base interactions energy: -39.513 where: short stacking energy: -39.513 Base-Backbone interact. energy: -0.783 local terms energy: -46.154342 where: bonds (distance) C4'-P energy: -9.247 bonds (distance) P-C4' energy: -6.520 flat angles C4'-P-C4' energy: -11.179 flat angles P-C4'-P energy: -11.885 tors. eta vs tors. theta energy: -7.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -88.009068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.009068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.009068 (E_RNA) where: Base-Base interactions energy: -40.894 where: short stacking energy: -40.819 Base-Backbone interact. energy: -0.090 local terms energy: -47.025317 where: bonds (distance) C4'-P energy: -12.662 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -10.394 flat angles P-C4'-P energy: -3.273 tors. eta vs tors. theta energy: -5.146 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: 9, replica: 1 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -76.998614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.998614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.998614 (E_RNA) where: Base-Base interactions energy: -31.420 where: short stacking energy: -30.611 Base-Backbone interact. energy: -0.114 local terms energy: -45.465005 where: bonds (distance) C4'-P energy: -12.409 bonds (distance) P-C4' energy: -9.439 flat angles C4'-P-C4' energy: -9.114 flat angles P-C4'-P energy: -9.475 tors. eta vs tors. theta energy: -5.027 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: 10, replica: 7 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -70.302929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.302929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.302929 (E_RNA) where: Base-Base interactions energy: -28.961 where: short stacking energy: -27.219 Base-Backbone interact. energy: -0.425 local terms energy: -40.917060 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -9.305 flat angles P-C4'-P energy: -5.458 tors. eta vs tors. theta energy: -6.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -170.899203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.899203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.899203 (E_RNA) where: Base-Base interactions energy: -103.420 where: short stacking energy: -66.498 Base-Backbone interact. energy: -0.029 local terms energy: -67.450274 where: bonds (distance) C4'-P energy: -10.580 bonds (distance) P-C4' energy: -13.651 flat angles C4'-P-C4' energy: -13.473 flat angles P-C4'-P energy: -12.037 tors. eta vs tors. theta energy: -17.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -162.777712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.777712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.777712 (E_RNA) where: Base-Base interactions energy: -98.787 where: short stacking energy: -65.982 Base-Backbone interact. energy: -0.089 local terms energy: -63.901132 where: bonds (distance) C4'-P energy: -12.947 bonds (distance) P-C4' energy: -14.255 flat angles C4'-P-C4' energy: -12.249 flat angles P-C4'-P energy: -9.007 tors. eta vs tors. theta energy: -15.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -150.780460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.780460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.780460 (E_RNA) where: Base-Base interactions energy: -86.002 where: short stacking energy: -49.618 Base-Backbone interact. energy: -0.000 local terms energy: -64.778102 where: bonds (distance) C4'-P energy: -13.967 bonds (distance) P-C4' energy: -12.986 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: -10.083 tors. eta vs tors. theta energy: -14.788 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: 5 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -134.748667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.748667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.748667 (E_RNA) where: Base-Base interactions energy: -79.990 where: short stacking energy: -47.303 Base-Backbone interact. energy: -0.670 local terms energy: -54.089076 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -13.741 flat angles C4'-P-C4' energy: -9.239 flat angles P-C4'-P energy: -10.381 tors. eta vs tors. theta energy: -8.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -124.990587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.990587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.990587 (E_RNA) where: Base-Base interactions energy: -78.572 where: short stacking energy: -47.435 Base-Backbone interact. energy: -0.002 local terms energy: -46.416370 where: bonds (distance) C4'-P energy: -7.910 bonds (distance) P-C4' energy: -10.112 flat angles C4'-P-C4' energy: -10.233 flat angles P-C4'-P energy: -8.391 tors. eta vs tors. theta energy: -9.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -83.377564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.377564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.377564 (E_RNA) where: Base-Base interactions energy: -31.346 where: short stacking energy: -30.315 Base-Backbone interact. energy: -0.003 local terms energy: -52.028854 where: bonds (distance) C4'-P energy: -8.546 bonds (distance) P-C4' energy: -12.992 flat angles C4'-P-C4' energy: -14.847 flat angles P-C4'-P energy: -6.664 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: 7, replica: 9 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -94.297596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.297596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.297596 (E_RNA) where: Base-Base interactions energy: -44.845 where: short stacking energy: -43.564 Base-Backbone interact. energy: -0.001 local terms energy: -49.451640 where: bonds (distance) C4'-P energy: -11.999 bonds (distance) P-C4' energy: -10.966 flat angles C4'-P-C4' energy: -10.575 flat angles P-C4'-P energy: -7.524 tors. eta vs tors. theta energy: -8.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -80.967995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.967995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.967995 (E_RNA) where: Base-Base interactions energy: -32.146 where: short stacking energy: -32.146 Base-Backbone interact. energy: -0.166 local terms energy: -48.656141 where: bonds (distance) C4'-P energy: -13.613 bonds (distance) P-C4' energy: -12.296 flat angles C4'-P-C4' energy: -11.758 flat angles P-C4'-P energy: -7.837 tors. eta vs tors. theta energy: -3.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -73.843649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.843649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.843649 (E_RNA) where: Base-Base interactions energy: -30.041 where: short stacking energy: -25.273 Base-Backbone interact. energy: 0.636 local terms energy: -44.437963 where: bonds (distance) C4'-P energy: -11.834 bonds (distance) P-C4' energy: -5.310 flat angles C4'-P-C4' energy: -9.026 flat angles P-C4'-P energy: -8.022 tors. eta vs tors. theta energy: -10.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -74.008326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.008326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.008326 (E_RNA) where: Base-Base interactions energy: -34.018 where: short stacking energy: -33.663 Base-Backbone interact. energy: -0.187 local terms energy: -39.803034 where: bonds (distance) C4'-P energy: -10.498 bonds (distance) P-C4' energy: -9.136 flat angles C4'-P-C4' energy: -9.599 flat angles P-C4'-P energy: -7.938 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -165.241527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.241527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.241527 (E_RNA) where: Base-Base interactions energy: -104.953 where: short stacking energy: -59.828 Base-Backbone interact. energy: 0.906 local terms energy: -61.194149 where: bonds (distance) C4'-P energy: -8.522 bonds (distance) P-C4' energy: -12.201 flat angles C4'-P-C4' energy: -15.631 flat angles P-C4'-P energy: -8.307 tors. eta vs tors. theta energy: -16.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -159.159071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.159071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.159071 (E_RNA) where: Base-Base interactions energy: -98.571 where: short stacking energy: -59.732 Base-Backbone interact. energy: -0.002 local terms energy: -60.585442 where: bonds (distance) C4'-P energy: -11.908 bonds (distance) P-C4' energy: -13.368 flat angles C4'-P-C4' energy: -10.394 flat angles P-C4'-P energy: -9.210 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: 3, replica: 4 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -142.354481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.354481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.354481 (E_RNA) where: Base-Base interactions energy: -81.118 where: short stacking energy: -53.994 Base-Backbone interact. energy: 0.895 local terms energy: -62.131579 where: bonds (distance) C4'-P energy: -13.590 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -13.528 flat angles P-C4'-P energy: -10.055 tors. eta vs tors. theta energy: -9.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -139.329856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.329856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.329856 (E_RNA) where: Base-Base interactions energy: -81.393 where: short stacking energy: -48.722 Base-Backbone interact. energy: -0.439 local terms energy: -57.497716 where: bonds (distance) C4'-P energy: -12.261 bonds (distance) P-C4' energy: -11.778 flat angles C4'-P-C4' energy: -11.619 flat angles P-C4'-P energy: -9.826 tors. eta vs tors. theta energy: -12.014 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: 10 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -96.779106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.779106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.779106 (E_RNA) where: Base-Base interactions energy: -39.487 where: short stacking energy: -35.665 Base-Backbone interact. energy: -0.351 local terms energy: -56.941271 where: bonds (distance) C4'-P energy: -12.025 bonds (distance) P-C4' energy: -16.457 flat angles C4'-P-C4' energy: -12.703 flat angles P-C4'-P energy: -9.641 tors. eta vs tors. theta energy: -6.116 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: 6, replica: 2 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -125.902082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.902082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.902082 (E_RNA) where: Base-Base interactions energy: -72.504 where: short stacking energy: -41.575 Base-Backbone interact. energy: -0.286 local terms energy: -53.112136 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -11.688 flat angles C4'-P-C4' energy: -13.767 flat angles P-C4'-P energy: -7.310 tors. eta vs tors. theta energy: -7.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -106.982369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.982369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.982369 (E_RNA) where: Base-Base interactions energy: -56.922 where: short stacking energy: -44.087 Base-Backbone interact. energy: -0.138 local terms energy: -49.922292 where: bonds (distance) C4'-P energy: -9.677 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -10.703 flat angles P-C4'-P energy: -6.998 tors. eta vs tors. theta energy: -9.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -86.859127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.859127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.859127 (E_RNA) where: Base-Base interactions energy: -42.341 where: short stacking energy: -28.252 Base-Backbone interact. energy: -0.060 local terms energy: -44.458150 where: bonds (distance) C4'-P energy: -8.725 bonds (distance) P-C4' energy: -14.718 flat angles C4'-P-C4' energy: -10.943 flat angles P-C4'-P energy: -9.008 tors. eta vs tors. theta energy: -1.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -87.294652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.294652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.294652 (E_RNA) where: Base-Base interactions energy: -37.496 where: short stacking energy: -37.496 Base-Backbone interact. energy: -0.025 local terms energy: -49.773244 where: bonds (distance) C4'-P energy: -14.458 bonds (distance) P-C4' energy: -13.120 flat angles C4'-P-C4' energy: -10.398 flat angles P-C4'-P energy: -6.366 tors. eta vs tors. theta energy: -5.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -70.782653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.782653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.782653 (E_RNA) where: Base-Base interactions energy: -30.129 where: short stacking energy: -30.129 Base-Backbone interact. energy: -0.179 local terms energy: -40.474789 where: bonds (distance) C4'-P energy: -11.723 bonds (distance) P-C4' energy: -8.276 flat angles C4'-P-C4' energy: -12.244 flat angles P-C4'-P energy: -3.023 tors. eta vs tors. theta energy: -5.210 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: 1, replica: 3 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -150.502207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.502207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.502207 (E_RNA) where: Base-Base interactions energy: -90.517 where: short stacking energy: -62.594 Base-Backbone interact. energy: -0.044 local terms energy: -59.940582 where: bonds (distance) C4'-P energy: -9.033 bonds (distance) P-C4' energy: -14.016 flat angles C4'-P-C4' energy: -14.367 flat angles P-C4'-P energy: -11.772 tors. eta vs tors. theta energy: -10.751 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: 6 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -153.904775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.904775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.904775 (E_RNA) where: Base-Base interactions energy: -91.583 where: short stacking energy: -59.610 Base-Backbone interact. energy: -0.003 local terms energy: -62.319200 where: bonds (distance) C4'-P energy: -14.053 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -13.374 flat angles P-C4'-P energy: -7.728 tors. eta vs tors. theta energy: -13.545 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: 4 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -144.247026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.247026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.247026 (E_RNA) where: Base-Base interactions energy: -88.476 where: short stacking energy: -55.499 Base-Backbone interact. energy: -0.002 local terms energy: -55.768498 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -13.486 flat angles P-C4'-P energy: -6.871 tors. eta vs tors. theta energy: -9.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -156.955653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.955653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.955653 (E_RNA) where: Base-Base interactions energy: -98.909 where: short stacking energy: -54.063 Base-Backbone interact. energy: -0.010 local terms energy: -58.036625 where: bonds (distance) C4'-P energy: -12.170 bonds (distance) P-C4' energy: -12.521 flat angles C4'-P-C4' energy: -14.680 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: -13.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -98.066118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.066118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.066118 (E_RNA) where: Base-Base interactions energy: -44.411 where: short stacking energy: -43.228 Base-Backbone interact. energy: -0.047 local terms energy: -53.607680 where: bonds (distance) C4'-P energy: -13.933 bonds (distance) P-C4' energy: -13.803 flat angles C4'-P-C4' energy: -10.726 flat angles P-C4'-P energy: -7.069 tors. eta vs tors. theta energy: -8.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -116.645983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.645983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.645983 (E_RNA) where: Base-Base interactions energy: -64.771 where: short stacking energy: -46.887 Base-Backbone interact. energy: -0.089 local terms energy: -51.786079 where: bonds (distance) C4'-P energy: -8.220 bonds (distance) P-C4' energy: -14.171 flat angles C4'-P-C4' energy: -9.792 flat angles P-C4'-P energy: -8.757 tors. eta vs tors. theta energy: -10.846 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: 9 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -89.158409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.158409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.158409 (E_RNA) where: Base-Base interactions energy: -33.796 where: short stacking energy: -32.052 Base-Backbone interact. energy: -0.092 local terms energy: -55.270506 where: bonds (distance) C4'-P energy: -11.816 bonds (distance) P-C4' energy: -13.465 flat angles C4'-P-C4' energy: -11.734 flat angles P-C4'-P energy: -9.723 tors. eta vs tors. theta energy: -8.533 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: 7 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -77.942005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.942005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.942005 (E_RNA) where: Base-Base interactions energy: -36.618 where: short stacking energy: -34.338 Base-Backbone interact. energy: -0.265 local terms energy: -41.059046 where: bonds (distance) C4'-P energy: -12.926 bonds (distance) P-C4' energy: -10.119 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -5.292 tors. eta vs tors. theta energy: -6.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -95.533032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.533032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.533032 (E_RNA) where: Base-Base interactions energy: -49.183 where: short stacking energy: -26.301 Base-Backbone interact. energy: -0.012 local terms energy: -46.338360 where: bonds (distance) C4'-P energy: -9.669 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -10.080 flat angles P-C4'-P energy: -6.152 tors. eta vs tors. theta energy: -5.409 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: 8 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -77.160809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.160809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.160809 (E_RNA) where: Base-Base interactions energy: -25.913 where: short stacking energy: -25.648 Base-Backbone interact. energy: -0.127 local terms energy: -51.120341 where: bonds (distance) C4'-P energy: -13.073 bonds (distance) P-C4' energy: -10.919 flat angles C4'-P-C4' energy: -12.229 flat angles P-C4'-P energy: -10.879 tors. eta vs tors. theta energy: -4.020 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: 3 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -160.158236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.158236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.158236 (E_RNA) where: Base-Base interactions energy: -97.104 where: short stacking energy: -59.464 Base-Backbone interact. energy: -0.010 local terms energy: -63.044452 where: bonds (distance) C4'-P energy: -12.104 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -12.594 flat angles P-C4'-P energy: -11.589 tors. eta vs tors. theta energy: -12.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -168.781705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.781705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.781705 (E_RNA) where: Base-Base interactions energy: -107.925 where: short stacking energy: -66.474 Base-Backbone interact. energy: -0.011 local terms energy: -60.845716 where: bonds (distance) C4'-P energy: -12.116 bonds (distance) P-C4' energy: -11.020 flat angles C4'-P-C4' energy: -9.536 flat angles P-C4'-P energy: -8.899 tors. eta vs tors. theta energy: -19.274 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: 3, replica: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -150.719795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.719795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.719795 (E_RNA) where: Base-Base interactions energy: -90.846 where: short stacking energy: -61.281 Base-Backbone interact. energy: -0.038 local terms energy: -59.835170 where: bonds (distance) C4'-P energy: -13.294 bonds (distance) P-C4' energy: -13.332 flat angles C4'-P-C4' energy: -12.421 flat angles P-C4'-P energy: -10.358 tors. eta vs tors. theta energy: -10.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -136.220576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.220576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.220576 (E_RNA) where: Base-Base interactions energy: -77.985 where: short stacking energy: -49.300 Base-Backbone interact. energy: -0.056 local terms energy: -58.179759 where: bonds (distance) C4'-P energy: -13.854 bonds (distance) P-C4' energy: -11.545 flat angles C4'-P-C4' energy: -13.048 flat angles P-C4'-P energy: -8.780 tors. eta vs tors. theta energy: -10.952 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: 2 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -103.886256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.886256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.886256 (E_RNA) where: Base-Base interactions energy: -46.921 where: short stacking energy: -45.552 Base-Backbone interact. energy: -0.061 local terms energy: -56.904397 where: bonds (distance) C4'-P energy: -12.046 bonds (distance) P-C4' energy: -13.268 flat angles C4'-P-C4' energy: -10.071 flat angles P-C4'-P energy: -9.321 tors. eta vs tors. theta energy: -12.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -93.323751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.323751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.323751 (E_RNA) where: Base-Base interactions energy: -44.365 where: short stacking energy: -44.365 Base-Backbone interact. energy: 0.024 local terms energy: -48.983373 where: bonds (distance) C4'-P energy: -8.713 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -9.270 flat angles P-C4'-P energy: -5.873 tors. eta vs tors. theta energy: -10.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -97.857460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.857460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.857460 (E_RNA) where: Base-Base interactions energy: -44.677 where: short stacking energy: -43.881 Base-Backbone interact. energy: -0.030 local terms energy: -53.150675 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -14.388 flat angles C4'-P-C4' energy: -12.437 flat angles P-C4'-P energy: -5.949 tors. eta vs tors. theta energy: -8.087 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: 9 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -78.567525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.567525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.567525 (E_RNA) where: Base-Base interactions energy: -32.387 where: short stacking energy: -32.387 Base-Backbone interact. energy: -0.095 local terms energy: -46.086292 where: bonds (distance) C4'-P energy: -10.074 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -8.498 flat angles P-C4'-P energy: -7.772 tors. eta vs tors. theta energy: -6.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -83.087693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.087693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.087693 (E_RNA) where: Base-Base interactions energy: -43.950 where: short stacking energy: -30.196 Base-Backbone interact. energy: 1.127 local terms energy: -40.264683 where: bonds (distance) C4'-P energy: -9.725 bonds (distance) P-C4' energy: -6.464 flat angles C4'-P-C4' energy: -10.086 flat angles P-C4'-P energy: -11.059 tors. eta vs tors. theta energy: -2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -68.126178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.126178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.126178 (E_RNA) where: Base-Base interactions energy: -22.913 where: short stacking energy: -22.913 Base-Backbone interact. energy: -0.003 local terms energy: -45.210605 where: bonds (distance) C4'-P energy: -11.618 bonds (distance) P-C4' energy: -13.325 flat angles C4'-P-C4' energy: -13.315 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -3.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -160.229932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.229932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.229932 (E_RNA) where: Base-Base interactions energy: -95.810 where: short stacking energy: -57.128 Base-Backbone interact. energy: -0.528 local terms energy: -63.891075 where: bonds (distance) C4'-P energy: -15.651 bonds (distance) P-C4' energy: -12.639 flat angles C4'-P-C4' energy: -15.568 flat angles P-C4'-P energy: -8.502 tors. eta vs tors. theta energy: -11.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -150.424678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.424678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.424678 (E_RNA) where: Base-Base interactions energy: -90.956 where: short stacking energy: -52.588 Base-Backbone interact. energy: -0.037 local terms energy: -59.432082 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -10.987 flat angles C4'-P-C4' energy: -12.389 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: -12.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -140.642258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.642258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.642258 (E_RNA) where: Base-Base interactions energy: -86.110 where: short stacking energy: -56.205 Base-Backbone interact. energy: -0.832 local terms energy: -53.700111 where: bonds (distance) C4'-P energy: -9.920 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -12.761 flat angles P-C4'-P energy: -5.947 tors. eta vs tors. theta energy: -9.313 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: 4 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -145.416457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.416457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.416457 (E_RNA) where: Base-Base interactions energy: -88.069 where: short stacking energy: -55.447 Base-Backbone interact. energy: -0.010 local terms energy: -57.337115 where: bonds (distance) C4'-P energy: -11.482 bonds (distance) P-C4' energy: -13.204 flat angles C4'-P-C4' energy: -10.693 flat angles P-C4'-P energy: -7.737 tors. eta vs tors. theta energy: -14.220 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: 2 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -115.240434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.240434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.240434 (E_RNA) where: Base-Base interactions energy: -62.444 where: short stacking energy: -62.279 Base-Backbone interact. energy: -0.125 local terms energy: -52.671193 where: bonds (distance) C4'-P energy: -10.757 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -9.864 flat angles P-C4'-P energy: -8.350 tors. eta vs tors. theta energy: -9.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -99.797045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.797045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.797045 (E_RNA) where: Base-Base interactions energy: -42.829 where: short stacking energy: -41.529 Base-Backbone interact. energy: 0.062 local terms energy: -57.029790 where: bonds (distance) C4'-P energy: -11.966 bonds (distance) P-C4' energy: -15.112 flat angles C4'-P-C4' energy: -13.816 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -9.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -85.187937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.187937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.187937 (E_RNA) where: Base-Base interactions energy: -40.345 where: short stacking energy: -40.345 Base-Backbone interact. energy: -0.029 local terms energy: -44.814025 where: bonds (distance) C4'-P energy: -9.122 bonds (distance) P-C4' energy: -12.394 flat angles C4'-P-C4' energy: -7.900 flat angles P-C4'-P energy: -9.839 tors. eta vs tors. theta energy: -5.559 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: 8, replica: 9 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -83.789011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.789011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.789011 (E_RNA) where: Base-Base interactions energy: -38.688 where: short stacking energy: -35.687 Base-Backbone interact. energy: -0.098 local terms energy: -45.002408 where: bonds (distance) C4'-P energy: -13.900 bonds (distance) P-C4' energy: -11.961 flat angles C4'-P-C4' energy: -7.429 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -7.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -77.754072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.754072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.754072 (E_RNA) where: Base-Base interactions energy: -28.413 where: short stacking energy: -15.546 Base-Backbone interact. energy: -0.125 local terms energy: -49.215457 where: bonds (distance) C4'-P energy: -14.520 bonds (distance) P-C4' energy: -12.473 flat angles C4'-P-C4' energy: -9.961 flat angles P-C4'-P energy: -10.521 tors. eta vs tors. theta energy: -1.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -66.854602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.854602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.854602 (E_RNA) where: Base-Base interactions energy: -29.052 where: short stacking energy: -25.846 Base-Backbone interact. energy: -0.054 local terms energy: -37.748851 where: bonds (distance) C4'-P energy: -10.330 bonds (distance) P-C4' energy: -7.619 flat angles C4'-P-C4' energy: -11.013 flat angles P-C4'-P energy: -7.500 tors. eta vs tors. theta energy: -1.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -149.220751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.220751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.220751 (E_RNA) where: Base-Base interactions energy: -90.364 where: short stacking energy: -54.828 Base-Backbone interact. energy: -1.366 local terms energy: -57.490034 where: bonds (distance) C4'-P energy: -14.218 bonds (distance) P-C4' energy: -13.219 flat angles C4'-P-C4' energy: -13.343 flat angles P-C4'-P energy: -10.024 tors. eta vs tors. theta energy: -6.686 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: 3 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -166.929380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.929380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.929380 (E_RNA) where: Base-Base interactions energy: -100.769 where: short stacking energy: -66.238 Base-Backbone interact. energy: -0.001 local terms energy: -66.159416 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -12.908 flat angles P-C4'-P energy: -7.676 tors. eta vs tors. theta energy: -18.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -146.105222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.105222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.105222 (E_RNA) where: Base-Base interactions energy: -88.920 where: short stacking energy: -55.624 Base-Backbone interact. energy: -0.120 local terms energy: -57.065339 where: bonds (distance) C4'-P energy: -12.248 bonds (distance) P-C4' energy: -10.052 flat angles C4'-P-C4' energy: -13.895 flat angles P-C4'-P energy: -9.308 tors. eta vs tors. theta energy: -11.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -138.226892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.226892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.226892 (E_RNA) where: Base-Base interactions energy: -81.603 where: short stacking energy: -57.859 Base-Backbone interact. energy: 1.758 local terms energy: -58.382781 where: bonds (distance) C4'-P energy: -14.379 bonds (distance) P-C4' energy: -12.661 flat angles C4'-P-C4' energy: -13.057 flat angles P-C4'-P energy: -7.514 tors. eta vs tors. theta energy: -10.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -106.719980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.719980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.719980 (E_RNA) where: Base-Base interactions energy: -51.042 where: short stacking energy: -46.682 Base-Backbone interact. energy: -0.021 local terms energy: -55.656870 where: bonds (distance) C4'-P energy: -9.772 bonds (distance) P-C4' energy: -12.087 flat angles C4'-P-C4' energy: -10.032 flat angles P-C4'-P energy: -12.439 tors. eta vs tors. theta energy: -11.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -97.566963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.566963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.566963 (E_RNA) where: Base-Base interactions energy: -49.423 where: short stacking energy: -44.333 Base-Backbone interact. energy: 0.009 local terms energy: -48.152616 where: bonds (distance) C4'-P energy: -9.274 bonds (distance) P-C4' energy: -9.230 flat angles C4'-P-C4' energy: -12.883 flat angles P-C4'-P energy: -7.567 tors. eta vs tors. theta energy: -9.197 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: 9 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -97.912012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.912012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.912012 (E_RNA) where: Base-Base interactions energy: -42.443 where: short stacking energy: -42.443 Base-Backbone interact. energy: -0.111 local terms energy: -55.357857 where: bonds (distance) C4'-P energy: -15.054 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -12.039 flat angles P-C4'-P energy: -6.705 tors. eta vs tors. theta energy: -7.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -77.828238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.828238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.828238 (E_RNA) where: Base-Base interactions energy: -31.458 where: short stacking energy: -29.268 Base-Backbone interact. energy: -0.090 local terms energy: -46.280619 where: bonds (distance) C4'-P energy: -10.227 bonds (distance) P-C4' energy: -16.944 flat angles C4'-P-C4' energy: -9.579 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: -1.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -78.102465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.102465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.102465 (E_RNA) where: Base-Base interactions energy: -28.806 where: short stacking energy: -28.806 Base-Backbone interact. energy: 0.022 local terms energy: -49.317925 where: bonds (distance) C4'-P energy: -10.550 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -12.617 flat angles P-C4'-P energy: -5.966 tors. eta vs tors. theta energy: -6.899 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: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -84.814353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.814353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.814353 (E_RNA) where: Base-Base interactions energy: -41.707 where: short stacking energy: -29.009 Base-Backbone interact. energy: -0.197 local terms energy: -42.909809 where: bonds (distance) C4'-P energy: -13.337 bonds (distance) P-C4' energy: -11.337 flat angles C4'-P-C4' energy: -9.045 flat angles P-C4'-P energy: -6.781 tors. eta vs tors. theta energy: -2.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -166.727742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.727742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.727742 (E_RNA) where: Base-Base interactions energy: -102.399 where: short stacking energy: -69.650 Base-Backbone interact. energy: -0.002 local terms energy: -64.325985 where: bonds (distance) C4'-P energy: -11.015 bonds (distance) P-C4' energy: -13.880 flat angles C4'-P-C4' energy: -14.892 flat angles P-C4'-P energy: -9.989 tors. eta vs tors. theta energy: -14.550 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: 2, replica: 3 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -163.924575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.924575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.924575 (E_RNA) where: Base-Base interactions energy: -99.394 where: short stacking energy: -62.374 Base-Backbone interact. energy: -0.002 local terms energy: -64.528683 where: bonds (distance) C4'-P energy: -12.815 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -9.563 flat angles P-C4'-P energy: -10.403 tors. eta vs tors. theta energy: -19.608 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: 4 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -136.099354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.099354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.099354 (E_RNA) where: Base-Base interactions energy: -78.720 where: short stacking energy: -55.375 Base-Backbone interact. energy: -0.001 local terms energy: -57.378385 where: bonds (distance) C4'-P energy: -8.828 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -14.085 flat angles P-C4'-P energy: -10.479 tors. eta vs tors. theta energy: -16.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -122.668486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.668486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.668486 (E_RNA) where: Base-Base interactions energy: -71.333 where: short stacking energy: -38.249 Base-Backbone interact. energy: 0.178 local terms energy: -51.513429 where: bonds (distance) C4'-P energy: -13.013 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -11.516 flat angles P-C4'-P energy: -11.323 tors. eta vs tors. theta energy: -2.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -112.703055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.703055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.703055 (E_RNA) where: Base-Base interactions energy: -46.310 where: short stacking energy: -46.310 Base-Backbone interact. energy: -0.029 local terms energy: -66.364171 where: bonds (distance) C4'-P energy: -14.885 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -14.693 flat angles P-C4'-P energy: -12.181 tors. eta vs tors. theta energy: -11.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -95.939849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.939849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.939849 (E_RNA) where: Base-Base interactions energy: -47.323 where: short stacking energy: -46.511 Base-Backbone interact. energy: -0.124 local terms energy: -48.492347 where: bonds (distance) C4'-P energy: -12.285 bonds (distance) P-C4' energy: -12.743 flat angles C4'-P-C4' energy: -10.313 flat angles P-C4'-P energy: -5.237 tors. eta vs tors. theta energy: -7.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -94.638146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.638146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.638146 (E_RNA) where: Base-Base interactions energy: -36.489 where: short stacking energy: -36.489 Base-Backbone interact. energy: -0.001 local terms energy: -58.148352 where: bonds (distance) C4'-P energy: -12.007 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -11.397 flat angles P-C4'-P energy: -7.388 tors. eta vs tors. theta energy: -12.527 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: 1 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -89.044575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.044575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.044575 (E_RNA) where: Base-Base interactions energy: -37.949 where: short stacking energy: -38.195 Base-Backbone interact. energy: -0.332 local terms energy: -50.763679 where: bonds (distance) C4'-P energy: -9.504 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -9.378 flat angles P-C4'-P energy: -7.674 tors. eta vs tors. theta energy: -7.976 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: 10 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -89.488391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.488391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.488391 (E_RNA) where: Base-Base interactions energy: -38.825 where: short stacking energy: -36.526 Base-Backbone interact. energy: -0.110 local terms energy: -50.553021 where: bonds (distance) C4'-P energy: -12.380 bonds (distance) P-C4' energy: -12.020 flat angles C4'-P-C4' energy: -12.070 flat angles P-C4'-P energy: -7.269 tors. eta vs tors. theta energy: -6.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -86.578681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.578681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.578681 (E_RNA) where: Base-Base interactions energy: -46.606 where: short stacking energy: -23.661 Base-Backbone interact. energy: -0.530 local terms energy: -39.442378 where: bonds (distance) C4'-P energy: -9.173 bonds (distance) P-C4' energy: -10.346 flat angles C4'-P-C4' energy: -6.467 flat angles P-C4'-P energy: -8.619 tors. eta vs tors. theta energy: -4.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -167.079586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.079586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.079586 (E_RNA) where: Base-Base interactions energy: -100.979 where: short stacking energy: -67.805 Base-Backbone interact. energy: -0.186 local terms energy: -65.914617 where: bonds (distance) C4'-P energy: -13.374 bonds (distance) P-C4' energy: -11.817 flat angles C4'-P-C4' energy: -14.552 flat angles P-C4'-P energy: -9.083 tors. eta vs tors. theta energy: -17.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -154.556535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.556535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.556535 (E_RNA) where: Base-Base interactions energy: -94.097 where: short stacking energy: -53.830 Base-Backbone interact. energy: 0.114 local terms energy: -60.572886 where: bonds (distance) C4'-P energy: -13.226 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -12.916 flat angles P-C4'-P energy: -8.321 tors. eta vs tors. theta energy: -12.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -156.839887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.839887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.839887 (E_RNA) where: Base-Base interactions energy: -98.100 where: short stacking energy: -49.717 Base-Backbone interact. energy: -0.008 local terms energy: -58.731620 where: bonds (distance) C4'-P energy: -9.036 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -13.151 flat angles P-C4'-P energy: -10.488 tors. eta vs tors. theta energy: -11.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -134.267227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.267227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.267227 (E_RNA) where: Base-Base interactions energy: -79.770 where: short stacking energy: -51.521 Base-Backbone interact. energy: -0.462 local terms energy: -54.035432 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -9.175 flat angles C4'-P-C4' energy: -13.507 flat angles P-C4'-P energy: -8.512 tors. eta vs tors. theta energy: -9.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -93.205587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.205587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.205587 (E_RNA) where: Base-Base interactions energy: -33.849 where: short stacking energy: -33.849 Base-Backbone interact. energy: -0.739 local terms energy: -58.617256 where: bonds (distance) C4'-P energy: -15.696 bonds (distance) P-C4' energy: -13.986 flat angles C4'-P-C4' energy: -13.944 flat angles P-C4'-P energy: -8.956 tors. eta vs tors. theta energy: -6.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -105.406997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.406997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.406997 (E_RNA) where: Base-Base interactions energy: -45.361 where: short stacking energy: -45.361 Base-Backbone interact. energy: -0.017 local terms energy: -60.028490 where: bonds (distance) C4'-P energy: -14.379 bonds (distance) P-C4' energy: -14.044 flat angles C4'-P-C4' energy: -15.016 flat angles P-C4'-P energy: -9.720 tors. eta vs tors. theta energy: -6.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -92.267321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.267321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.267321 (E_RNA) where: Base-Base interactions energy: -42.463 where: short stacking energy: -42.463 Base-Backbone interact. energy: -0.060 local terms energy: -49.744230 where: bonds (distance) C4'-P energy: -10.559 bonds (distance) P-C4' energy: -11.221 flat angles C4'-P-C4' energy: -11.237 flat angles P-C4'-P energy: -8.270 tors. eta vs tors. theta energy: -8.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -82.131239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.131239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.131239 (E_RNA) where: Base-Base interactions energy: -32.937 where: short stacking energy: -32.937 Base-Backbone interact. energy: 0.480 local terms energy: -49.674326 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -12.225 flat angles C4'-P-C4' energy: -11.504 flat angles P-C4'-P energy: -7.111 tors. eta vs tors. theta energy: -6.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -72.479956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.479956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.479956 (E_RNA) where: Base-Base interactions energy: -28.339 where: short stacking energy: -26.604 Base-Backbone interact. energy: -0.012 local terms energy: -44.128269 where: bonds (distance) C4'-P energy: -9.785 bonds (distance) P-C4' energy: -12.940 flat angles C4'-P-C4' energy: -12.756 flat angles P-C4'-P energy: -9.691 tors. eta vs tors. theta energy: 1.044 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: 10 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -68.964874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.964874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.964874 (E_RNA) where: Base-Base interactions energy: -20.669 where: short stacking energy: -20.533 Base-Backbone interact. energy: -0.128 local terms energy: -48.167749 where: bonds (distance) C4'-P energy: -11.725 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -10.668 flat angles P-C4'-P energy: -7.665 tors. eta vs tors. theta energy: -5.053 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: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -153.907635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.907635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.907635 (E_RNA) where: Base-Base interactions energy: -88.201 where: short stacking energy: -64.521 Base-Backbone interact. energy: -0.154 local terms energy: -65.553176 where: bonds (distance) C4'-P energy: -11.921 bonds (distance) P-C4' energy: -14.280 flat angles C4'-P-C4' energy: -13.802 flat angles P-C4'-P energy: -9.972 tors. eta vs tors. theta energy: -15.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -156.600605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.600605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.600605 (E_RNA) where: Base-Base interactions energy: -96.093 where: short stacking energy: -59.228 Base-Backbone interact. energy: -0.107 local terms energy: -60.400715 where: bonds (distance) C4'-P energy: -11.233 bonds (distance) P-C4' energy: -11.704 flat angles C4'-P-C4' energy: -16.189 flat angles P-C4'-P energy: -9.363 tors. eta vs tors. theta energy: -11.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -146.206448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.206448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.206448 (E_RNA) where: Base-Base interactions energy: -91.538 where: short stacking energy: -52.387 Base-Backbone interact. energy: -0.000 local terms energy: -54.668380 where: bonds (distance) C4'-P energy: -13.770 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -9.208 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: -12.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -137.137582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.137582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.137582 (E_RNA) where: Base-Base interactions energy: -75.351 where: short stacking energy: -45.895 Base-Backbone interact. energy: 0.662 local terms energy: -62.448494 where: bonds (distance) C4'-P energy: -12.582 bonds (distance) P-C4' energy: -13.830 flat angles C4'-P-C4' energy: -13.817 flat angles P-C4'-P energy: -11.803 tors. eta vs tors. theta energy: -10.416 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: 9 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -105.537815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.537815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.537815 (E_RNA) where: Base-Base interactions energy: -47.122 where: short stacking energy: -43.491 Base-Backbone interact. energy: -0.018 local terms energy: -58.397845 where: bonds (distance) C4'-P energy: -10.518 bonds (distance) P-C4' energy: -13.903 flat angles C4'-P-C4' energy: -14.705 flat angles P-C4'-P energy: -9.113 tors. eta vs tors. theta energy: -10.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -98.510776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.510776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.510776 (E_RNA) where: Base-Base interactions energy: -48.050 where: short stacking energy: -33.765 Base-Backbone interact. energy: 0.846 local terms energy: -51.306615 where: bonds (distance) C4'-P energy: -12.822 bonds (distance) P-C4' energy: -10.758 flat angles C4'-P-C4' energy: -9.908 flat angles P-C4'-P energy: -9.673 tors. eta vs tors. theta energy: -8.145 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: 7 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -99.650691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.650691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.650691 (E_RNA) where: Base-Base interactions energy: -43.576 where: short stacking energy: -43.576 Base-Backbone interact. energy: -0.003 local terms energy: -56.071858 where: bonds (distance) C4'-P energy: -14.057 bonds (distance) P-C4' energy: -12.967 flat angles C4'-P-C4' energy: -13.306 flat angles P-C4'-P energy: -7.409 tors. eta vs tors. theta energy: -8.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -80.986533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.986533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.986533 (E_RNA) where: Base-Base interactions energy: -41.433 where: short stacking energy: -38.888 Base-Backbone interact. energy: -0.359 local terms energy: -39.194503 where: bonds (distance) C4'-P energy: -9.404 bonds (distance) P-C4' energy: -9.923 flat angles C4'-P-C4' energy: -9.312 flat angles P-C4'-P energy: -9.265 tors. eta vs tors. theta energy: -1.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -78.305340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.305340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.305340 (E_RNA) where: Base-Base interactions energy: -28.865 where: short stacking energy: -28.865 Base-Backbone interact. energy: -0.075 local terms energy: -49.365307 where: bonds (distance) C4'-P energy: -12.348 bonds (distance) P-C4' energy: -10.310 flat angles C4'-P-C4' energy: -10.543 flat angles P-C4'-P energy: -10.683 tors. eta vs tors. theta energy: -5.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -69.795056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.795056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.795056 (E_RNA) where: Base-Base interactions energy: -30.039 where: short stacking energy: -21.289 Base-Backbone interact. energy: -0.100 local terms energy: -39.655765 where: bonds (distance) C4'-P energy: -12.194 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -8.404 flat angles P-C4'-P energy: -5.410 tors. eta vs tors. theta energy: 1.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -154.469126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.469126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.469126 (E_RNA) where: Base-Base interactions energy: -92.375 where: short stacking energy: -59.547 Base-Backbone interact. energy: -0.003 local terms energy: -62.091465 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -14.081 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -8.925 tors. eta vs tors. theta energy: -11.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -159.225441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.225441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.225441 (E_RNA) where: Base-Base interactions energy: -97.668 where: short stacking energy: -58.745 Base-Backbone interact. energy: 0.028 local terms energy: -61.585095 where: bonds (distance) C4'-P energy: -11.316 bonds (distance) P-C4' energy: -11.169 flat angles C4'-P-C4' energy: -15.042 flat angles P-C4'-P energy: -10.002 tors. eta vs tors. theta energy: -14.056 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: 5 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -157.606388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.606388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.606388 (E_RNA) where: Base-Base interactions energy: -93.768 where: short stacking energy: -51.825 Base-Backbone interact. energy: -0.621 local terms energy: -63.217968 where: bonds (distance) C4'-P energy: -11.531 bonds (distance) P-C4' energy: -12.632 flat angles C4'-P-C4' energy: -13.607 flat angles P-C4'-P energy: -8.556 tors. eta vs tors. theta energy: -16.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -128.218741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.218741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.218741 (E_RNA) where: Base-Base interactions energy: -74.228 where: short stacking energy: -41.505 Base-Backbone interact. energy: 1.483 local terms energy: -55.473958 where: bonds (distance) C4'-P energy: -11.147 bonds (distance) P-C4' energy: -14.388 flat angles C4'-P-C4' energy: -11.792 flat angles P-C4'-P energy: -9.007 tors. eta vs tors. theta energy: -9.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -91.192093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.192093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.192093 (E_RNA) where: Base-Base interactions energy: -39.930 where: short stacking energy: -28.530 Base-Backbone interact. energy: -0.076 local terms energy: -51.185682 where: bonds (distance) C4'-P energy: -14.164 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -13.859 flat angles P-C4'-P energy: -9.225 tors. eta vs tors. theta energy: -0.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -102.446847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.446847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.446847 (E_RNA) where: Base-Base interactions energy: -49.675 where: short stacking energy: -49.675 Base-Backbone interact. energy: -0.046 local terms energy: -52.726269 where: bonds (distance) C4'-P energy: -10.132 bonds (distance) P-C4' energy: -11.630 flat angles C4'-P-C4' energy: -10.808 flat angles P-C4'-P energy: -7.630 tors. eta vs tors. theta energy: -12.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -79.428278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.428278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.428278 (E_RNA) where: Base-Base interactions energy: -31.210 where: short stacking energy: -31.210 Base-Backbone interact. energy: 0.413 local terms energy: -48.630832 where: bonds (distance) C4'-P energy: -13.999 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -11.313 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -5.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -82.073669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.073669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.073669 (E_RNA) where: Base-Base interactions energy: -33.853 where: short stacking energy: -33.853 Base-Backbone interact. energy: 0.196 local terms energy: -48.416799 where: bonds (distance) C4'-P energy: -13.915 bonds (distance) P-C4' energy: -10.810 flat angles C4'-P-C4' energy: -12.651 flat angles P-C4'-P energy: -11.697 tors. eta vs tors. theta energy: 0.656 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: 112 Temperature: 1.300000 Total energy: -97.715989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.715989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.715989 (E_RNA) where: Base-Base interactions energy: -46.042 where: short stacking energy: -41.839 Base-Backbone interact. energy: -0.139 local terms energy: -51.535284 where: bonds (distance) C4'-P energy: -12.868 bonds (distance) P-C4' energy: -12.453 flat angles C4'-P-C4' energy: -13.567 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -7.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -81.424052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.424052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.424052 (E_RNA) where: Base-Base interactions energy: -36.237 where: short stacking energy: -33.651 Base-Backbone interact. energy: 4.174 local terms energy: -49.361001 where: bonds (distance) C4'-P energy: -15.046 bonds (distance) P-C4' energy: -14.088 flat angles C4'-P-C4' energy: -10.487 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -6.353 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: 3 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -157.864990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.864990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.864990 (E_RNA) where: Base-Base interactions energy: -93.582 where: short stacking energy: -57.784 Base-Backbone interact. energy: -0.005 local terms energy: -64.277874 where: bonds (distance) C4'-P energy: -11.808 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -13.209 flat angles P-C4'-P energy: -9.507 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: 2, replica: 5 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -139.108432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.108432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.108432 (E_RNA) where: Base-Base interactions energy: -80.513 where: short stacking energy: -49.213 Base-Backbone interact. energy: 0.004 local terms energy: -58.599498 where: bonds (distance) C4'-P energy: -13.436 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -11.765 flat angles P-C4'-P energy: -9.919 tors. eta vs tors. theta energy: -8.616 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: 4 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -157.906733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.906733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.906733 (E_RNA) where: Base-Base interactions energy: -93.277 where: short stacking energy: -60.395 Base-Backbone interact. energy: -0.478 local terms energy: -64.151967 where: bonds (distance) C4'-P energy: -11.876 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -10.063 flat angles P-C4'-P energy: -9.787 tors. eta vs tors. theta energy: -17.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -134.691572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.691572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.691572 (E_RNA) where: Base-Base interactions energy: -82.681 where: short stacking energy: -46.911 Base-Backbone interact. energy: 0.002 local terms energy: -52.012471 where: bonds (distance) C4'-P energy: -12.828 bonds (distance) P-C4' energy: -12.033 flat angles C4'-P-C4' energy: -11.351 flat angles P-C4'-P energy: -6.535 tors. eta vs tors. theta energy: -9.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -101.013472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.013472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.013472 (E_RNA) where: Base-Base interactions energy: -47.762 where: short stacking energy: -36.692 Base-Backbone interact. energy: -0.052 local terms energy: -53.199305 where: bonds (distance) C4'-P energy: -13.399 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -12.179 flat angles P-C4'-P energy: -5.764 tors. eta vs tors. theta energy: -8.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -93.830272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.830272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.830272 (E_RNA) where: Base-Base interactions energy: -45.721 where: short stacking energy: -45.721 Base-Backbone interact. energy: -0.074 local terms energy: -48.035207 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -13.724 flat angles P-C4'-P energy: -7.604 tors. eta vs tors. theta energy: -5.695 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: 9 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -88.472903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.472903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.472903 (E_RNA) where: Base-Base interactions energy: -39.248 where: short stacking energy: -39.248 Base-Backbone interact. energy: -0.016 local terms energy: -49.209043 where: bonds (distance) C4'-P energy: -9.593 bonds (distance) P-C4' energy: -14.439 flat angles C4'-P-C4' energy: -12.260 flat angles P-C4'-P energy: -6.402 tors. eta vs tors. theta energy: -6.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -82.949384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.949384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.949384 (E_RNA) where: Base-Base interactions energy: -35.621 where: short stacking energy: -32.501 Base-Backbone interact. energy: -0.097 local terms energy: -47.231661 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -12.078 flat angles P-C4'-P energy: -1.302 tors. eta vs tors. theta energy: -5.866 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: 9, replica: 7 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -80.324891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.324891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.324891 (E_RNA) where: Base-Base interactions energy: -38.889 where: short stacking energy: -28.240 Base-Backbone interact. energy: -0.128 local terms energy: -41.308384 where: bonds (distance) C4'-P energy: -11.350 bonds (distance) P-C4' energy: -11.474 flat angles C4'-P-C4' energy: -9.875 flat angles P-C4'-P energy: -8.402 tors. eta vs tors. theta energy: -0.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -81.970308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.970308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.970308 (E_RNA) where: Base-Base interactions energy: -35.881 where: short stacking energy: -35.881 Base-Backbone interact. energy: -0.092 local terms energy: -45.996589 where: bonds (distance) C4'-P energy: -14.081 bonds (distance) P-C4' energy: -3.955 flat angles C4'-P-C4' energy: -10.126 flat angles P-C4'-P energy: -9.486 tors. eta vs tors. theta energy: -8.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -153.683416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.683416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.683416 (E_RNA) where: Base-Base interactions energy: -90.661 where: short stacking energy: -58.435 Base-Backbone interact. energy: -0.065 local terms energy: -62.956806 where: bonds (distance) C4'-P energy: -12.637 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -14.262 flat angles P-C4'-P energy: -10.495 tors. eta vs tors. theta energy: -10.612 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: 3 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -158.441970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.441970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.441970 (E_RNA) where: Base-Base interactions energy: -95.681 where: short stacking energy: -61.930 Base-Backbone interact. energy: -0.019 local terms energy: -62.741965 where: bonds (distance) C4'-P energy: -13.502 bonds (distance) P-C4' energy: -12.240 flat angles C4'-P-C4' energy: -11.328 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -16.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -158.722980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.722980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.722980 (E_RNA) where: Base-Base interactions energy: -95.378 where: short stacking energy: -63.266 Base-Backbone interact. energy: -0.279 local terms energy: -63.065697 where: bonds (distance) C4'-P energy: -12.733 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -10.326 tors. eta vs tors. theta energy: -18.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -147.562211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.562211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.562211 (E_RNA) where: Base-Base interactions energy: -88.880 where: short stacking energy: -58.005 Base-Backbone interact. energy: -0.642 local terms energy: -58.039538 where: bonds (distance) C4'-P energy: -8.704 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -12.668 flat angles P-C4'-P energy: -8.811 tors. eta vs tors. theta energy: -13.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -103.458125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.458125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.458125 (E_RNA) where: Base-Base interactions energy: -44.097 where: short stacking energy: -40.313 Base-Backbone interact. energy: -0.802 local terms energy: -58.558638 where: bonds (distance) C4'-P energy: -12.720 bonds (distance) P-C4' energy: -13.870 flat angles C4'-P-C4' energy: -12.407 flat angles P-C4'-P energy: -9.091 tors. eta vs tors. theta energy: -10.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -90.292606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.292606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.292606 (E_RNA) where: Base-Base interactions energy: -39.477 where: short stacking energy: -32.740 Base-Backbone interact. energy: 0.223 local terms energy: -51.038534 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -10.342 flat angles C4'-P-C4' energy: -11.989 flat angles P-C4'-P energy: -10.260 tors. eta vs tors. theta energy: -5.442 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: 9 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -73.357866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.357866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.357866 (E_RNA) where: Base-Base interactions energy: -29.333 where: short stacking energy: -22.101 Base-Backbone interact. energy: -0.133 local terms energy: -43.891390 where: bonds (distance) C4'-P energy: -13.978 bonds (distance) P-C4' energy: -10.002 flat angles C4'-P-C4' energy: -8.756 flat angles P-C4'-P energy: -10.354 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -95.731601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.731601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.731601 (E_RNA) where: Base-Base interactions energy: -50.570 where: short stacking energy: -32.843 Base-Backbone interact. energy: -0.078 local terms energy: -45.083159 where: bonds (distance) C4'-P energy: -13.208 bonds (distance) P-C4' energy: -6.557 flat angles C4'-P-C4' energy: -11.670 flat angles P-C4'-P energy: -6.820 tors. eta vs tors. theta energy: -6.828 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: 7 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -78.860057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.860057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.860057 (E_RNA) where: Base-Base interactions energy: -40.637 where: short stacking energy: -30.661 Base-Backbone interact. energy: -0.022 local terms energy: -38.200589 where: bonds (distance) C4'-P energy: -8.828 bonds (distance) P-C4' energy: -11.440 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -6.473 tors. eta vs tors. theta energy: -3.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -78.023833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.023833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.023833 (E_RNA) where: Base-Base interactions energy: -37.276 where: short stacking energy: -35.326 Base-Backbone interact. energy: -0.061 local terms energy: -40.686910 where: bonds (distance) C4'-P energy: -9.879 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -9.950 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: -4.146 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: 5 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -163.307669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.307669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.307669 (E_RNA) where: Base-Base interactions energy: -98.847 where: short stacking energy: -64.543 Base-Backbone interact. energy: -0.079 local terms energy: -64.381730 where: bonds (distance) C4'-P energy: -13.130 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -15.149 flat angles P-C4'-P energy: -9.320 tors. eta vs tors. theta energy: -14.202 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: 3 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -159.580722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.580722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.580722 (E_RNA) where: Base-Base interactions energy: -88.968 where: short stacking energy: -57.370 Base-Backbone interact. energy: -0.090 local terms energy: -70.522988 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -15.378 flat angles P-C4'-P energy: -9.490 tors. eta vs tors. theta energy: -18.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -156.134965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.134965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.134965 (E_RNA) where: Base-Base interactions energy: -93.337 where: short stacking energy: -56.298 Base-Backbone interact. energy: -1.192 local terms energy: -61.605634 where: bonds (distance) C4'-P energy: -14.160 bonds (distance) P-C4' energy: -12.210 flat angles C4'-P-C4' energy: -11.265 flat angles P-C4'-P energy: -11.114 tors. eta vs tors. theta energy: -12.857 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: 6 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -145.348133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.348133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.348133 (E_RNA) where: Base-Base interactions energy: -86.247 where: short stacking energy: -43.478 Base-Backbone interact. energy: -0.002 local terms energy: -59.098710 where: bonds (distance) C4'-P energy: -13.730 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -12.145 flat angles P-C4'-P energy: -7.349 tors. eta vs tors. theta energy: -12.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -116.683653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.683653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.683653 (E_RNA) where: Base-Base interactions energy: -61.139 where: short stacking energy: -61.139 Base-Backbone interact. energy: -0.041 local terms energy: -55.504058 where: bonds (distance) C4'-P energy: -9.892 bonds (distance) P-C4' energy: -10.700 flat angles C4'-P-C4' energy: -13.019 flat angles P-C4'-P energy: -9.162 tors. eta vs tors. theta energy: -12.730 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: 115 Temperature: 1.150000 Total energy: -95.581389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.581389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.581389 (E_RNA) where: Base-Base interactions energy: -46.800 where: short stacking energy: -46.800 Base-Backbone interact. energy: -0.016 local terms energy: -48.765171 where: bonds (distance) C4'-P energy: -8.659 bonds (distance) P-C4' energy: -13.036 flat angles C4'-P-C4' energy: -8.342 flat angles P-C4'-P energy: -9.200 tors. eta vs tors. theta energy: -9.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -89.137855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.137855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.137855 (E_RNA) where: Base-Base interactions energy: -35.058 where: short stacking energy: -35.058 Base-Backbone interact. energy: -0.120 local terms energy: -53.959252 where: bonds (distance) C4'-P energy: -13.063 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -11.817 flat angles P-C4'-P energy: -6.776 tors. eta vs tors. theta energy: -8.559 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: 8, replica: 2 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -89.971832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.971832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.971832 (E_RNA) where: Base-Base interactions energy: -34.457 where: short stacking energy: -34.252 Base-Backbone interact. energy: -0.042 local terms energy: -55.472229 where: bonds (distance) C4'-P energy: -13.870 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -15.657 flat angles P-C4'-P energy: -8.103 tors. eta vs tors. theta energy: -4.975 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: 115 Temperature: 1.300000 Total energy: -85.177950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.177950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.177950 (E_RNA) where: Base-Base interactions energy: -39.574 where: short stacking energy: -39.574 Base-Backbone interact. energy: -0.182 local terms energy: -45.421977 where: bonds (distance) C4'-P energy: -10.939 bonds (distance) P-C4' energy: -13.283 flat angles C4'-P-C4' energy: -13.290 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -2.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -71.945675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.945675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.945675 (E_RNA) where: Base-Base interactions energy: -29.709 where: short stacking energy: -20.558 Base-Backbone interact. energy: -0.367 local terms energy: -41.870225 where: bonds (distance) C4'-P energy: -10.985 bonds (distance) P-C4' energy: -16.461 flat angles C4'-P-C4' energy: -9.639 flat angles P-C4'-P energy: -7.744 tors. eta vs tors. theta energy: 2.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -170.775713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.775713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.775713 (E_RNA) where: Base-Base interactions energy: -104.949 where: short stacking energy: -71.719 Base-Backbone interact. energy: -0.028 local terms energy: -65.798822 where: bonds (distance) C4'-P energy: -10.997 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -15.482 flat angles P-C4'-P energy: -9.689 tors. eta vs tors. theta energy: -16.899 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: 3 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -150.032942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.032942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.032942 (E_RNA) where: Base-Base interactions energy: -86.925 where: short stacking energy: -62.361 Base-Backbone interact. energy: -0.019 local terms energy: -63.088586 where: bonds (distance) C4'-P energy: -11.945 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -13.485 flat angles P-C4'-P energy: -9.111 tors. eta vs tors. theta energy: -13.969 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: 6 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -159.726284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.726284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.726284 (E_RNA) where: Base-Base interactions energy: -98.208 where: short stacking energy: -61.755 Base-Backbone interact. energy: -0.067 local terms energy: -61.451320 where: bonds (distance) C4'-P energy: -12.061 bonds (distance) P-C4' energy: -11.793 flat angles C4'-P-C4' energy: -12.403 flat angles P-C4'-P energy: -11.387 tors. eta vs tors. theta energy: -13.808 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: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -135.535142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.535142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.535142 (E_RNA) where: Base-Base interactions energy: -80.899 where: short stacking energy: -45.314 Base-Backbone interact. energy: -0.758 local terms energy: -53.878146 where: bonds (distance) C4'-P energy: -13.439 bonds (distance) P-C4' energy: -13.363 flat angles C4'-P-C4' energy: -13.794 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: -7.760 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: 9 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -112.513581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.513581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.513581 (E_RNA) where: Base-Base interactions energy: -57.674 where: short stacking energy: -57.674 Base-Backbone interact. energy: -0.009 local terms energy: -54.830373 where: bonds (distance) C4'-P energy: -11.395 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -10.399 flat angles P-C4'-P energy: -7.862 tors. eta vs tors. theta energy: -11.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -92.578514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.578514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.578514 (E_RNA) where: Base-Base interactions energy: -43.852 where: short stacking energy: -43.852 Base-Backbone interact. energy: -0.472 local terms energy: -48.254522 where: bonds (distance) C4'-P energy: -10.070 bonds (distance) P-C4' energy: -11.625 flat angles C4'-P-C4' energy: -10.543 flat angles P-C4'-P energy: -7.500 tors. eta vs tors. theta energy: -8.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -84.436029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.436029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.436029 (E_RNA) where: Base-Base interactions energy: -31.350 where: short stacking energy: -29.708 Base-Backbone interact. energy: -0.060 local terms energy: -53.025293 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -14.851 flat angles C4'-P-C4' energy: -14.103 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -6.500 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: 116 Temperature: 1.250000 Total energy: -80.069844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.069844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.069844 (E_RNA) where: Base-Base interactions energy: -33.399 where: short stacking energy: -29.233 Base-Backbone interact. energy: -0.279 local terms energy: -46.391300 where: bonds (distance) C4'-P energy: -11.891 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -9.255 flat angles P-C4'-P energy: -7.436 tors. eta vs tors. theta energy: -3.405 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: 10 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -70.528991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.528991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.528991 (E_RNA) where: Base-Base interactions energy: -31.170 where: short stacking energy: -30.218 Base-Backbone interact. energy: -0.143 local terms energy: -39.215382 where: bonds (distance) C4'-P energy: -12.716 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -11.472 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: 2.222 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: 7 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -68.856238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.856238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.856238 (E_RNA) where: Base-Base interactions energy: -23.385 where: short stacking energy: -23.385 Base-Backbone interact. energy: -0.198 local terms energy: -45.273189 where: bonds (distance) C4'-P energy: -14.148 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -9.809 flat angles P-C4'-P energy: -8.359 tors. eta vs tors. theta energy: -0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -176.533693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.533693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.533693 (E_RNA) where: Base-Base interactions energy: -110.527 where: short stacking energy: -73.671 Base-Backbone interact. energy: -0.303 local terms energy: -65.703697 where: bonds (distance) C4'-P energy: -12.538 bonds (distance) P-C4' energy: -11.366 flat angles C4'-P-C4' energy: -11.947 flat angles P-C4'-P energy: -9.493 tors. eta vs tors. theta energy: -20.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -174.762252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.762252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.762252 (E_RNA) where: Base-Base interactions energy: -105.553 where: short stacking energy: -68.207 Base-Backbone interact. energy: -0.001 local terms energy: -69.207636 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -13.485 flat angles P-C4'-P energy: -9.991 tors. eta vs tors. theta energy: -17.266 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: 3 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -156.141521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.141521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.141521 (E_RNA) where: Base-Base interactions energy: -90.314 where: short stacking energy: -60.842 Base-Backbone interact. energy: -0.192 local terms energy: -65.636214 where: bonds (distance) C4'-P energy: -14.777 bonds (distance) P-C4' energy: -14.699 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -10.879 tors. eta vs tors. theta energy: -12.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -121.361293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.361293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.361293 (E_RNA) where: Base-Base interactions energy: -59.791 where: short stacking energy: -59.791 Base-Backbone interact. energy: -0.000 local terms energy: -61.569974 where: bonds (distance) C4'-P energy: -11.635 bonds (distance) P-C4' energy: -15.799 flat angles C4'-P-C4' energy: -11.394 flat angles P-C4'-P energy: -9.193 tors. eta vs tors. theta energy: -13.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -130.351305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.351305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.351305 (E_RNA) where: Base-Base interactions energy: -70.248 where: short stacking energy: -44.998 Base-Backbone interact. energy: -0.730 local terms energy: -59.373423 where: bonds (distance) C4'-P energy: -11.664 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -14.299 flat angles P-C4'-P energy: -9.464 tors. eta vs tors. theta energy: -9.322 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: 2 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -88.373265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.373265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.373265 (E_RNA) where: Base-Base interactions energy: -40.636 where: short stacking energy: -40.636 Base-Backbone interact. energy: -0.055 local terms energy: -47.682403 where: bonds (distance) C4'-P energy: -10.082 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -8.826 flat angles P-C4'-P energy: -6.757 tors. eta vs tors. theta energy: -6.714 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: 7, replica: 1 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -105.131002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.131002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.131002 (E_RNA) where: Base-Base interactions energy: -53.350 where: short stacking energy: -41.165 Base-Backbone interact. energy: -0.084 local terms energy: -51.697274 where: bonds (distance) C4'-P energy: -11.038 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -13.292 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -7.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -84.341316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.341316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.341316 (E_RNA) where: Base-Base interactions energy: -38.555 where: short stacking energy: -38.555 Base-Backbone interact. energy: -0.353 local terms energy: -45.433574 where: bonds (distance) C4'-P energy: -11.034 bonds (distance) P-C4' energy: -12.815 flat angles C4'-P-C4' energy: -9.761 flat angles P-C4'-P energy: -7.853 tors. eta vs tors. theta energy: -3.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -83.642276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.642276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.642276 (E_RNA) where: Base-Base interactions energy: -39.551 where: short stacking energy: -39.551 Base-Backbone interact. energy: -0.097 local terms energy: -43.994091 where: bonds (distance) C4'-P energy: -9.611 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -13.123 flat angles P-C4'-P energy: -8.982 tors. eta vs tors. theta energy: -3.482 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: 7 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -85.630647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.630647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.630647 (E_RNA) where: Base-Base interactions energy: -39.070 where: short stacking energy: -30.958 Base-Backbone interact. energy: -0.271 local terms energy: -46.289503 where: bonds (distance) C4'-P energy: -11.813 bonds (distance) P-C4' energy: -14.351 flat angles C4'-P-C4' energy: -10.637 flat angles P-C4'-P energy: -8.405 tors. eta vs tors. theta energy: -1.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -165.060910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.060910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.060910 (E_RNA) where: Base-Base interactions energy: -102.347 where: short stacking energy: -58.296 Base-Backbone interact. energy: -0.363 local terms energy: -62.351701 where: bonds (distance) C4'-P energy: -12.435 bonds (distance) P-C4' energy: -12.088 flat angles C4'-P-C4' energy: -14.084 flat angles P-C4'-P energy: -9.513 tors. eta vs tors. theta energy: -14.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -168.519908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.519908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.519908 (E_RNA) where: Base-Base interactions energy: -104.330 where: short stacking energy: -63.686 Base-Backbone interact. energy: -0.000 local terms energy: -64.189496 where: bonds (distance) C4'-P energy: -12.212 bonds (distance) P-C4' energy: -14.192 flat angles C4'-P-C4' energy: -11.104 flat angles P-C4'-P energy: -9.650 tors. eta vs tors. theta energy: -17.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -114.612120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.612120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.612120 (E_RNA) where: Base-Base interactions energy: -52.853 where: short stacking energy: -52.853 Base-Backbone interact. energy: -0.004 local terms energy: -61.754995 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -9.947 flat angles C4'-P-C4' energy: -13.988 flat angles P-C4'-P energy: -10.101 tors. eta vs tors. theta energy: -12.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -138.990724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.990724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.990724 (E_RNA) where: Base-Base interactions energy: -78.365 where: short stacking energy: -46.728 Base-Backbone interact. energy: -0.005 local terms energy: -60.620673 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -14.544 flat angles C4'-P-C4' energy: -12.654 flat angles P-C4'-P energy: -9.126 tors. eta vs tors. theta energy: -10.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -96.752181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.752181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.752181 (E_RNA) where: Base-Base interactions energy: -48.303 where: short stacking energy: -48.152 Base-Backbone interact. energy: -0.017 local terms energy: -48.432847 where: bonds (distance) C4'-P energy: -13.177 bonds (distance) P-C4' energy: -13.642 flat angles C4'-P-C4' energy: -12.543 flat angles P-C4'-P energy: -2.632 tors. eta vs tors. theta energy: -6.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -132.055270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.055270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.055270 (E_RNA) where: Base-Base interactions energy: -75.851 where: short stacking energy: -47.499 Base-Backbone interact. energy: -0.570 local terms energy: -55.634569 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -14.935 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -9.616 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: 7, replica: 10 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -84.083130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.083130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.083130 (E_RNA) where: Base-Base interactions energy: -37.140 where: short stacking energy: -37.140 Base-Backbone interact. energy: -0.093 local terms energy: -46.850646 where: bonds (distance) C4'-P energy: -11.925 bonds (distance) P-C4' energy: -12.448 flat angles C4'-P-C4' energy: -7.970 flat angles P-C4'-P energy: -5.813 tors. eta vs tors. theta energy: -8.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -82.286642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.286642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.286642 (E_RNA) where: Base-Base interactions energy: -32.651 where: short stacking energy: -32.651 Base-Backbone interact. energy: -0.015 local terms energy: -49.620295 where: bonds (distance) C4'-P energy: -12.807 bonds (distance) P-C4' energy: -13.196 flat angles C4'-P-C4' energy: -13.284 flat angles P-C4'-P energy: -8.200 tors. eta vs tors. theta energy: -2.134 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: 118 Temperature: 1.300000 Total energy: -77.656671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.656671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.656671 (E_RNA) where: Base-Base interactions energy: -30.200 where: short stacking energy: -30.200 Base-Backbone interact. energy: -0.235 local terms energy: -47.222348 where: bonds (distance) C4'-P energy: -13.150 bonds (distance) P-C4' energy: -11.959 flat angles C4'-P-C4' energy: -9.988 flat angles P-C4'-P energy: -7.247 tors. eta vs tors. theta energy: -4.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -73.003792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.003792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.003792 (E_RNA) where: Base-Base interactions energy: -29.586 where: short stacking energy: -28.180 Base-Backbone interact. energy: -0.068 local terms energy: -43.350268 where: bonds (distance) C4'-P energy: -10.162 bonds (distance) P-C4' energy: -13.688 flat angles C4'-P-C4' energy: -12.977 flat angles P-C4'-P energy: -6.816 tors. eta vs tors. theta energy: 0.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -167.540645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.540645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.540645 (E_RNA) where: Base-Base interactions energy: -104.926 where: short stacking energy: -68.157 Base-Backbone interact. energy: -0.216 local terms energy: -62.399371 where: bonds (distance) C4'-P energy: -13.598 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -12.296 flat angles P-C4'-P energy: -10.563 tors. eta vs tors. theta energy: -18.592 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: 2, replica: 5 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -166.931988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.931988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.931988 (E_RNA) where: Base-Base interactions energy: -103.527 where: short stacking energy: -66.271 Base-Backbone interact. energy: 0.110 local terms energy: -63.514503 where: bonds (distance) C4'-P energy: -10.265 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -13.992 flat angles P-C4'-P energy: -9.052 tors. eta vs tors. theta energy: -15.577 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: 3, replica: 9 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -111.762533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.762533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.762533 (E_RNA) where: Base-Base interactions energy: -52.495 where: short stacking energy: -52.495 Base-Backbone interact. energy: -0.029 local terms energy: -59.238694 where: bonds (distance) C4'-P energy: -13.278 bonds (distance) P-C4' energy: -14.664 flat angles C4'-P-C4' energy: -10.502 flat angles P-C4'-P energy: -7.285 tors. eta vs tors. theta energy: -13.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -137.609597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.609597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.609597 (E_RNA) where: Base-Base interactions energy: -83.254 where: short stacking energy: -47.688 Base-Backbone interact. energy: -0.100 local terms energy: -54.255450 where: bonds (distance) C4'-P energy: -14.616 bonds (distance) P-C4' energy: -9.374 flat angles C4'-P-C4' energy: -10.761 flat angles P-C4'-P energy: -9.463 tors. eta vs tors. theta energy: -10.040 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: 2 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -94.256113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.256113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.256113 (E_RNA) where: Base-Base interactions energy: -41.229 where: short stacking energy: -41.229 Base-Backbone interact. energy: -0.022 local terms energy: -53.005277 where: bonds (distance) C4'-P energy: -10.566 bonds (distance) P-C4' energy: -12.655 flat angles C4'-P-C4' energy: -14.487 flat angles P-C4'-P energy: -9.647 tors. eta vs tors. theta energy: -5.651 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: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -137.994482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.994482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.994482 (E_RNA) where: Base-Base interactions energy: -85.442 where: short stacking energy: -53.705 Base-Backbone interact. energy: -0.034 local terms energy: -52.517817 where: bonds (distance) C4'-P energy: -9.971 bonds (distance) P-C4' energy: -11.590 flat angles C4'-P-C4' energy: -14.954 flat angles P-C4'-P energy: -2.626 tors. eta vs tors. theta energy: -13.377 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: 10 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -79.162956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.162956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.162956 (E_RNA) where: Base-Base interactions energy: -37.408 where: short stacking energy: -37.408 Base-Backbone interact. energy: -0.189 local terms energy: -41.565348 where: bonds (distance) C4'-P energy: -11.760 bonds (distance) P-C4' energy: -10.839 flat angles C4'-P-C4' energy: -9.967 flat angles P-C4'-P energy: -3.162 tors. eta vs tors. theta energy: -5.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -80.281584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.281584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.281584 (E_RNA) where: Base-Base interactions energy: -32.697 where: short stacking energy: -32.697 Base-Backbone interact. energy: -0.134 local terms energy: -47.451043 where: bonds (distance) C4'-P energy: -12.218 bonds (distance) P-C4' energy: -12.238 flat angles C4'-P-C4' energy: -10.852 flat angles P-C4'-P energy: -6.179 tors. eta vs tors. theta energy: -5.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -78.483908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.483908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.483908 (E_RNA) where: Base-Base interactions energy: -38.040 where: short stacking energy: -31.105 Base-Backbone interact. energy: -0.117 local terms energy: -40.327390 where: bonds (distance) C4'-P energy: -13.958 bonds (distance) P-C4' energy: -9.925 flat angles C4'-P-C4' energy: -9.824 flat angles P-C4'-P energy: -6.828 tors. eta vs tors. theta energy: 0.208 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: 10, replica: 8 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -80.768815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.768815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.768815 (E_RNA) where: Base-Base interactions energy: -39.268 where: short stacking energy: -35.696 Base-Backbone interact. energy: -0.154 local terms energy: -41.346809 where: bonds (distance) C4'-P energy: -11.684 bonds (distance) P-C4' energy: -9.425 flat angles C4'-P-C4' energy: -8.642 flat angles P-C4'-P energy: -9.660 tors. eta vs tors. theta energy: -1.936 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: 5 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -142.707511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.707511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.707511 (E_RNA) where: Base-Base interactions energy: -83.544 where: short stacking energy: -52.857 Base-Backbone interact. energy: -0.321 local terms energy: -58.842394 where: bonds (distance) C4'-P energy: -10.836 bonds (distance) P-C4' energy: -15.178 flat angles C4'-P-C4' energy: -14.800 flat angles P-C4'-P energy: -7.533 tors. eta vs tors. theta energy: -10.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -160.230302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.230302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.230302 (E_RNA) where: Base-Base interactions energy: -97.032 where: short stacking energy: -55.295 Base-Backbone interact. energy: -0.002 local terms energy: -63.196350 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -11.796 flat angles C4'-P-C4' energy: -15.086 flat angles P-C4'-P energy: -9.396 tors. eta vs tors. theta energy: -13.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -149.879587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.879587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.879587 (E_RNA) where: Base-Base interactions energy: -93.626 where: short stacking energy: -53.641 Base-Backbone interact. energy: 0.177 local terms energy: -56.430797 where: bonds (distance) C4'-P energy: -9.523 bonds (distance) P-C4' energy: -12.909 flat angles C4'-P-C4' energy: -13.836 flat angles P-C4'-P energy: -8.413 tors. eta vs tors. theta energy: -11.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -110.127851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.127851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.127851 (E_RNA) where: Base-Base interactions energy: -48.111 where: short stacking energy: -48.111 Base-Backbone interact. energy: -0.095 local terms energy: -61.921971 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -16.185 flat angles C4'-P-C4' energy: -13.139 flat angles P-C4'-P energy: -6.487 tors. eta vs tors. theta energy: -12.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -132.302556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.302556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.302556 (E_RNA) where: Base-Base interactions energy: -80.097 where: short stacking energy: -47.519 Base-Backbone interact. energy: -0.078 local terms energy: -52.127717 where: bonds (distance) C4'-P energy: -11.771 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -8.484 flat angles P-C4'-P energy: -11.858 tors. eta vs tors. theta energy: -9.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -105.624219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.624219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.624219 (E_RNA) where: Base-Base interactions energy: -59.042 where: short stacking energy: -35.785 Base-Backbone interact. energy: 0.145 local terms energy: -46.727252 where: bonds (distance) C4'-P energy: -9.150 bonds (distance) P-C4' energy: -12.660 flat angles C4'-P-C4' energy: -11.277 flat angles P-C4'-P energy: -8.821 tors. eta vs tors. theta energy: -4.819 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: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -74.892908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.892908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.892908 (E_RNA) where: Base-Base interactions energy: -28.697 where: short stacking energy: -23.741 Base-Backbone interact. energy: -0.253 local terms energy: -45.943273 where: bonds (distance) C4'-P energy: -12.708 bonds (distance) P-C4' energy: -12.200 flat angles C4'-P-C4' energy: -14.175 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: 1.959 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: 10 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -90.340061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.340061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.340061 (E_RNA) where: Base-Base interactions energy: -46.847 where: short stacking energy: -46.829 Base-Backbone interact. energy: -0.016 local terms energy: -43.477217 where: bonds (distance) C4'-P energy: -8.459 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -11.408 flat angles P-C4'-P energy: -0.491 tors. eta vs tors. theta energy: -9.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -84.579453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.579453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.579453 (E_RNA) where: Base-Base interactions energy: -37.735 where: short stacking energy: -35.589 Base-Backbone interact. energy: -0.205 local terms energy: -46.640254 where: bonds (distance) C4'-P energy: -10.756 bonds (distance) P-C4' energy: -11.765 flat angles C4'-P-C4' energy: -10.436 flat angles P-C4'-P energy: -6.256 tors. eta vs tors. theta energy: -7.427 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: 1 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -75.355314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.355314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.355314 (E_RNA) where: Base-Base interactions energy: -33.559 where: short stacking energy: -30.568 Base-Backbone interact. energy: -0.116 local terms energy: -41.680552 where: bonds (distance) C4'-P energy: -9.495 bonds (distance) P-C4' energy: -13.188 flat angles C4'-P-C4' energy: -10.024 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -3.944 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: 5 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -138.399669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.399669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.399669 (E_RNA) where: Base-Base interactions energy: -83.436 where: short stacking energy: -52.704 Base-Backbone interact. energy: -0.438 local terms energy: -54.525282 where: bonds (distance) C4'-P energy: -13.805 bonds (distance) P-C4' energy: -11.062 flat angles C4'-P-C4' energy: -12.688 flat angles P-C4'-P energy: -9.361 tors. eta vs tors. theta energy: -7.610 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: 2, replica: 6 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -150.796196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.796196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.796196 (E_RNA) where: Base-Base interactions energy: -93.477 where: short stacking energy: -59.961 Base-Backbone interact. energy: -0.054 local terms energy: -57.264373 where: bonds (distance) C4'-P energy: -11.126 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -12.116 flat angles P-C4'-P energy: -8.354 tors. eta vs tors. theta energy: -10.576 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: 3, replica: 3 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -143.110881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.110881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.110881 (E_RNA) where: Base-Base interactions energy: -90.396 where: short stacking energy: -57.453 Base-Backbone interact. energy: -0.321 local terms energy: -52.394340 where: bonds (distance) C4'-P energy: -8.729 bonds (distance) P-C4' energy: -13.071 flat angles C4'-P-C4' energy: -10.515 flat angles P-C4'-P energy: -8.042 tors. eta vs tors. theta energy: -12.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -135.899251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.899251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.899251 (E_RNA) where: Base-Base interactions energy: -81.072 where: short stacking energy: -51.859 Base-Backbone interact. energy: -0.041 local terms energy: -54.786762 where: bonds (distance) C4'-P energy: -12.553 bonds (distance) P-C4' energy: -11.411 flat angles C4'-P-C4' energy: -12.120 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -9.830 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: 9 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -111.701863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.701863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.701863 (E_RNA) where: Base-Base interactions energy: -52.925 where: short stacking energy: -52.925 Base-Backbone interact. energy: -0.011 local terms energy: -58.765157 where: bonds (distance) C4'-P energy: -7.151 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -13.234 flat angles P-C4'-P energy: -8.533 tors. eta vs tors. theta energy: -15.420 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: 7 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -97.471834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.471834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.471834 (E_RNA) where: Base-Base interactions energy: -47.017 where: short stacking energy: -37.552 Base-Backbone interact. energy: -0.364 local terms energy: -50.090963 where: bonds (distance) C4'-P energy: -11.994 bonds (distance) P-C4' energy: -11.940 flat angles C4'-P-C4' energy: -11.282 flat angles P-C4'-P energy: -11.286 tors. eta vs tors. theta energy: -3.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -99.185257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.185257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.185257 (E_RNA) where: Base-Base interactions energy: -47.115 where: short stacking energy: -35.479 Base-Backbone interact. energy: -0.407 local terms energy: -51.663317 where: bonds (distance) C4'-P energy: -10.374 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -13.403 flat angles P-C4'-P energy: -8.010 tors. eta vs tors. theta energy: -6.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -90.221276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.221276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.221276 (E_RNA) where: Base-Base interactions energy: -42.917 where: short stacking energy: -42.917 Base-Backbone interact. energy: -0.827 local terms energy: -46.477896 where: bonds (distance) C4'-P energy: -13.758 bonds (distance) P-C4' energy: -9.852 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -10.170 tors. eta vs tors. theta energy: -5.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -76.686246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.686246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.686246 (E_RNA) where: Base-Base interactions energy: -43.507 where: short stacking energy: -43.507 Base-Backbone interact. energy: -0.020 local terms energy: -33.158390 where: bonds (distance) C4'-P energy: -3.371 bonds (distance) P-C4' energy: -12.979 flat angles C4'-P-C4' energy: -8.810 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -75.842773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.842773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.842773 (E_RNA) where: Base-Base interactions energy: -32.006 where: short stacking energy: -31.879 Base-Backbone interact. energy: 1.434 local terms energy: -45.270270 where: bonds (distance) C4'-P energy: -6.403 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -12.475 flat angles P-C4'-P energy: -9.236 tors. eta vs tors. theta energy: -3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -155.814626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.814626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.814626 (E_RNA) where: Base-Base interactions energy: -95.331 where: short stacking energy: -57.516 Base-Backbone interact. energy: -0.003 local terms energy: -60.480817 where: bonds (distance) C4'-P energy: -12.256 bonds (distance) P-C4' energy: -11.747 flat angles C4'-P-C4' energy: -13.855 flat angles P-C4'-P energy: -8.919 tors. eta vs tors. theta energy: -13.704 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: 122 Temperature: 0.950000 Total energy: -144.591371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.591371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.591371 (E_RNA) where: Base-Base interactions energy: -82.989 where: short stacking energy: -49.828 Base-Backbone interact. energy: -0.033 local terms energy: -61.569410 where: bonds (distance) C4'-P energy: -12.521 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -10.956 flat angles P-C4'-P energy: -12.126 tors. eta vs tors. theta energy: -12.388 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: 4 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -140.302686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.302686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.302686 (E_RNA) where: Base-Base interactions energy: -87.495 where: short stacking energy: -55.100 Base-Backbone interact. energy: -0.071 local terms energy: -52.736342 where: bonds (distance) C4'-P energy: -13.047 bonds (distance) P-C4' energy: -11.495 flat angles C4'-P-C4' energy: -13.805 flat angles P-C4'-P energy: -7.161 tors. eta vs tors. theta energy: -7.229 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: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -142.961397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.961397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.961397 (E_RNA) where: Base-Base interactions energy: -85.489 where: short stacking energy: -49.962 Base-Backbone interact. energy: -0.010 local terms energy: -57.462280 where: bonds (distance) C4'-P energy: -12.288 bonds (distance) P-C4' energy: -12.875 flat angles C4'-P-C4' energy: -12.791 flat angles P-C4'-P energy: -6.793 tors. eta vs tors. theta energy: -12.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -97.806262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.806262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.806262 (E_RNA) where: Base-Base interactions energy: -41.774 where: short stacking energy: -41.851 Base-Backbone interact. energy: -0.485 local terms energy: -55.547303 where: bonds (distance) C4'-P energy: -9.175 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -14.169 flat angles P-C4'-P energy: -11.126 tors. eta vs tors. theta energy: -6.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -91.237692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.237692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.237692 (E_RNA) where: Base-Base interactions energy: -40.433 where: short stacking energy: -39.280 Base-Backbone interact. energy: -0.807 local terms energy: -49.997084 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -10.535 flat angles P-C4'-P energy: -9.571 tors. eta vs tors. theta energy: -6.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -89.272437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.272437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.272437 (E_RNA) where: Base-Base interactions energy: -44.244 where: short stacking energy: -44.244 Base-Backbone interact. energy: 0.669 local terms energy: -45.696851 where: bonds (distance) C4'-P energy: -12.621 bonds (distance) P-C4' energy: -14.930 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -7.208 tors. eta vs tors. theta energy: -4.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -105.041866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.041866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.041866 (E_RNA) where: Base-Base interactions energy: -53.987 where: short stacking energy: -47.491 Base-Backbone interact. energy: -0.001 local terms energy: -51.053409 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -12.777 flat angles C4'-P-C4' energy: -12.018 flat angles P-C4'-P energy: -7.836 tors. eta vs tors. theta energy: -11.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -85.016528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.016528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.016528 (E_RNA) where: Base-Base interactions energy: -41.223 where: short stacking energy: -41.223 Base-Backbone interact. energy: -0.880 local terms energy: -42.913571 where: bonds (distance) C4'-P energy: -13.547 bonds (distance) P-C4' energy: -5.658 flat angles C4'-P-C4' energy: -11.618 flat angles P-C4'-P energy: -8.015 tors. eta vs tors. theta energy: -4.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -78.126778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.126778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.126778 (E_RNA) where: Base-Base interactions energy: -29.397 where: short stacking energy: -29.230 Base-Backbone interact. energy: -0.074 local terms energy: -48.655979 where: bonds (distance) C4'-P energy: -8.721 bonds (distance) P-C4' energy: -11.743 flat angles C4'-P-C4' energy: -13.179 flat angles P-C4'-P energy: -7.789 tors. eta vs tors. theta energy: -7.223 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: 5 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -164.063418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.063418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.063418 (E_RNA) where: Base-Base interactions energy: -98.702 where: short stacking energy: -67.717 Base-Backbone interact. energy: -1.255 local terms energy: -64.106777 where: bonds (distance) C4'-P energy: -12.113 bonds (distance) P-C4' energy: -13.594 flat angles C4'-P-C4' energy: -11.086 flat angles P-C4'-P energy: -9.862 tors. eta vs tors. theta energy: -17.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -152.142941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.142941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.142941 (E_RNA) where: Base-Base interactions energy: -84.214 where: short stacking energy: -56.830 Base-Backbone interact. energy: 0.383 local terms energy: -68.311774 where: bonds (distance) C4'-P energy: -14.964 bonds (distance) P-C4' energy: -14.851 flat angles C4'-P-C4' energy: -15.363 flat angles P-C4'-P energy: -8.607 tors. eta vs tors. theta energy: -14.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -144.348322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.348322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.348322 (E_RNA) where: Base-Base interactions energy: -86.264 where: short stacking energy: -55.010 Base-Backbone interact. energy: 0.695 local terms energy: -58.779917 where: bonds (distance) C4'-P energy: -10.472 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -12.785 flat angles P-C4'-P energy: -8.412 tors. eta vs tors. theta energy: -11.169 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: 4, replica: 3 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -138.908755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.908755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.908755 (E_RNA) where: Base-Base interactions energy: -82.062 where: short stacking energy: -48.256 Base-Backbone interact. energy: -0.000 local terms energy: -56.846704 where: bonds (distance) C4'-P energy: -10.898 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -12.562 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: -14.779 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: 123 Temperature: 1.100000 Total energy: -110.535154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.535154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.535154 (E_RNA) where: Base-Base interactions energy: -48.373 where: short stacking energy: -46.826 Base-Backbone interact. energy: -0.079 local terms energy: -62.083094 where: bonds (distance) C4'-P energy: -12.674 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -14.830 flat angles P-C4'-P energy: -9.258 tors. eta vs tors. theta energy: -12.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -83.992549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.992549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.992549 (E_RNA) where: Base-Base interactions energy: -35.621 where: short stacking energy: -30.532 Base-Backbone interact. energy: -0.430 local terms energy: -47.941710 where: bonds (distance) C4'-P energy: -11.983 bonds (distance) P-C4' energy: -14.738 flat angles C4'-P-C4' energy: -8.711 flat angles P-C4'-P energy: -10.338 tors. eta vs tors. theta energy: -2.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -88.673116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.673116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.673116 (E_RNA) where: Base-Base interactions energy: -38.300 where: short stacking energy: -36.659 Base-Backbone interact. energy: -0.143 local terms energy: -50.230558 where: bonds (distance) C4'-P energy: -11.777 bonds (distance) P-C4' energy: -12.247 flat angles C4'-P-C4' energy: -12.633 flat angles P-C4'-P energy: -6.755 tors. eta vs tors. theta energy: -6.820 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: 1 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -86.636606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.636606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.636606 (E_RNA) where: Base-Base interactions energy: -36.509 where: short stacking energy: -36.509 Base-Backbone interact. energy: -0.111 local terms energy: -50.016157 where: bonds (distance) C4'-P energy: -9.336 bonds (distance) P-C4' energy: -10.708 flat angles C4'-P-C4' energy: -12.159 flat angles P-C4'-P energy: -8.337 tors. eta vs tors. theta energy: -9.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -81.337534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.337534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.337534 (E_RNA) where: Base-Base interactions energy: -33.414 where: short stacking energy: -25.405 Base-Backbone interact. energy: 1.234 local terms energy: -49.157658 where: bonds (distance) C4'-P energy: -7.948 bonds (distance) P-C4' energy: -14.903 flat angles C4'-P-C4' energy: -9.269 flat angles P-C4'-P energy: -8.584 tors. eta vs tors. theta energy: -8.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -79.134034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.134034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.134034 (E_RNA) where: Base-Base interactions energy: -42.532 where: short stacking energy: -24.832 Base-Backbone interact. energy: 0.820 local terms energy: -37.422010 where: bonds (distance) C4'-P energy: -4.887 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -12.107 flat angles P-C4'-P energy: -4.966 tors. eta vs tors. theta energy: -2.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -140.770936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.770936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.770936 (E_RNA) where: Base-Base interactions energy: -80.784 where: short stacking energy: -44.858 Base-Backbone interact. energy: -0.601 local terms energy: -59.386748 where: bonds (distance) C4'-P energy: -12.369 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -14.753 flat angles P-C4'-P energy: -9.142 tors. eta vs tors. theta energy: -10.722 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: 6 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -167.938281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.938281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.938281 (E_RNA) where: Base-Base interactions energy: -104.621 where: short stacking energy: -65.410 Base-Backbone interact. energy: -0.957 local terms energy: -62.359699 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -14.023 flat angles C4'-P-C4' energy: -13.507 flat angles P-C4'-P energy: -8.721 tors. eta vs tors. theta energy: -16.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -136.164226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.164226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.164226 (E_RNA) where: Base-Base interactions energy: -81.007 where: short stacking energy: -43.203 Base-Backbone interact. energy: -0.143 local terms energy: -55.013942 where: bonds (distance) C4'-P energy: -9.991 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -11.268 flat angles P-C4'-P energy: -10.077 tors. eta vs tors. theta energy: -7.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -137.387121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.387121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.387121 (E_RNA) where: Base-Base interactions energy: -81.288 where: short stacking energy: -49.633 Base-Backbone interact. energy: -0.043 local terms energy: -56.055570 where: bonds (distance) C4'-P energy: -13.092 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -10.453 flat angles P-C4'-P energy: -8.823 tors. eta vs tors. theta energy: -8.637 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: 7 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -117.586321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.586321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.586321 (E_RNA) where: Base-Base interactions energy: -68.337 where: short stacking energy: -41.124 Base-Backbone interact. energy: -0.095 local terms energy: -49.154689 where: bonds (distance) C4'-P energy: -9.752 bonds (distance) P-C4' energy: -7.959 flat angles C4'-P-C4' energy: -12.669 flat angles P-C4'-P energy: -9.390 tors. eta vs tors. theta energy: -9.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -94.466431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.466431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.466431 (E_RNA) where: Base-Base interactions energy: -41.983 where: short stacking energy: -41.983 Base-Backbone interact. energy: -0.076 local terms energy: -52.407663 where: bonds (distance) C4'-P energy: -15.535 bonds (distance) P-C4' energy: -14.230 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -8.593 tors. eta vs tors. theta energy: -9.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -95.345937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.345937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.345937 (E_RNA) where: Base-Base interactions energy: -45.021 where: short stacking energy: -44.710 Base-Backbone interact. energy: -0.108 local terms energy: -50.216625 where: bonds (distance) C4'-P energy: -7.126 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -13.389 flat angles P-C4'-P energy: -7.140 tors. eta vs tors. theta energy: -12.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -80.653268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.653268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.653268 (E_RNA) where: Base-Base interactions energy: -33.948 where: short stacking energy: -33.948 Base-Backbone interact. energy: -1.633 local terms energy: -45.071755 where: bonds (distance) C4'-P energy: -6.095 bonds (distance) P-C4' energy: -13.553 flat angles C4'-P-C4' energy: -14.575 flat angles P-C4'-P energy: -8.400 tors. eta vs tors. theta energy: -2.449 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: 9, replica: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -77.291913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.291913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.291913 (E_RNA) where: Base-Base interactions energy: -29.334 where: short stacking energy: -29.255 Base-Backbone interact. energy: -0.070 local terms energy: -47.887281 where: bonds (distance) C4'-P energy: -9.267 bonds (distance) P-C4' energy: -13.396 flat angles C4'-P-C4' energy: -9.950 flat angles P-C4'-P energy: -9.308 tors. eta vs tors. theta energy: -5.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -75.190190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.190190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.190190 (E_RNA) where: Base-Base interactions energy: -24.925 where: short stacking energy: -24.499 Base-Backbone interact. energy: -0.254 local terms energy: -50.011177 where: bonds (distance) C4'-P energy: -12.239 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -13.871 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -4.299 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: 5 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -152.442068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.442068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.442068 (E_RNA) where: Base-Base interactions energy: -84.664 where: short stacking energy: -56.503 Base-Backbone interact. energy: -0.020 local terms energy: -67.758188 where: bonds (distance) C4'-P energy: -12.116 bonds (distance) P-C4' energy: -15.004 flat angles C4'-P-C4' energy: -15.893 flat angles P-C4'-P energy: -10.701 tors. eta vs tors. theta energy: -14.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -137.634530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.634530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.634530 (E_RNA) where: Base-Base interactions energy: -88.357 where: short stacking energy: -52.202 Base-Backbone interact. energy: -0.424 local terms energy: -48.853858 where: bonds (distance) C4'-P energy: -8.361 bonds (distance) P-C4' energy: -11.668 flat angles C4'-P-C4' energy: -11.999 flat angles P-C4'-P energy: -9.826 tors. eta vs tors. theta energy: -7.001 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: 6 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -161.624155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.624155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.624155 (E_RNA) where: Base-Base interactions energy: -96.537 where: short stacking energy: -63.172 Base-Backbone interact. energy: -0.008 local terms energy: -65.078921 where: bonds (distance) C4'-P energy: -13.064 bonds (distance) P-C4' energy: -12.546 flat angles C4'-P-C4' energy: -14.751 flat angles P-C4'-P energy: -9.696 tors. eta vs tors. theta energy: -15.022 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: 7 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -139.200710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.200710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.200710 (E_RNA) where: Base-Base interactions energy: -85.234 where: short stacking energy: -51.773 Base-Backbone interact. energy: -0.582 local terms energy: -53.384451 where: bonds (distance) C4'-P energy: -13.854 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -12.660 flat angles P-C4'-P energy: -5.281 tors. eta vs tors. theta energy: -8.035 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: 4 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -131.682073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.682073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.682073 (E_RNA) where: Base-Base interactions energy: -77.932 where: short stacking energy: -45.260 Base-Backbone interact. energy: -0.080 local terms energy: -53.670870 where: bonds (distance) C4'-P energy: -12.459 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -12.994 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -8.902 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: 8 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -108.301452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.301452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.301452 (E_RNA) where: Base-Base interactions energy: -55.027 where: short stacking energy: -43.478 Base-Backbone interact. energy: -0.083 local terms energy: -53.191331 where: bonds (distance) C4'-P energy: -13.463 bonds (distance) P-C4' energy: -13.361 flat angles C4'-P-C4' energy: -10.199 flat angles P-C4'-P energy: -7.715 tors. eta vs tors. theta energy: -8.453 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: 1 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -86.370552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.370552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.370552 (E_RNA) where: Base-Base interactions energy: -41.031 where: short stacking energy: -39.993 Base-Backbone interact. energy: -0.124 local terms energy: -45.216295 where: bonds (distance) C4'-P energy: -9.070 bonds (distance) P-C4' energy: -11.213 flat angles C4'-P-C4' energy: -8.979 flat angles P-C4'-P energy: -9.331 tors. eta vs tors. theta energy: -6.623 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: 2 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -78.798879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.798879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.798879 (E_RNA) where: Base-Base interactions energy: -35.445 where: short stacking energy: -27.718 Base-Backbone interact. energy: -0.117 local terms energy: -43.236937 where: bonds (distance) C4'-P energy: -13.386 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -7.792 flat angles P-C4'-P energy: -8.122 tors. eta vs tors. theta energy: -0.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -74.054919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.054919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.054919 (E_RNA) where: Base-Base interactions energy: -39.130 where: short stacking energy: -30.089 Base-Backbone interact. energy: -0.108 local terms energy: -34.817002 where: bonds (distance) C4'-P energy: -8.252 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -9.274 tors. eta vs tors. theta energy: 3.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -85.536346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.536346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.536346 (E_RNA) where: Base-Base interactions energy: -39.838 where: short stacking energy: -37.955 Base-Backbone interact. energy: -0.863 local terms energy: -44.835669 where: bonds (distance) C4'-P energy: -10.269 bonds (distance) P-C4' energy: -7.919 flat angles C4'-P-C4' energy: -10.504 flat angles P-C4'-P energy: -7.233 tors. eta vs tors. theta energy: -8.910 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: 5 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -154.242832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.242832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.242832 (E_RNA) where: Base-Base interactions energy: -89.384 where: short stacking energy: -63.328 Base-Backbone interact. energy: -0.094 local terms energy: -64.764664 where: bonds (distance) C4'-P energy: -12.733 bonds (distance) P-C4' energy: -14.479 flat angles C4'-P-C4' energy: -13.708 flat angles P-C4'-P energy: -12.714 tors. eta vs tors. theta energy: -11.131 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: 3 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -142.806302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.806302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.806302 (E_RNA) where: Base-Base interactions energy: -77.950 where: short stacking energy: -52.266 Base-Backbone interact. energy: -0.021 local terms energy: -64.835281 where: bonds (distance) C4'-P energy: -14.885 bonds (distance) P-C4' energy: -14.460 flat angles C4'-P-C4' energy: -14.161 flat angles P-C4'-P energy: -9.263 tors. eta vs tors. theta energy: -12.066 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: 7 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -151.701693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.701693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.701693 (E_RNA) where: Base-Base interactions energy: -89.268 where: short stacking energy: -54.424 Base-Backbone interact. energy: 0.156 local terms energy: -62.589680 where: bonds (distance) C4'-P energy: -13.208 bonds (distance) P-C4' energy: -11.505 flat angles C4'-P-C4' energy: -14.903 flat angles P-C4'-P energy: -8.693 tors. eta vs tors. theta energy: -14.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -142.750026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.750026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.750026 (E_RNA) where: Base-Base interactions energy: -94.265 where: short stacking energy: -59.344 Base-Backbone interact. energy: -0.006 local terms energy: -48.478678 where: bonds (distance) C4'-P energy: -14.035 bonds (distance) P-C4' energy: -10.050 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -7.629 tors. eta vs tors. theta energy: -8.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -107.612945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.612945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.612945 (E_RNA) where: Base-Base interactions energy: -50.925 where: short stacking energy: -50.925 Base-Backbone interact. energy: -0.156 local terms energy: -56.532495 where: bonds (distance) C4'-P energy: -7.234 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -14.314 flat angles P-C4'-P energy: -11.344 tors. eta vs tors. theta energy: -10.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -126.780707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.780707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.780707 (E_RNA) where: Base-Base interactions energy: -76.811 where: short stacking energy: -41.705 Base-Backbone interact. energy: -0.691 local terms energy: -49.279254 where: bonds (distance) C4'-P energy: -9.421 bonds (distance) P-C4' energy: -12.335 flat angles C4'-P-C4' energy: -12.899 flat angles P-C4'-P energy: -6.417 tors. eta vs tors. theta energy: -8.207 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: 1 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -90.524662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.524662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.524662 (E_RNA) where: Base-Base interactions energy: -40.484 where: short stacking energy: -40.484 Base-Backbone interact. energy: -1.205 local terms energy: -48.836281 where: bonds (distance) C4'-P energy: -11.139 bonds (distance) P-C4' energy: -9.884 flat angles C4'-P-C4' energy: -14.858 flat angles P-C4'-P energy: -7.019 tors. eta vs tors. theta energy: -5.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -87.360330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.360330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.360330 (E_RNA) where: Base-Base interactions energy: -38.091 where: short stacking energy: -38.091 Base-Backbone interact. energy: 0.112 local terms energy: -49.380787 where: bonds (distance) C4'-P energy: -8.621 bonds (distance) P-C4' energy: -11.887 flat angles C4'-P-C4' energy: -13.709 flat angles P-C4'-P energy: -7.042 tors. eta vs tors. theta energy: -8.121 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: 10 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -83.315133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.315133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.315133 (E_RNA) where: Base-Base interactions energy: -36.550 where: short stacking energy: -36.550 Base-Backbone interact. energy: 0.689 local terms energy: -47.453754 where: bonds (distance) C4'-P energy: -8.502 bonds (distance) P-C4' energy: -12.252 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -12.026 tors. eta vs tors. theta energy: -7.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -85.591530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.591530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.591530 (E_RNA) where: Base-Base interactions energy: -40.588 where: short stacking energy: -39.646 Base-Backbone interact. energy: -0.116 local terms energy: -44.887779 where: bonds (distance) C4'-P energy: -4.853 bonds (distance) P-C4' energy: -8.446 flat angles C4'-P-C4' energy: -12.950 flat angles P-C4'-P energy: -9.471 tors. eta vs tors. theta energy: -9.168 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: 5 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -151.742270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.742270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.742270 (E_RNA) where: Base-Base interactions energy: -90.092 where: short stacking energy: -60.441 Base-Backbone interact. energy: -0.268 local terms energy: -61.382495 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -13.599 flat angles P-C4'-P energy: -10.665 tors. eta vs tors. theta energy: -10.400 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: 127 Temperature: 0.950000 Total energy: -150.411634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.411634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.411634 (E_RNA) where: Base-Base interactions energy: -87.792 where: short stacking energy: -58.941 Base-Backbone interact. energy: -0.128 local terms energy: -62.490953 where: bonds (distance) C4'-P energy: -14.670 bonds (distance) P-C4' energy: -15.093 flat angles C4'-P-C4' energy: -13.690 flat angles P-C4'-P energy: -6.369 tors. eta vs tors. theta energy: -12.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -145.844975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.844975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.844975 (E_RNA) where: Base-Base interactions energy: -83.082 where: short stacking energy: -59.588 Base-Backbone interact. energy: -0.035 local terms energy: -62.728644 where: bonds (distance) C4'-P energy: -13.544 bonds (distance) P-C4' energy: -15.792 flat angles C4'-P-C4' energy: -10.299 flat angles P-C4'-P energy: -8.795 tors. eta vs tors. theta energy: -14.299 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: 127 Temperature: 1.050000 Total energy: -148.274430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.274430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.274430 (E_RNA) where: Base-Base interactions energy: -91.294 where: short stacking energy: -58.316 Base-Backbone interact. energy: -0.004 local terms energy: -56.976929 where: bonds (distance) C4'-P energy: -12.956 bonds (distance) P-C4' energy: -9.945 flat angles C4'-P-C4' energy: -11.201 flat angles P-C4'-P energy: -12.273 tors. eta vs tors. theta energy: -10.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -114.808948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.808948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.808948 (E_RNA) where: Base-Base interactions energy: -66.709 where: short stacking energy: -43.696 Base-Backbone interact. energy: -0.003 local terms energy: -48.096949 where: bonds (distance) C4'-P energy: -8.028 bonds (distance) P-C4' energy: -11.380 flat angles C4'-P-C4' energy: -12.002 flat angles P-C4'-P energy: -6.933 tors. eta vs tors. theta energy: -9.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -118.706441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.706441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.706441 (E_RNA) where: Base-Base interactions energy: -69.964 where: short stacking energy: -33.093 Base-Backbone interact. energy: -0.286 local terms energy: -48.456441 where: bonds (distance) C4'-P energy: -13.009 bonds (distance) P-C4' energy: -10.834 flat angles C4'-P-C4' energy: -9.057 flat angles P-C4'-P energy: -9.169 tors. eta vs tors. theta energy: -6.387 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: 7, replica: 1 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -87.195340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.195340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.195340 (E_RNA) where: Base-Base interactions energy: -41.522 where: short stacking energy: -32.480 Base-Backbone interact. energy: -0.328 local terms energy: -45.346291 where: bonds (distance) C4'-P energy: -11.213 bonds (distance) P-C4' energy: -12.578 flat angles C4'-P-C4' energy: -12.844 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -4.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -82.039573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.039573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.039573 (E_RNA) where: Base-Base interactions energy: -29.369 where: short stacking energy: -29.369 Base-Backbone interact. energy: -0.056 local terms energy: -52.614916 where: bonds (distance) C4'-P energy: -11.034 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -13.260 flat angles P-C4'-P energy: -11.426 tors. eta vs tors. theta energy: -4.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -66.960614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.960614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.960614 (E_RNA) where: Base-Base interactions energy: -30.523 where: short stacking energy: -27.536 Base-Backbone interact. energy: 0.256 local terms energy: -36.693747 where: bonds (distance) C4'-P energy: -8.069 bonds (distance) P-C4' energy: -10.555 flat angles C4'-P-C4' energy: -10.438 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: -1.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -68.953073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.953073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.953073 (E_RNA) where: Base-Base interactions energy: -24.652 where: short stacking energy: -22.367 Base-Backbone interact. energy: -0.135 local terms energy: -44.165707 where: bonds (distance) C4'-P energy: -7.445 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -12.784 flat angles P-C4'-P energy: -8.785 tors. eta vs tors. theta energy: -0.530 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: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -167.455699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.455699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.455699 (E_RNA) where: Base-Base interactions energy: -100.547 where: short stacking energy: -64.243 Base-Backbone interact. energy: -0.001 local terms energy: -66.907771 where: bonds (distance) C4'-P energy: -13.697 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -14.078 flat angles P-C4'-P energy: -12.083 tors. eta vs tors. theta energy: -13.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -145.513721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.513721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.513721 (E_RNA) where: Base-Base interactions energy: -86.750 where: short stacking energy: -53.187 Base-Backbone interact. energy: -0.011 local terms energy: -58.753045 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -13.690 flat angles C4'-P-C4' energy: -9.054 flat angles P-C4'-P energy: -10.451 tors. eta vs tors. theta energy: -12.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -149.367089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.367089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.367089 (E_RNA) where: Base-Base interactions energy: -95.396 where: short stacking energy: -64.165 Base-Backbone interact. energy: -0.000 local terms energy: -53.970773 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -11.833 flat angles C4'-P-C4' energy: -13.485 flat angles P-C4'-P energy: -6.785 tors. eta vs tors. theta energy: -14.486 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: 4, replica: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -136.739227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.739227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.739227 (E_RNA) where: Base-Base interactions energy: -84.188 where: short stacking energy: -53.851 Base-Backbone interact. energy: -0.002 local terms energy: -52.549830 where: bonds (distance) C4'-P energy: -11.051 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -9.196 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -12.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -102.274677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.274677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.274677 (E_RNA) where: Base-Base interactions energy: -49.340 where: short stacking energy: -34.123 Base-Backbone interact. energy: 1.829 local terms energy: -54.763732 where: bonds (distance) C4'-P energy: -12.036 bonds (distance) P-C4' energy: -14.320 flat angles C4'-P-C4' energy: -11.616 flat angles P-C4'-P energy: -8.907 tors. eta vs tors. theta energy: -7.884 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: 8 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -90.870854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.870854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.870854 (E_RNA) where: Base-Base interactions energy: -41.826 where: short stacking energy: -41.826 Base-Backbone interact. energy: -0.001 local terms energy: -49.042970 where: bonds (distance) C4'-P energy: -13.952 bonds (distance) P-C4' energy: -10.878 flat angles C4'-P-C4' energy: -7.377 flat angles P-C4'-P energy: -7.404 tors. eta vs tors. theta energy: -9.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -94.414965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.414965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.414965 (E_RNA) where: Base-Base interactions energy: -44.189 where: short stacking energy: -29.070 Base-Backbone interact. energy: -0.082 local terms energy: -50.143819 where: bonds (distance) C4'-P energy: -9.333 bonds (distance) P-C4' energy: -15.562 flat angles C4'-P-C4' energy: -13.977 flat angles P-C4'-P energy: -7.591 tors. eta vs tors. theta energy: -3.680 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: 1 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -84.381384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.381384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.381384 (E_RNA) where: Base-Base interactions energy: -38.299 where: short stacking energy: -38.299 Base-Backbone interact. energy: -0.109 local terms energy: -45.974020 where: bonds (distance) C4'-P energy: -10.338 bonds (distance) P-C4' energy: -12.832 flat angles C4'-P-C4' energy: -9.286 flat angles P-C4'-P energy: -8.279 tors. eta vs tors. theta energy: -5.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -94.535026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.535026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.535026 (E_RNA) where: Base-Base interactions energy: -34.195 where: short stacking energy: -34.195 Base-Backbone interact. energy: -0.081 local terms energy: -60.258902 where: bonds (distance) C4'-P energy: -12.049 bonds (distance) P-C4' energy: -13.882 flat angles C4'-P-C4' energy: -13.145 flat angles P-C4'-P energy: -11.421 tors. eta vs tors. theta energy: -9.761 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: 10, replica: 2 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -79.359751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.359751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.359751 (E_RNA) where: Base-Base interactions energy: -31.875 where: short stacking energy: -30.775 Base-Backbone interact. energy: -0.253 local terms energy: -47.231615 where: bonds (distance) C4'-P energy: -13.427 bonds (distance) P-C4' energy: -11.053 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -8.501 tors. eta vs tors. theta energy: -7.427 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: 7 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -165.642120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.642120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.642120 (E_RNA) where: Base-Base interactions energy: -98.011 where: short stacking energy: -59.854 Base-Backbone interact. energy: -0.011 local terms energy: -67.620398 where: bonds (distance) C4'-P energy: -13.229 bonds (distance) P-C4' energy: -13.764 flat angles C4'-P-C4' energy: -14.417 flat angles P-C4'-P energy: -12.587 tors. eta vs tors. theta energy: -13.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -150.556147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.556147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.556147 (E_RNA) where: Base-Base interactions energy: -93.740 where: short stacking energy: -57.321 Base-Backbone interact. energy: -0.002 local terms energy: -56.814330 where: bonds (distance) C4'-P energy: -10.774 bonds (distance) P-C4' energy: -12.091 flat angles C4'-P-C4' energy: -10.689 flat angles P-C4'-P energy: -6.238 tors. eta vs tors. theta energy: -17.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -144.939723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.939723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.939723 (E_RNA) where: Base-Base interactions energy: -81.873 where: short stacking energy: -51.373 Base-Backbone interact. energy: -0.234 local terms energy: -62.833545 where: bonds (distance) C4'-P energy: -14.831 bonds (distance) P-C4' energy: -15.237 flat angles C4'-P-C4' energy: -12.788 flat angles P-C4'-P energy: -6.745 tors. eta vs tors. theta energy: -13.232 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: 4, replica: 3 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -138.808191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.808191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.808191 (E_RNA) where: Base-Base interactions energy: -83.422 where: short stacking energy: -43.219 Base-Backbone interact. energy: -0.106 local terms energy: -55.280725 where: bonds (distance) C4'-P energy: -15.099 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -12.345 flat angles P-C4'-P energy: -6.798 tors. eta vs tors. theta energy: -8.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -91.751792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.751792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.751792 (E_RNA) where: Base-Base interactions energy: -35.534 where: short stacking energy: -35.260 Base-Backbone interact. energy: -0.099 local terms energy: -56.118828 where: bonds (distance) C4'-P energy: -13.758 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -13.713 flat angles P-C4'-P energy: -9.778 tors. eta vs tors. theta energy: -6.528 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: 6, replica: 10 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -96.266439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.266439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.266439 (E_RNA) where: Base-Base interactions energy: -47.028 where: short stacking energy: -42.495 Base-Backbone interact. energy: 0.838 local terms energy: -50.076327 where: bonds (distance) C4'-P energy: -10.447 bonds (distance) P-C4' energy: -13.402 flat angles C4'-P-C4' energy: -11.073 flat angles P-C4'-P energy: -8.050 tors. eta vs tors. theta energy: -7.104 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: 8 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -116.585216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.585216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.585216 (E_RNA) where: Base-Base interactions energy: -62.747 where: short stacking energy: -36.409 Base-Backbone interact. energy: -0.151 local terms energy: -53.687405 where: bonds (distance) C4'-P energy: -13.846 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -11.638 flat angles P-C4'-P energy: -7.745 tors. eta vs tors. theta energy: -4.664 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: 8, replica: 1 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -77.647954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.647954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.647954 (E_RNA) where: Base-Base interactions energy: -27.119 where: short stacking energy: -27.119 Base-Backbone interact. energy: -0.171 local terms energy: -50.357967 where: bonds (distance) C4'-P energy: -13.503 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -10.320 flat angles P-C4'-P energy: -5.936 tors. eta vs tors. theta energy: -5.273 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: 9, replica: 9 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -72.655252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.655252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.655252 (E_RNA) where: Base-Base interactions energy: -30.941 where: short stacking energy: -30.941 Base-Backbone interact. energy: -0.117 local terms energy: -41.597311 where: bonds (distance) C4'-P energy: -12.885 bonds (distance) P-C4' energy: -11.024 flat angles C4'-P-C4' energy: -11.493 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -3.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -78.214533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.214533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.214533 (E_RNA) where: Base-Base interactions energy: -33.693 where: short stacking energy: -33.693 Base-Backbone interact. energy: -0.044 local terms energy: -44.477805 where: bonds (distance) C4'-P energy: -11.432 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -10.447 flat angles P-C4'-P energy: -10.073 tors. eta vs tors. theta energy: -3.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -149.796297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.796297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.796297 (E_RNA) where: Base-Base interactions energy: -87.202 where: short stacking energy: -54.275 Base-Backbone interact. energy: -0.008 local terms energy: -62.586396 where: bonds (distance) C4'-P energy: -10.463 bonds (distance) P-C4' energy: -13.748 flat angles C4'-P-C4' energy: -15.353 flat angles P-C4'-P energy: -8.908 tors. eta vs tors. theta energy: -14.115 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: 6 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -147.252355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.252355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.252355 (E_RNA) where: Base-Base interactions energy: -82.389 where: short stacking energy: -45.512 Base-Backbone interact. energy: -0.562 local terms energy: -64.301980 where: bonds (distance) C4'-P energy: -12.264 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -14.605 flat angles P-C4'-P energy: -10.489 tors. eta vs tors. theta energy: -12.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -153.331637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.331637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.331637 (E_RNA) where: Base-Base interactions energy: -95.516 where: short stacking energy: -61.307 Base-Backbone interact. energy: -0.031 local terms energy: -57.784655 where: bonds (distance) C4'-P energy: -13.751 bonds (distance) P-C4' energy: -9.657 flat angles C4'-P-C4' energy: -11.935 flat angles P-C4'-P energy: -10.212 tors. eta vs tors. theta energy: -12.229 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: 130 Temperature: 1.050000 Total energy: -132.102780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.102780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.102780 (E_RNA) where: Base-Base interactions energy: -77.743 where: short stacking energy: -47.097 Base-Backbone interact. energy: -0.033 local terms energy: -54.326756 where: bonds (distance) C4'-P energy: -13.561 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -8.902 flat angles P-C4'-P energy: -8.783 tors. eta vs tors. theta energy: -9.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -89.307375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.307375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.307375 (E_RNA) where: Base-Base interactions energy: -43.625 where: short stacking energy: -33.581 Base-Backbone interact. energy: -0.242 local terms energy: -45.440443 where: bonds (distance) C4'-P energy: -11.072 bonds (distance) P-C4' energy: -11.316 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -9.968 tors. eta vs tors. theta energy: -5.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -88.080645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.080645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.080645 (E_RNA) where: Base-Base interactions energy: -33.583 where: short stacking energy: -24.367 Base-Backbone interact. energy: -0.024 local terms energy: -54.473772 where: bonds (distance) C4'-P energy: -12.041 bonds (distance) P-C4' energy: -16.725 flat angles C4'-P-C4' energy: -8.701 flat angles P-C4'-P energy: -12.869 tors. eta vs tors. theta energy: -4.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -115.445955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.445955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.445955 (E_RNA) where: Base-Base interactions energy: -70.036 where: short stacking energy: -36.265 Base-Backbone interact. energy: -0.149 local terms energy: -45.260425 where: bonds (distance) C4'-P energy: -11.271 bonds (distance) P-C4' energy: -7.433 flat angles C4'-P-C4' energy: -12.160 flat angles P-C4'-P energy: -8.026 tors. eta vs tors. theta energy: -6.370 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: 1 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -89.309737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.309737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.309737 (E_RNA) where: Base-Base interactions energy: -45.685 where: short stacking energy: -35.270 Base-Backbone interact. energy: -0.267 local terms energy: -43.357774 where: bonds (distance) C4'-P energy: -12.140 bonds (distance) P-C4' energy: -12.790 flat angles C4'-P-C4' energy: -11.961 flat angles P-C4'-P energy: -5.905 tors. eta vs tors. theta energy: -0.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -75.202002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.202002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.202002 (E_RNA) where: Base-Base interactions energy: -23.279 where: short stacking energy: -18.825 Base-Backbone interact. energy: 1.707 local terms energy: -53.630459 where: bonds (distance) C4'-P energy: -15.269 bonds (distance) P-C4' energy: -15.425 flat angles C4'-P-C4' energy: -14.268 flat angles P-C4'-P energy: -7.001 tors. eta vs tors. theta energy: -1.668 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: 9 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -77.367138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.367138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.367138 (E_RNA) where: Base-Base interactions energy: -34.238 where: short stacking energy: -33.825 Base-Backbone interact. energy: -0.015 local terms energy: -43.114596 where: bonds (distance) C4'-P energy: -5.657 bonds (distance) P-C4' energy: -12.039 flat angles C4'-P-C4' energy: -10.293 flat angles P-C4'-P energy: -8.072 tors. eta vs tors. theta energy: -7.053 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: 7 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -156.633210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.633210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.633210 (E_RNA) where: Base-Base interactions energy: -97.909 where: short stacking energy: -61.769 Base-Backbone interact. energy: -0.005 local terms energy: -58.719222 where: bonds (distance) C4'-P energy: -9.827 bonds (distance) P-C4' energy: -11.327 flat angles C4'-P-C4' energy: -11.490 flat angles P-C4'-P energy: -9.840 tors. eta vs tors. theta energy: -16.235 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: 2, replica: 3 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -146.211845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.211845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.211845 (E_RNA) where: Base-Base interactions energy: -86.620 where: short stacking energy: -51.637 Base-Backbone interact. energy: -0.153 local terms energy: -59.439293 where: bonds (distance) C4'-P energy: -11.614 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -13.912 flat angles P-C4'-P energy: -5.926 tors. eta vs tors. theta energy: -13.430 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: 6 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -150.844273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.844273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.844273 (E_RNA) where: Base-Base interactions energy: -87.810 where: short stacking energy: -57.832 Base-Backbone interact. energy: -0.668 local terms energy: -62.366228 where: bonds (distance) C4'-P energy: -13.825 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -12.863 flat angles P-C4'-P energy: -9.183 tors. eta vs tors. theta energy: -13.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -141.116969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.116969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.116969 (E_RNA) where: Base-Base interactions energy: -82.355 where: short stacking energy: -49.280 Base-Backbone interact. energy: -0.413 local terms energy: -58.348775 where: bonds (distance) C4'-P energy: -12.728 bonds (distance) P-C4' energy: -15.700 flat angles C4'-P-C4' energy: -11.564 flat angles P-C4'-P energy: -11.197 tors. eta vs tors. theta energy: -7.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -93.395260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.395260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.395260 (E_RNA) where: Base-Base interactions energy: -45.963 where: short stacking energy: -39.761 Base-Backbone interact. energy: -0.102 local terms energy: -47.329744 where: bonds (distance) C4'-P energy: -9.287 bonds (distance) P-C4' energy: -16.261 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -8.522 tors. eta vs tors. theta energy: -4.730 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: 131 Temperature: 1.150000 Total energy: -108.911011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.911011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.911011 (E_RNA) where: Base-Base interactions energy: -51.676 where: short stacking energy: -51.222 Base-Backbone interact. energy: -0.185 local terms energy: -57.049113 where: bonds (distance) C4'-P energy: -7.747 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -12.650 flat angles P-C4'-P energy: -10.307 tors. eta vs tors. theta energy: -11.934 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: 4 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -86.748562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.748562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.748562 (E_RNA) where: Base-Base interactions energy: -37.367 where: short stacking energy: -37.367 Base-Backbone interact. energy: -0.034 local terms energy: -49.347510 where: bonds (distance) C4'-P energy: -10.335 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -10.999 flat angles P-C4'-P energy: -8.626 tors. eta vs tors. theta energy: -6.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -90.046225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.046225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.046225 (E_RNA) where: Base-Base interactions energy: -40.992 where: short stacking energy: -37.294 Base-Backbone interact. energy: -0.105 local terms energy: -48.949081 where: bonds (distance) C4'-P energy: -9.520 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -14.332 flat angles P-C4'-P energy: -8.362 tors. eta vs tors. theta energy: -4.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -80.296372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.296372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.296372 (E_RNA) where: Base-Base interactions energy: -44.396 where: short stacking energy: -32.279 Base-Backbone interact. energy: 0.579 local terms energy: -36.478979 where: bonds (distance) C4'-P energy: -9.470 bonds (distance) P-C4' energy: -9.628 flat angles C4'-P-C4' energy: -10.662 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: -3.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -76.878341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.878341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.878341 (E_RNA) where: Base-Base interactions energy: -31.453 where: short stacking energy: -31.453 Base-Backbone interact. energy: -0.420 local terms energy: -45.004963 where: bonds (distance) C4'-P energy: -11.051 bonds (distance) P-C4' energy: -9.894 flat angles C4'-P-C4' energy: -12.943 flat angles P-C4'-P energy: -8.684 tors. eta vs tors. theta energy: -2.433 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: 1, replica: 7 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -154.342162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.342162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.342162 (E_RNA) where: Base-Base interactions energy: -90.151 where: short stacking energy: -53.976 Base-Backbone interact. energy: -0.007 local terms energy: -64.184271 where: bonds (distance) C4'-P energy: -9.047 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -15.414 flat angles P-C4'-P energy: -9.509 tors. eta vs tors. theta energy: -14.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -133.980714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.980714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.980714 (E_RNA) where: Base-Base interactions energy: -88.530 where: short stacking energy: -55.162 Base-Backbone interact. energy: -0.115 local terms energy: -45.335786 where: bonds (distance) C4'-P energy: -9.289 bonds (distance) P-C4' energy: -12.139 flat angles C4'-P-C4' energy: -9.324 flat angles P-C4'-P energy: -4.418 tors. eta vs tors. theta energy: -10.167 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: 3, replica: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -153.027144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.027144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.027144 (E_RNA) where: Base-Base interactions energy: -92.966 where: short stacking energy: -46.669 Base-Backbone interact. energy: -0.246 local terms energy: -59.814917 where: bonds (distance) C4'-P energy: -12.923 bonds (distance) P-C4' energy: -13.637 flat angles C4'-P-C4' energy: -12.140 flat angles P-C4'-P energy: -7.675 tors. eta vs tors. theta energy: -13.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -143.270649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.270649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.270649 (E_RNA) where: Base-Base interactions energy: -79.425 where: short stacking energy: -50.409 Base-Backbone interact. energy: -0.005 local terms energy: -63.840436 where: bonds (distance) C4'-P energy: -13.273 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -13.287 flat angles P-C4'-P energy: -11.096 tors. eta vs tors. theta energy: -11.715 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: 8 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -95.613322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.613322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.613322 (E_RNA) where: Base-Base interactions energy: -43.534 where: short stacking energy: -43.534 Base-Backbone interact. energy: -0.004 local terms energy: -52.075405 where: bonds (distance) C4'-P energy: -10.865 bonds (distance) P-C4' energy: -10.031 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -8.617 tors. eta vs tors. theta energy: -8.874 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: 10 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -90.126817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.126817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.126817 (E_RNA) where: Base-Base interactions energy: -34.598 where: short stacking energy: -21.070 Base-Backbone interact. energy: -0.166 local terms energy: -55.362690 where: bonds (distance) C4'-P energy: -13.759 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -11.289 flat angles P-C4'-P energy: -9.649 tors. eta vs tors. theta energy: -5.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -83.596251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.596251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.596251 (E_RNA) where: Base-Base interactions energy: -41.853 where: short stacking energy: -36.570 Base-Backbone interact. energy: -0.406 local terms energy: -41.337169 where: bonds (distance) C4'-P energy: -10.012 bonds (distance) P-C4' energy: -8.924 flat angles C4'-P-C4' energy: -9.866 flat angles P-C4'-P energy: -7.724 tors. eta vs tors. theta energy: -4.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -80.107821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.107821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.107821 (E_RNA) where: Base-Base interactions energy: -32.264 where: short stacking energy: -32.264 Base-Backbone interact. energy: -0.580 local terms energy: -47.264052 where: bonds (distance) C4'-P energy: -12.425 bonds (distance) P-C4' energy: -11.215 flat angles C4'-P-C4' energy: -12.473 flat angles P-C4'-P energy: -4.918 tors. eta vs tors. theta energy: -6.232 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: 9, replica: 9 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -80.833773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.833773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.833773 (E_RNA) where: Base-Base interactions energy: -34.052 where: short stacking energy: -33.410 Base-Backbone interact. energy: -0.076 local terms energy: -46.705615 where: bonds (distance) C4'-P energy: -11.196 bonds (distance) P-C4' energy: -13.450 flat angles C4'-P-C4' energy: -13.912 flat angles P-C4'-P energy: -4.440 tors. eta vs tors. theta energy: -3.708 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: 1 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -73.535199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.535199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.535199 (E_RNA) where: Base-Base interactions energy: -34.913 where: short stacking energy: -34.559 Base-Backbone interact. energy: -0.105 local terms energy: -38.516756 where: bonds (distance) C4'-P energy: -8.005 bonds (distance) P-C4' energy: -9.364 flat angles C4'-P-C4' energy: -11.544 flat angles P-C4'-P energy: -2.888 tors. eta vs tors. theta energy: -6.716 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: 7 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -168.028789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.028789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.028789 (E_RNA) where: Base-Base interactions energy: -108.494 where: short stacking energy: -63.309 Base-Backbone interact. energy: -0.592 local terms energy: -58.943441 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -13.201 flat angles C4'-P-C4' energy: -13.063 flat angles P-C4'-P energy: -4.734 tors. eta vs tors. theta energy: -14.154 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: 5 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -143.805222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.805222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.805222 (E_RNA) where: Base-Base interactions energy: -86.470 where: short stacking energy: -58.531 Base-Backbone interact. energy: -0.252 local terms energy: -57.083332 where: bonds (distance) C4'-P energy: -11.834 bonds (distance) P-C4' energy: -14.508 flat angles C4'-P-C4' energy: -14.637 flat angles P-C4'-P energy: -8.470 tors. eta vs tors. theta energy: -7.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -132.968472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.968472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.968472 (E_RNA) where: Base-Base interactions energy: -82.811 where: short stacking energy: -46.222 Base-Backbone interact. energy: -0.007 local terms energy: -50.150704 where: bonds (distance) C4'-P energy: -6.311 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -10.078 flat angles P-C4'-P energy: -9.451 tors. eta vs tors. theta energy: -10.990 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: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -144.274515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.274515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.274515 (E_RNA) where: Base-Base interactions energy: -85.911 where: short stacking energy: -48.879 Base-Backbone interact. energy: -0.634 local terms energy: -57.729058 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -12.159 flat angles C4'-P-C4' energy: -13.474 flat angles P-C4'-P energy: -7.007 tors. eta vs tors. theta energy: -12.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -108.471320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.471320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.471320 (E_RNA) where: Base-Base interactions energy: -56.290 where: short stacking energy: -56.290 Base-Backbone interact. energy: -0.011 local terms energy: -52.169846 where: bonds (distance) C4'-P energy: -9.347 bonds (distance) P-C4' energy: -12.440 flat angles C4'-P-C4' energy: -11.193 flat angles P-C4'-P energy: -5.815 tors. eta vs tors. theta energy: -13.376 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: 2 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -105.550506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.550506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.550506 (E_RNA) where: Base-Base interactions energy: -55.430 where: short stacking energy: -50.725 Base-Backbone interact. energy: -0.008 local terms energy: -50.111991 where: bonds (distance) C4'-P energy: -13.482 bonds (distance) P-C4' energy: -8.473 flat angles C4'-P-C4' energy: -12.514 flat angles P-C4'-P energy: -3.213 tors. eta vs tors. theta energy: -12.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -94.396489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.396489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.396489 (E_RNA) where: Base-Base interactions energy: -43.515 where: short stacking energy: -42.669 Base-Backbone interact. energy: -0.012 local terms energy: -50.869461 where: bonds (distance) C4'-P energy: -11.002 bonds (distance) P-C4' energy: -14.178 flat angles C4'-P-C4' energy: -11.267 flat angles P-C4'-P energy: -7.507 tors. eta vs tors. theta energy: -6.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -88.531597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.531597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.531597 (E_RNA) where: Base-Base interactions energy: -32.469 where: short stacking energy: -31.819 Base-Backbone interact. energy: 0.829 local terms energy: -56.892324 where: bonds (distance) C4'-P energy: -12.301 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -10.687 flat angles P-C4'-P energy: -11.464 tors. eta vs tors. theta energy: -8.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -81.515302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.515302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.515302 (E_RNA) where: Base-Base interactions energy: -46.293 where: short stacking energy: -33.021 Base-Backbone interact. energy: -0.014 local terms energy: -35.208552 where: bonds (distance) C4'-P energy: -5.808 bonds (distance) P-C4' energy: -10.887 flat angles C4'-P-C4' energy: -11.958 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: -2.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -67.808275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.808275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.808275 (E_RNA) where: Base-Base interactions energy: -27.589 where: short stacking energy: -26.952 Base-Backbone interact. energy: -0.103 local terms energy: -40.117210 where: bonds (distance) C4'-P energy: -5.267 bonds (distance) P-C4' energy: -14.016 flat angles C4'-P-C4' energy: -8.401 flat angles P-C4'-P energy: -7.290 tors. eta vs tors. theta energy: -5.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -172.652945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.652945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.652945 (E_RNA) where: Base-Base interactions energy: -104.708 where: short stacking energy: -61.577 Base-Backbone interact. energy: 0.369 local terms energy: -68.314605 where: bonds (distance) C4'-P energy: -14.227 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -14.011 flat angles P-C4'-P energy: -8.788 tors. eta vs tors. theta energy: -17.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -142.317762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.317762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.317762 (E_RNA) where: Base-Base interactions energy: -85.935 where: short stacking energy: -49.955 Base-Backbone interact. energy: -0.511 local terms energy: -55.871953 where: bonds (distance) C4'-P energy: -15.837 bonds (distance) P-C4' energy: -13.679 flat angles C4'-P-C4' energy: -13.067 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -7.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -142.822204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.822204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.822204 (E_RNA) where: Base-Base interactions energy: -84.706 where: short stacking energy: -52.583 Base-Backbone interact. energy: -0.128 local terms energy: -57.988094 where: bonds (distance) C4'-P energy: -13.232 bonds (distance) P-C4' energy: -11.334 flat angles C4'-P-C4' energy: -14.171 flat angles P-C4'-P energy: -9.931 tors. eta vs tors. theta energy: -9.320 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: 4, replica: 3 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -135.273185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.273185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.273185 (E_RNA) where: Base-Base interactions energy: -77.973 where: short stacking energy: -48.990 Base-Backbone interact. energy: -0.106 local terms energy: -57.194917 where: bonds (distance) C4'-P energy: -12.302 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -12.696 flat angles P-C4'-P energy: -9.668 tors. eta vs tors. theta energy: -9.469 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: 5, replica: 8 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -103.021595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.021595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.021595 (E_RNA) where: Base-Base interactions energy: -50.349 where: short stacking energy: -50.322 Base-Backbone interact. energy: -0.015 local terms energy: -52.657963 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -15.779 flat angles P-C4'-P energy: -7.061 tors. eta vs tors. theta energy: -8.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -101.716684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.716684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.716684 (E_RNA) where: Base-Base interactions energy: -50.675 where: short stacking energy: -48.520 Base-Backbone interact. energy: 1.016 local terms energy: -52.057716 where: bonds (distance) C4'-P energy: -15.261 bonds (distance) P-C4' energy: -11.598 flat angles C4'-P-C4' energy: -9.978 flat angles P-C4'-P energy: -9.282 tors. eta vs tors. theta energy: -5.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -87.494038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.494038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.494038 (E_RNA) where: Base-Base interactions energy: -40.313 where: short stacking energy: -37.527 Base-Backbone interact. energy: -0.077 local terms energy: -47.103895 where: bonds (distance) C4'-P energy: -12.194 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -10.540 flat angles P-C4'-P energy: -8.063 tors. eta vs tors. theta energy: -3.204 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: 10 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -77.265828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.265828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.265828 (E_RNA) where: Base-Base interactions energy: -32.123 where: short stacking energy: -31.758 Base-Backbone interact. energy: -0.080 local terms energy: -45.063641 where: bonds (distance) C4'-P energy: -10.717 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -9.888 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -4.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -82.166305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.166305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.166305 (E_RNA) where: Base-Base interactions energy: -37.273 where: short stacking energy: -32.548 Base-Backbone interact. energy: -0.064 local terms energy: -44.829756 where: bonds (distance) C4'-P energy: -12.177 bonds (distance) P-C4' energy: -10.918 flat angles C4'-P-C4' energy: -11.098 flat angles P-C4'-P energy: -7.960 tors. eta vs tors. theta energy: -2.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -80.261734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.261734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.261734 (E_RNA) where: Base-Base interactions energy: -31.397 where: short stacking energy: -27.240 Base-Backbone interact. energy: -0.139 local terms energy: -48.725933 where: bonds (distance) C4'-P energy: -9.569 bonds (distance) P-C4' energy: -16.007 flat angles C4'-P-C4' energy: -11.677 flat angles P-C4'-P energy: -12.161 tors. eta vs tors. theta energy: 0.687 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: 1, replica: 7 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -163.646005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.646005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.646005 (E_RNA) where: Base-Base interactions energy: -97.245 where: short stacking energy: -65.545 Base-Backbone interact. energy: -0.046 local terms energy: -66.355298 where: bonds (distance) C4'-P energy: -11.714 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -11.957 flat angles P-C4'-P energy: -11.057 tors. eta vs tors. theta energy: -16.810 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: 2, replica: 6 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -152.330765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.330765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.330765 (E_RNA) where: Base-Base interactions energy: -91.878 where: short stacking energy: -54.603 Base-Backbone interact. energy: -0.003 local terms energy: -60.449549 where: bonds (distance) C4'-P energy: -13.590 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -14.016 flat angles P-C4'-P energy: -10.262 tors. eta vs tors. theta energy: -9.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -136.071343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.071343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.071343 (E_RNA) where: Base-Base interactions energy: -78.041 where: short stacking energy: -52.395 Base-Backbone interact. energy: -0.001 local terms energy: -58.029893 where: bonds (distance) C4'-P energy: -13.288 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -13.892 flat angles P-C4'-P energy: -6.218 tors. eta vs tors. theta energy: -10.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -143.935113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.935113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.935113 (E_RNA) where: Base-Base interactions energy: -86.303 where: short stacking energy: -55.662 Base-Backbone interact. energy: -0.096 local terms energy: -57.536524 where: bonds (distance) C4'-P energy: -11.514 bonds (distance) P-C4' energy: -14.272 flat angles C4'-P-C4' energy: -12.739 flat angles P-C4'-P energy: -7.811 tors. eta vs tors. theta energy: -11.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -99.202188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.202188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.202188 (E_RNA) where: Base-Base interactions energy: -52.561 where: short stacking energy: -36.938 Base-Backbone interact. energy: -0.161 local terms energy: -46.480331 where: bonds (distance) C4'-P energy: -10.882 bonds (distance) P-C4' energy: -13.752 flat angles C4'-P-C4' energy: -13.574 flat angles P-C4'-P energy: -2.616 tors. eta vs tors. theta energy: -5.657 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: 9 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -109.629325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.629325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.629325 (E_RNA) where: Base-Base interactions energy: -55.015 where: short stacking energy: -55.015 Base-Backbone interact. energy: -0.238 local terms energy: -54.376819 where: bonds (distance) C4'-P energy: -12.107 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -10.082 flat angles P-C4'-P energy: -3.998 tors. eta vs tors. theta energy: -13.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -102.357289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.357289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.357289 (E_RNA) where: Base-Base interactions energy: -53.458 where: short stacking energy: -50.602 Base-Backbone interact. energy: 0.780 local terms energy: -49.679341 where: bonds (distance) C4'-P energy: -8.276 bonds (distance) P-C4' energy: -14.800 flat angles C4'-P-C4' energy: -11.467 flat angles P-C4'-P energy: -7.636 tors. eta vs tors. theta energy: -7.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -82.758920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.758920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.758920 (E_RNA) where: Base-Base interactions energy: -35.319 where: short stacking energy: -35.191 Base-Backbone interact. energy: -0.019 local terms energy: -47.420679 where: bonds (distance) C4'-P energy: -12.683 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -11.819 flat angles P-C4'-P energy: -8.695 tors. eta vs tors. theta energy: -0.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -80.609346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.609346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.609346 (E_RNA) where: Base-Base interactions energy: -32.863 where: short stacking energy: -32.863 Base-Backbone interact. energy: -0.166 local terms energy: -47.580545 where: bonds (distance) C4'-P energy: -9.727 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -9.914 flat angles P-C4'-P energy: -8.513 tors. eta vs tors. theta energy: -4.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -70.955447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.955447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.955447 (E_RNA) where: Base-Base interactions energy: -23.540 where: short stacking energy: -23.540 Base-Backbone interact. energy: 0.316 local terms energy: -47.731865 where: bonds (distance) C4'-P energy: -12.973 bonds (distance) P-C4' energy: -13.659 flat angles C4'-P-C4' energy: -9.003 flat angles P-C4'-P energy: -9.334 tors. eta vs tors. theta energy: -2.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -168.310258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.310258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.310258 (E_RNA) where: Base-Base interactions energy: -106.907 where: short stacking energy: -65.778 Base-Backbone interact. energy: -0.000 local terms energy: -61.402824 where: bonds (distance) C4'-P energy: -12.885 bonds (distance) P-C4' energy: -9.082 flat angles C4'-P-C4' energy: -13.878 flat angles P-C4'-P energy: -8.299 tors. eta vs tors. theta energy: -17.258 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: 6 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -152.555347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.555347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.555347 (E_RNA) where: Base-Base interactions energy: -95.579 where: short stacking energy: -50.781 Base-Backbone interact. energy: -0.059 local terms energy: -56.917633 where: bonds (distance) C4'-P energy: -13.786 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -10.577 flat angles P-C4'-P energy: -8.116 tors. eta vs tors. theta energy: -9.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -133.604231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.604231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.604231 (E_RNA) where: Base-Base interactions energy: -75.698 where: short stacking energy: -41.680 Base-Backbone interact. energy: -0.107 local terms energy: -57.799316 where: bonds (distance) C4'-P energy: -13.270 bonds (distance) P-C4' energy: -10.686 flat angles C4'-P-C4' energy: -13.489 flat angles P-C4'-P energy: -8.846 tors. eta vs tors. theta energy: -11.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -141.939723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.939723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.939723 (E_RNA) where: Base-Base interactions energy: -83.458 where: short stacking energy: -48.498 Base-Backbone interact. energy: -0.417 local terms energy: -58.064799 where: bonds (distance) C4'-P energy: -11.883 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -12.713 flat angles P-C4'-P energy: -8.915 tors. eta vs tors. theta energy: -11.680 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: 8 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -92.272023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.272023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.272023 (E_RNA) where: Base-Base interactions energy: -33.953 where: short stacking energy: -33.953 Base-Backbone interact. energy: -1.058 local terms energy: -57.261499 where: bonds (distance) C4'-P energy: -13.923 bonds (distance) P-C4' energy: -10.900 flat angles C4'-P-C4' energy: -14.259 flat angles P-C4'-P energy: -6.967 tors. eta vs tors. theta energy: -11.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -94.557457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.557457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.557457 (E_RNA) where: Base-Base interactions energy: -53.313 where: short stacking energy: -34.035 Base-Backbone interact. energy: -0.594 local terms energy: -40.650496 where: bonds (distance) C4'-P energy: -14.173 bonds (distance) P-C4' energy: -5.119 flat angles C4'-P-C4' energy: -14.314 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -87.808839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.808839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.808839 (E_RNA) where: Base-Base interactions energy: -39.431 where: short stacking energy: -39.431 Base-Backbone interact. energy: -0.024 local terms energy: -48.353770 where: bonds (distance) C4'-P energy: -12.496 bonds (distance) P-C4' energy: -14.931 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -7.647 tors. eta vs tors. theta energy: -6.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -90.821595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.821595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.821595 (E_RNA) where: Base-Base interactions energy: -40.238 where: short stacking energy: -39.124 Base-Backbone interact. energy: -0.104 local terms energy: -50.479814 where: bonds (distance) C4'-P energy: -13.080 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -9.114 flat angles P-C4'-P energy: -9.486 tors. eta vs tors. theta energy: -4.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -86.953496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.953496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.953496 (E_RNA) where: Base-Base interactions energy: -36.283 where: short stacking energy: -31.862 Base-Backbone interact. energy: -0.396 local terms energy: -50.274176 where: bonds (distance) C4'-P energy: -11.937 bonds (distance) P-C4' energy: -9.664 flat angles C4'-P-C4' energy: -13.725 flat angles P-C4'-P energy: -8.252 tors. eta vs tors. theta energy: -6.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -91.044902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.044902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.044902 (E_RNA) where: Base-Base interactions energy: -44.816 where: short stacking energy: -44.816 Base-Backbone interact. energy: -0.150 local terms energy: -46.078921 where: bonds (distance) C4'-P energy: -8.290 bonds (distance) P-C4' energy: -10.567 flat angles C4'-P-C4' energy: -12.519 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -9.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -171.246711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.246711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.246711 (E_RNA) where: Base-Base interactions energy: -103.475 where: short stacking energy: -56.735 Base-Backbone interact. energy: -0.212 local terms energy: -67.559467 where: bonds (distance) C4'-P energy: -12.762 bonds (distance) P-C4' energy: -11.175 flat angles C4'-P-C4' energy: -15.221 flat angles P-C4'-P energy: -10.868 tors. eta vs tors. theta energy: -17.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -140.785700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.785700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.785700 (E_RNA) where: Base-Base interactions energy: -86.432 where: short stacking energy: -49.350 Base-Backbone interact. energy: -0.091 local terms energy: -54.262758 where: bonds (distance) C4'-P energy: -10.315 bonds (distance) P-C4' energy: -12.038 flat angles C4'-P-C4' energy: -12.453 flat angles P-C4'-P energy: -9.722 tors. eta vs tors. theta energy: -9.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -140.964854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.964854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.964854 (E_RNA) where: Base-Base interactions energy: -79.366 where: short stacking energy: -56.733 Base-Backbone interact. energy: -0.004 local terms energy: -61.594914 where: bonds (distance) C4'-P energy: -13.642 bonds (distance) P-C4' energy: -13.781 flat angles C4'-P-C4' energy: -13.616 flat angles P-C4'-P energy: -9.005 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: 4, replica: 5 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -139.407440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.407440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.407440 (E_RNA) where: Base-Base interactions energy: -81.799 where: short stacking energy: -51.768 Base-Backbone interact. energy: -0.113 local terms energy: -57.495658 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -12.697 flat angles C4'-P-C4' energy: -14.236 flat angles P-C4'-P energy: -6.864 tors. eta vs tors. theta energy: -9.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -103.995677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.995677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.995677 (E_RNA) where: Base-Base interactions energy: -46.985 where: short stacking energy: -46.985 Base-Backbone interact. energy: -0.004 local terms energy: -57.005912 where: bonds (distance) C4'-P energy: -14.629 bonds (distance) P-C4' energy: -13.458 flat angles C4'-P-C4' energy: -12.271 flat angles P-C4'-P energy: -8.233 tors. eta vs tors. theta energy: -8.415 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: 4 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -101.390918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.390918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.390918 (E_RNA) where: Base-Base interactions energy: -48.362 where: short stacking energy: -48.362 Base-Backbone interact. energy: -0.054 local terms energy: -52.974809 where: bonds (distance) C4'-P energy: -12.157 bonds (distance) P-C4' energy: -9.869 flat angles C4'-P-C4' energy: -14.144 flat angles P-C4'-P energy: -9.072 tors. eta vs tors. theta energy: -7.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -91.904870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.904870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.904870 (E_RNA) where: Base-Base interactions energy: -40.688 where: short stacking energy: -40.688 Base-Backbone interact. energy: -0.017 local terms energy: -51.200242 where: bonds (distance) C4'-P energy: -12.832 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -10.425 flat angles P-C4'-P energy: -10.373 tors. eta vs tors. theta energy: -4.166 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: 2 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -95.044992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.044992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.044992 (E_RNA) where: Base-Base interactions energy: -39.101 where: short stacking energy: -39.101 Base-Backbone interact. energy: -0.001 local terms energy: -55.943359 where: bonds (distance) C4'-P energy: -10.324 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -15.158 flat angles P-C4'-P energy: -7.368 tors. eta vs tors. theta energy: -9.564 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: 1 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -75.951452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.951452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.951452 (E_RNA) where: Base-Base interactions energy: -35.065 where: short stacking energy: -26.865 Base-Backbone interact. energy: -0.214 local terms energy: -40.672217 where: bonds (distance) C4'-P energy: -12.214 bonds (distance) P-C4' energy: -12.777 flat angles C4'-P-C4' energy: -4.230 flat angles P-C4'-P energy: -5.938 tors. eta vs tors. theta energy: -5.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -68.004652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.004652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.004652 (E_RNA) where: Base-Base interactions energy: -28.022 where: short stacking energy: -26.686 Base-Backbone interact. energy: -0.074 local terms energy: -39.909331 where: bonds (distance) C4'-P energy: -10.828 bonds (distance) P-C4' energy: -12.940 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -4.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -175.598037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.598037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.598037 (E_RNA) where: Base-Base interactions energy: -104.083 where: short stacking energy: -66.953 Base-Backbone interact. energy: -0.088 local terms energy: -71.427168 where: bonds (distance) C4'-P energy: -15.319 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -11.181 flat angles P-C4'-P energy: -11.314 tors. eta vs tors. theta energy: -17.618 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: 2, replica: 3 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -164.143464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.143464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.143464 (E_RNA) where: Base-Base interactions energy: -98.166 where: short stacking energy: -64.516 Base-Backbone interact. energy: -0.501 local terms energy: -65.476241 where: bonds (distance) C4'-P energy: -12.869 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -13.170 flat angles P-C4'-P energy: -7.342 tors. eta vs tors. theta energy: -18.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -147.425337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.425337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.425337 (E_RNA) where: Base-Base interactions energy: -86.114 where: short stacking energy: -45.503 Base-Backbone interact. energy: -1.093 local terms energy: -60.218648 where: bonds (distance) C4'-P energy: -13.118 bonds (distance) P-C4' energy: -15.513 flat angles C4'-P-C4' energy: -12.637 flat angles P-C4'-P energy: -8.744 tors. eta vs tors. theta energy: -10.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -130.270393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.270393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.270393 (E_RNA) where: Base-Base interactions energy: -80.934 where: short stacking energy: -45.159 Base-Backbone interact. energy: -0.013 local terms energy: -49.322999 where: bonds (distance) C4'-P energy: -13.564 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -9.926 flat angles P-C4'-P energy: -7.676 tors. eta vs tors. theta energy: -7.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -96.271499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.271499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.271499 (E_RNA) where: Base-Base interactions energy: -40.123 where: short stacking energy: -40.123 Base-Backbone interact. energy: -0.090 local terms energy: -56.058218 where: bonds (distance) C4'-P energy: -12.984 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -11.027 flat angles P-C4'-P energy: -8.186 tors. eta vs tors. theta energy: -8.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -103.542515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.542515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.542515 (E_RNA) where: Base-Base interactions energy: -51.898 where: short stacking energy: -44.972 Base-Backbone interact. energy: -0.019 local terms energy: -51.625313 where: bonds (distance) C4'-P energy: -6.482 bonds (distance) P-C4' energy: -13.776 flat angles C4'-P-C4' energy: -11.491 flat angles P-C4'-P energy: -8.840 tors. eta vs tors. theta energy: -11.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -92.178357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.178357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.178357 (E_RNA) where: Base-Base interactions energy: -45.969 where: short stacking energy: -34.962 Base-Backbone interact. energy: -0.003 local terms energy: -46.206959 where: bonds (distance) C4'-P energy: -10.385 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -13.217 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -3.367 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: 9 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -93.189339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.189339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.189339 (E_RNA) where: Base-Base interactions energy: -58.475 where: short stacking energy: -43.224 Base-Backbone interact. energy: -0.111 local terms energy: -34.602776 where: bonds (distance) C4'-P energy: -11.034 bonds (distance) P-C4' energy: -9.544 flat angles C4'-P-C4' energy: -10.416 flat angles P-C4'-P energy: -2.366 tors. eta vs tors. theta energy: -1.243 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: 10 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -73.045389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.045389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.045389 (E_RNA) where: Base-Base interactions energy: -30.473 where: short stacking energy: -30.473 Base-Backbone interact. energy: -0.140 local terms energy: -42.432621 where: bonds (distance) C4'-P energy: -8.791 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -10.836 flat angles P-C4'-P energy: -6.927 tors. eta vs tors. theta energy: -2.750 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: 1 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -71.068984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.068984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.068984 (E_RNA) where: Base-Base interactions energy: -25.990 where: short stacking energy: -25.990 Base-Backbone interact. energy: 0.227 local terms energy: -45.305899 where: bonds (distance) C4'-P energy: -7.251 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -12.465 flat angles P-C4'-P energy: -7.739 tors. eta vs tors. theta energy: -3.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -174.038954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.038954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.038954 (E_RNA) where: Base-Base interactions energy: -110.291 where: short stacking energy: -67.408 Base-Backbone interact. energy: -0.067 local terms energy: -63.680213 where: bonds (distance) C4'-P energy: -8.592 bonds (distance) P-C4' energy: -14.124 flat angles C4'-P-C4' energy: -14.184 flat angles P-C4'-P energy: -9.988 tors. eta vs tors. theta energy: -16.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -160.288571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.288571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.288571 (E_RNA) where: Base-Base interactions energy: -94.972 where: short stacking energy: -65.028 Base-Backbone interact. energy: -0.000 local terms energy: -65.316518 where: bonds (distance) C4'-P energy: -14.289 bonds (distance) P-C4' energy: -9.496 flat angles C4'-P-C4' energy: -14.100 flat angles P-C4'-P energy: -10.849 tors. eta vs tors. theta energy: -16.582 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: 139 Temperature: 1.000000 Total energy: -145.282287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.282287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.282287 (E_RNA) where: Base-Base interactions energy: -86.323 where: short stacking energy: -50.357 Base-Backbone interact. energy: -0.082 local terms energy: -58.876559 where: bonds (distance) C4'-P energy: -14.492 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -11.909 flat angles P-C4'-P energy: -7.809 tors. eta vs tors. theta energy: -10.035 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: 4, replica: 5 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -145.977050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.977050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.977050 (E_RNA) where: Base-Base interactions energy: -94.448 where: short stacking energy: -63.679 Base-Backbone interact. energy: -0.321 local terms energy: -51.208169 where: bonds (distance) C4'-P energy: -6.403 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -9.656 flat angles P-C4'-P energy: -9.000 tors. eta vs tors. theta energy: -11.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -91.067668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.067668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.067668 (E_RNA) where: Base-Base interactions energy: -41.063 where: short stacking energy: -41.063 Base-Backbone interact. energy: -0.002 local terms energy: -50.002735 where: bonds (distance) C4'-P energy: -12.781 bonds (distance) P-C4' energy: -8.160 flat angles C4'-P-C4' energy: -13.196 flat angles P-C4'-P energy: -6.815 tors. eta vs tors. theta energy: -9.050 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: 2 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -88.737136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.737136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.737136 (E_RNA) where: Base-Base interactions energy: -42.301 where: short stacking energy: -37.288 Base-Backbone interact. energy: -0.518 local terms energy: -45.918130 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -9.418 flat angles P-C4'-P energy: -8.971 tors. eta vs tors. theta energy: -5.834 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: 8 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -94.207713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.207713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.207713 (E_RNA) where: Base-Base interactions energy: -47.238 where: short stacking energy: -35.272 Base-Backbone interact. energy: -0.052 local terms energy: -46.917154 where: bonds (distance) C4'-P energy: -9.506 bonds (distance) P-C4' energy: -12.396 flat angles C4'-P-C4' energy: -11.500 flat angles P-C4'-P energy: -7.957 tors. eta vs tors. theta energy: -5.557 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: 10 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -98.549917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.549917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.549917 (E_RNA) where: Base-Base interactions energy: -48.259 where: short stacking energy: -48.259 Base-Backbone interact. energy: -0.005 local terms energy: -50.285235 where: bonds (distance) C4'-P energy: -11.118 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -9.941 flat angles P-C4'-P energy: -2.178 tors. eta vs tors. theta energy: -11.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -70.767549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.767549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.767549 (E_RNA) where: Base-Base interactions energy: -28.364 where: short stacking energy: -16.868 Base-Backbone interact. energy: -1.496 local terms energy: -40.907371 where: bonds (distance) C4'-P energy: -8.170 bonds (distance) P-C4' energy: -11.654 flat angles C4'-P-C4' energy: -12.976 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -3.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -70.873635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.873635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.873635 (E_RNA) where: Base-Base interactions energy: -26.645 where: short stacking energy: -25.101 Base-Backbone interact. energy: -0.027 local terms energy: -44.201657 where: bonds (distance) C4'-P energy: -13.497 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -10.340 flat angles P-C4'-P energy: -3.327 tors. eta vs tors. theta energy: -2.201 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: 3 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -165.185936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.185936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.185936 (E_RNA) where: Base-Base interactions energy: -94.809 where: short stacking energy: -63.242 Base-Backbone interact. energy: -0.685 local terms energy: -69.691958 where: bonds (distance) C4'-P energy: -14.078 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -13.619 flat angles P-C4'-P energy: -9.439 tors. eta vs tors. theta energy: -17.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -165.368876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.368876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.368876 (E_RNA) where: Base-Base interactions energy: -100.792 where: short stacking energy: -68.946 Base-Backbone interact. energy: -0.295 local terms energy: -64.282031 where: bonds (distance) C4'-P energy: -12.311 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -13.550 flat angles P-C4'-P energy: -5.523 tors. eta vs tors. theta energy: -19.584 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: 5 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -143.976323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.976323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.976323 (E_RNA) where: Base-Base interactions energy: -86.793 where: short stacking energy: -53.969 Base-Backbone interact. energy: -0.118 local terms energy: -57.065247 where: bonds (distance) C4'-P energy: -10.132 bonds (distance) P-C4' energy: -14.807 flat angles C4'-P-C4' energy: -12.978 flat angles P-C4'-P energy: -9.241 tors. eta vs tors. theta energy: -9.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -149.147143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.147143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.147143 (E_RNA) where: Base-Base interactions energy: -88.773 where: short stacking energy: -57.199 Base-Backbone interact. energy: -0.034 local terms energy: -60.340183 where: bonds (distance) C4'-P energy: -11.507 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -11.147 flat angles P-C4'-P energy: -9.213 tors. eta vs tors. theta energy: -13.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -95.305547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.305547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.305547 (E_RNA) where: Base-Base interactions energy: -45.578 where: short stacking energy: -43.286 Base-Backbone interact. energy: -0.133 local terms energy: -49.594404 where: bonds (distance) C4'-P energy: -9.558 bonds (distance) P-C4' energy: -12.085 flat angles C4'-P-C4' energy: -13.983 flat angles P-C4'-P energy: -5.713 tors. eta vs tors. theta energy: -8.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -98.244681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.244681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.244681 (E_RNA) where: Base-Base interactions energy: -55.967 where: short stacking energy: -41.296 Base-Backbone interact. energy: -0.110 local terms energy: -42.167671 where: bonds (distance) C4'-P energy: -6.832 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -6.693 tors. eta vs tors. theta energy: -8.791 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: 7, replica: 8 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -92.700583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.700583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.700583 (E_RNA) where: Base-Base interactions energy: -44.214 where: short stacking energy: -44.214 Base-Backbone interact. energy: -0.024 local terms energy: -48.463259 where: bonds (distance) C4'-P energy: -12.773 bonds (distance) P-C4' energy: -11.969 flat angles C4'-P-C4' energy: -12.965 flat angles P-C4'-P energy: -6.762 tors. eta vs tors. theta energy: -3.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -85.472017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.472017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.472017 (E_RNA) where: Base-Base interactions energy: -36.884 where: short stacking energy: -35.078 Base-Backbone interact. energy: -0.048 local terms energy: -48.540041 where: bonds (distance) C4'-P energy: -11.221 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -8.628 flat angles P-C4'-P energy: -9.075 tors. eta vs tors. theta energy: -4.992 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: 1 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -75.971295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.971295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.971295 (E_RNA) where: Base-Base interactions energy: -29.090 where: short stacking energy: -26.711 Base-Backbone interact. energy: 0.372 local terms energy: -47.253318 where: bonds (distance) C4'-P energy: -9.511 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -10.263 flat angles P-C4'-P energy: -8.599 tors. eta vs tors. theta energy: -4.263 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: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -76.980471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.980471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.980471 (E_RNA) where: Base-Base interactions energy: -33.087 where: short stacking energy: -28.549 Base-Backbone interact. energy: -0.052 local terms energy: -43.841729 where: bonds (distance) C4'-P energy: -12.033 bonds (distance) P-C4' energy: -12.523 flat angles C4'-P-C4' energy: -10.144 flat angles P-C4'-P energy: -7.843 tors. eta vs tors. theta energy: -1.299 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: 3 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -153.279540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.279540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.279540 (E_RNA) where: Base-Base interactions energy: -84.952 where: short stacking energy: -57.399 Base-Backbone interact. energy: -0.256 local terms energy: -68.070923 where: bonds (distance) C4'-P energy: -14.492 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -14.771 flat angles P-C4'-P energy: -11.654 tors. eta vs tors. theta energy: -12.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -154.240527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.240527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.240527 (E_RNA) where: Base-Base interactions energy: -93.772 where: short stacking energy: -58.976 Base-Backbone interact. energy: -0.080 local terms energy: -60.388930 where: bonds (distance) C4'-P energy: -13.820 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -11.941 flat angles P-C4'-P energy: -10.810 tors. eta vs tors. theta energy: -10.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -153.320232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.320232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.320232 (E_RNA) where: Base-Base interactions energy: -92.485 where: short stacking energy: -56.484 Base-Backbone interact. energy: -0.042 local terms energy: -60.793114 where: bonds (distance) C4'-P energy: -12.728 bonds (distance) P-C4' energy: -12.459 flat angles C4'-P-C4' energy: -13.982 flat angles P-C4'-P energy: -10.676 tors. eta vs tors. theta energy: -10.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -147.375157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.375157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.375157 (E_RNA) where: Base-Base interactions energy: -89.957 where: short stacking energy: -57.682 Base-Backbone interact. energy: -0.036 local terms energy: -57.382148 where: bonds (distance) C4'-P energy: -8.740 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -13.121 flat angles P-C4'-P energy: -7.813 tors. eta vs tors. theta energy: -13.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -108.493720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.493720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.493720 (E_RNA) where: Base-Base interactions energy: -53.104 where: short stacking energy: -51.446 Base-Backbone interact. energy: -0.029 local terms energy: -55.360517 where: bonds (distance) C4'-P energy: -11.527 bonds (distance) P-C4' energy: -11.011 flat angles C4'-P-C4' energy: -12.796 flat angles P-C4'-P energy: -10.216 tors. eta vs tors. theta energy: -9.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -92.208415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.208415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.208415 (E_RNA) where: Base-Base interactions energy: -37.347 where: short stacking energy: -34.434 Base-Backbone interact. energy: -0.067 local terms energy: -54.794287 where: bonds (distance) C4'-P energy: -10.829 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -12.052 flat angles P-C4'-P energy: -7.929 tors. eta vs tors. theta energy: -8.433 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: 141 Temperature: 1.200000 Total energy: -92.886214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.886214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.886214 (E_RNA) where: Base-Base interactions energy: -44.612 where: short stacking energy: -31.808 Base-Backbone interact. energy: -0.091 local terms energy: -48.182850 where: bonds (distance) C4'-P energy: -8.316 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -12.802 flat angles P-C4'-P energy: -8.538 tors. eta vs tors. theta energy: -4.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -84.951769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.951769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.951769 (E_RNA) where: Base-Base interactions energy: -38.407 where: short stacking energy: -38.407 Base-Backbone interact. energy: -0.169 local terms energy: -46.375212 where: bonds (distance) C4'-P energy: -10.201 bonds (distance) P-C4' energy: -11.849 flat angles C4'-P-C4' energy: -12.270 flat angles P-C4'-P energy: -5.999 tors. eta vs tors. theta energy: -6.057 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: 1 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -84.148706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.148706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.148706 (E_RNA) where: Base-Base interactions energy: -35.810 where: short stacking energy: -35.810 Base-Backbone interact. energy: -0.032 local terms energy: -48.307094 where: bonds (distance) C4'-P energy: -11.287 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -14.463 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -4.424 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: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -67.488345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.488345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.488345 (E_RNA) where: Base-Base interactions energy: -29.954 where: short stacking energy: -29.954 Base-Backbone interact. energy: 0.122 local terms energy: -37.655467 where: bonds (distance) C4'-P energy: -10.438 bonds (distance) P-C4' energy: -7.498 flat angles C4'-P-C4' energy: -11.350 flat angles P-C4'-P energy: -2.938 tors. eta vs tors. theta energy: -5.433 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: 1, replica: 5 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -167.376867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.376867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.376867 (E_RNA) where: Base-Base interactions energy: -102.035 where: short stacking energy: -64.286 Base-Backbone interact. energy: -0.021 local terms energy: -65.320396 where: bonds (distance) C4'-P energy: -13.536 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -12.984 flat angles P-C4'-P energy: -9.899 tors. eta vs tors. theta energy: -16.170 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: 3 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -144.066640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.066640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.066640 (E_RNA) where: Base-Base interactions energy: -83.157 where: short stacking energy: -56.516 Base-Backbone interact. energy: -0.356 local terms energy: -60.553143 where: bonds (distance) C4'-P energy: -12.592 bonds (distance) P-C4' energy: -13.282 flat angles C4'-P-C4' energy: -12.333 flat angles P-C4'-P energy: -11.810 tors. eta vs tors. theta energy: -10.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -160.468578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.468578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.468578 (E_RNA) where: Base-Base interactions energy: -95.188 where: short stacking energy: -54.107 Base-Backbone interact. energy: -0.135 local terms energy: -65.146212 where: bonds (distance) C4'-P energy: -13.597 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -14.297 flat angles P-C4'-P energy: -11.446 tors. eta vs tors. theta energy: -11.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -140.817728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.817728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.817728 (E_RNA) where: Base-Base interactions energy: -72.628 where: short stacking energy: -53.919 Base-Backbone interact. energy: -0.042 local terms energy: -68.147967 where: bonds (distance) C4'-P energy: -12.170 bonds (distance) P-C4' energy: -16.467 flat angles C4'-P-C4' energy: -12.209 flat angles P-C4'-P energy: -12.602 tors. eta vs tors. theta energy: -14.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -90.300156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.300156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.300156 (E_RNA) where: Base-Base interactions energy: -38.387 where: short stacking energy: -38.387 Base-Backbone interact. energy: -0.070 local terms energy: -51.843302 where: bonds (distance) C4'-P energy: -11.619 bonds (distance) P-C4' energy: -13.921 flat angles C4'-P-C4' energy: -10.123 flat angles P-C4'-P energy: -11.012 tors. eta vs tors. theta energy: -5.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -105.176077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.176077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.176077 (E_RNA) where: Base-Base interactions energy: -44.364 where: short stacking energy: -44.364 Base-Backbone interact. energy: -0.046 local terms energy: -60.766250 where: bonds (distance) C4'-P energy: -13.395 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -12.944 flat angles P-C4'-P energy: -9.309 tors. eta vs tors. theta energy: -9.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -79.291830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.291830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.291830 (E_RNA) where: Base-Base interactions energy: -35.463 where: short stacking energy: -35.463 Base-Backbone interact. energy: -0.009 local terms energy: -43.819506 where: bonds (distance) C4'-P energy: -13.768 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -10.192 flat angles P-C4'-P energy: -2.766 tors. eta vs tors. theta energy: -3.547 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: 10 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -80.317782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.317782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.317782 (E_RNA) where: Base-Base interactions energy: -32.646 where: short stacking energy: -32.646 Base-Backbone interact. energy: -0.208 local terms energy: -47.463186 where: bonds (distance) C4'-P energy: -11.307 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -11.105 flat angles P-C4'-P energy: -7.163 tors. eta vs tors. theta energy: -3.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -91.239768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.239768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.239768 (E_RNA) where: Base-Base interactions energy: -39.128 where: short stacking energy: -39.128 Base-Backbone interact. energy: -0.090 local terms energy: -52.021970 where: bonds (distance) C4'-P energy: -11.813 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -10.823 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: -11.526 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: 1 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -78.096210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.096210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.096210 (E_RNA) where: Base-Base interactions energy: -30.569 where: short stacking energy: -29.974 Base-Backbone interact. energy: 0.505 local terms energy: -48.032388 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -10.070 flat angles C4'-P-C4' energy: -10.499 flat angles P-C4'-P energy: -7.050 tors. eta vs tors. theta energy: -6.734 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: 5 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -157.410652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.410652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.410652 (E_RNA) where: Base-Base interactions energy: -94.808 where: short stacking energy: -49.721 Base-Backbone interact. energy: -0.001 local terms energy: -62.601862 where: bonds (distance) C4'-P energy: -12.761 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -10.633 flat angles P-C4'-P energy: -8.665 tors. eta vs tors. theta energy: -15.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -150.183645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.183645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.183645 (E_RNA) where: Base-Base interactions energy: -91.422 where: short stacking energy: -58.828 Base-Backbone interact. energy: -0.006 local terms energy: -58.755999 where: bonds (distance) C4'-P energy: -8.228 bonds (distance) P-C4' energy: -15.164 flat angles C4'-P-C4' energy: -14.743 flat angles P-C4'-P energy: -9.111 tors. eta vs tors. theta energy: -11.510 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: 3 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -146.687699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.687699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.687699 (E_RNA) where: Base-Base interactions energy: -90.609 where: short stacking energy: -53.663 Base-Backbone interact. energy: -0.472 local terms energy: -55.607292 where: bonds (distance) C4'-P energy: -13.155 bonds (distance) P-C4' energy: -13.385 flat angles C4'-P-C4' energy: -12.961 flat angles P-C4'-P energy: -3.414 tors. eta vs tors. theta energy: -12.692 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: 7 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -138.954334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.954334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.954334 (E_RNA) where: Base-Base interactions energy: -83.481 where: short stacking energy: -51.200 Base-Backbone interact. energy: 0.270 local terms energy: -55.743681 where: bonds (distance) C4'-P energy: -11.725 bonds (distance) P-C4' energy: -11.379 flat angles C4'-P-C4' energy: -14.419 flat angles P-C4'-P energy: -4.993 tors. eta vs tors. theta energy: -13.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -86.604225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.604225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.604225 (E_RNA) where: Base-Base interactions energy: -42.116 where: short stacking energy: -36.767 Base-Backbone interact. energy: -0.007 local terms energy: -44.481461 where: bonds (distance) C4'-P energy: -7.060 bonds (distance) P-C4' energy: -12.389 flat angles C4'-P-C4' energy: -11.710 flat angles P-C4'-P energy: -11.373 tors. eta vs tors. theta energy: -1.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -98.651345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.651345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.651345 (E_RNA) where: Base-Base interactions energy: -49.663 where: short stacking energy: -45.786 Base-Backbone interact. energy: -0.288 local terms energy: -48.700394 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -13.340 flat angles C4'-P-C4' energy: -10.469 flat angles P-C4'-P energy: -8.107 tors. eta vs tors. theta energy: -2.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -79.315621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.315621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.315621 (E_RNA) where: Base-Base interactions energy: -29.021 where: short stacking energy: -28.330 Base-Backbone interact. energy: -0.274 local terms energy: -50.020003 where: bonds (distance) C4'-P energy: -11.308 bonds (distance) P-C4' energy: -14.030 flat angles C4'-P-C4' energy: -13.192 flat angles P-C4'-P energy: -7.123 tors. eta vs tors. theta energy: -4.367 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: 9 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -90.783199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.783199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.783199 (E_RNA) where: Base-Base interactions energy: -39.997 where: short stacking energy: -32.538 Base-Backbone interact. energy: -0.185 local terms energy: -50.601063 where: bonds (distance) C4'-P energy: -10.965 bonds (distance) P-C4' energy: -11.799 flat angles C4'-P-C4' energy: -13.556 flat angles P-C4'-P energy: -7.697 tors. eta vs tors. theta energy: -6.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -84.892432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.892432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.892432 (E_RNA) where: Base-Base interactions energy: -41.034 where: short stacking energy: -41.034 Base-Backbone interact. energy: -0.083 local terms energy: -43.775925 where: bonds (distance) C4'-P energy: -11.345 bonds (distance) P-C4' energy: -9.812 flat angles C4'-P-C4' energy: -9.696 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -9.751 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: 1 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -82.327927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.327927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.327927 (E_RNA) where: Base-Base interactions energy: -33.788 where: short stacking energy: -28.337 Base-Backbone interact. energy: -0.120 local terms energy: -48.419918 where: bonds (distance) C4'-P energy: -13.171 bonds (distance) P-C4' energy: -12.559 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -8.582 tors. eta vs tors. theta energy: -5.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -161.240382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.240382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.240382 (E_RNA) where: Base-Base interactions energy: -101.257 where: short stacking energy: -60.839 Base-Backbone interact. energy: 0.617 local terms energy: -60.600033 where: bonds (distance) C4'-P energy: -10.170 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -13.671 flat angles P-C4'-P energy: -6.149 tors. eta vs tors. theta energy: -16.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -160.890641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.890641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.890641 (E_RNA) where: Base-Base interactions energy: -99.749 where: short stacking energy: -66.079 Base-Backbone interact. energy: -0.015 local terms energy: -61.126269 where: bonds (distance) C4'-P energy: -9.928 bonds (distance) P-C4' energy: -11.857 flat angles C4'-P-C4' energy: -16.333 flat angles P-C4'-P energy: -9.530 tors. eta vs tors. theta energy: -13.478 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: 3 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -141.411168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.411168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.411168 (E_RNA) where: Base-Base interactions energy: -79.925 where: short stacking energy: -41.864 Base-Backbone interact. energy: -0.194 local terms energy: -61.291298 where: bonds (distance) C4'-P energy: -13.564 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -13.190 flat angles P-C4'-P energy: -11.913 tors. eta vs tors. theta energy: -7.320 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: 4, replica: 7 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -127.252439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.252439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.252439 (E_RNA) where: Base-Base interactions energy: -80.636 where: short stacking energy: -48.537 Base-Backbone interact. energy: -0.110 local terms energy: -46.506767 where: bonds (distance) C4'-P energy: -10.741 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -10.170 flat angles P-C4'-P energy: -8.496 tors. eta vs tors. theta energy: -10.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -98.663480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.663480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.663480 (E_RNA) where: Base-Base interactions energy: -46.031 where: short stacking energy: -43.047 Base-Backbone interact. energy: -0.025 local terms energy: -52.607354 where: bonds (distance) C4'-P energy: -13.978 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -9.879 flat angles P-C4'-P energy: -7.343 tors. eta vs tors. theta energy: -8.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -106.448760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.448760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.448760 (E_RNA) where: Base-Base interactions energy: -59.606 where: short stacking energy: -41.441 Base-Backbone interact. energy: -0.092 local terms energy: -46.750695 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -12.730 flat angles P-C4'-P energy: -7.367 tors. eta vs tors. theta energy: -6.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -93.811777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.811777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.811777 (E_RNA) where: Base-Base interactions energy: -45.681 where: short stacking energy: -36.397 Base-Backbone interact. energy: -0.059 local terms energy: -48.071938 where: bonds (distance) C4'-P energy: -8.153 bonds (distance) P-C4' energy: -14.080 flat angles C4'-P-C4' energy: -11.440 flat angles P-C4'-P energy: -5.285 tors. eta vs tors. theta energy: -9.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -87.385827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.385827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.385827 (E_RNA) where: Base-Base interactions energy: -42.081 where: short stacking energy: -41.010 Base-Backbone interact. energy: -0.091 local terms energy: -45.213535 where: bonds (distance) C4'-P energy: -11.247 bonds (distance) P-C4' energy: -10.788 flat angles C4'-P-C4' energy: -9.661 flat angles P-C4'-P energy: -7.781 tors. eta vs tors. theta energy: -5.738 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: 1 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -77.076557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.076557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.076557 (E_RNA) where: Base-Base interactions energy: -36.038 where: short stacking energy: -35.589 Base-Backbone interact. energy: -0.116 local terms energy: -40.922474 where: bonds (distance) C4'-P energy: -10.277 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -5.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -78.467862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.467862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.467862 (E_RNA) where: Base-Base interactions energy: -39.532 where: short stacking energy: -27.544 Base-Backbone interact. energy: -0.168 local terms energy: -38.767824 where: bonds (distance) C4'-P energy: -8.401 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -11.928 flat angles P-C4'-P energy: -6.353 tors. eta vs tors. theta energy: 0.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -155.620769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.620769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.620769 (E_RNA) where: Base-Base interactions energy: -91.833 where: short stacking energy: -58.114 Base-Backbone interact. energy: -0.001 local terms energy: -63.786867 where: bonds (distance) C4'-P energy: -11.330 bonds (distance) P-C4' energy: -16.728 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -8.012 tors. eta vs tors. theta energy: -14.126 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: 3 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -149.562516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.562516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.562516 (E_RNA) where: Base-Base interactions energy: -93.476 where: short stacking energy: -60.631 Base-Backbone interact. energy: -0.236 local terms energy: -55.850823 where: bonds (distance) C4'-P energy: -12.677 bonds (distance) P-C4' energy: -9.748 flat angles C4'-P-C4' energy: -13.769 flat angles P-C4'-P energy: -7.115 tors. eta vs tors. theta energy: -12.542 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: 6 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -153.508362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.508362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.508362 (E_RNA) where: Base-Base interactions energy: -93.121 where: short stacking energy: -59.355 Base-Backbone interact. energy: -0.523 local terms energy: -59.863700 where: bonds (distance) C4'-P energy: -11.643 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -10.174 flat angles P-C4'-P energy: -8.352 tors. eta vs tors. theta energy: -13.516 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: 2 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -114.348018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.348018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.348018 (E_RNA) where: Base-Base interactions energy: -61.567 where: short stacking energy: -45.258 Base-Backbone interact. energy: -0.024 local terms energy: -52.756702 where: bonds (distance) C4'-P energy: -8.248 bonds (distance) P-C4' energy: -13.756 flat angles C4'-P-C4' energy: -9.584 flat angles P-C4'-P energy: -9.902 tors. eta vs tors. theta energy: -11.266 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: 5, replica: 7 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -97.987685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.987685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.987685 (E_RNA) where: Base-Base interactions energy: -45.528 where: short stacking energy: -45.528 Base-Backbone interact. energy: -0.015 local terms energy: -52.444749 where: bonds (distance) C4'-P energy: -13.676 bonds (distance) P-C4' energy: -12.497 flat angles C4'-P-C4' energy: -13.786 flat angles P-C4'-P energy: -6.758 tors. eta vs tors. theta energy: -5.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -106.691574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.691574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.691574 (E_RNA) where: Base-Base interactions energy: -48.505 where: short stacking energy: -43.482 Base-Backbone interact. energy: -0.003 local terms energy: -58.183916 where: bonds (distance) C4'-P energy: -10.310 bonds (distance) P-C4' energy: -13.745 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -8.860 tors. eta vs tors. theta energy: -12.552 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: 145 Temperature: 1.200000 Total energy: -102.895863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.895863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.895863 (E_RNA) where: Base-Base interactions energy: -52.180 where: short stacking energy: -48.164 Base-Backbone interact. energy: -0.002 local terms energy: -50.714720 where: bonds (distance) C4'-P energy: -10.302 bonds (distance) P-C4' energy: -10.979 flat angles C4'-P-C4' energy: -10.956 flat angles P-C4'-P energy: -6.762 tors. eta vs tors. theta energy: -11.715 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: 4 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -78.571328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.571328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.571328 (E_RNA) where: Base-Base interactions energy: -25.828 where: short stacking energy: -25.828 Base-Backbone interact. energy: -0.077 local terms energy: -52.666633 where: bonds (distance) C4'-P energy: -11.342 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -15.851 flat angles P-C4'-P energy: -7.403 tors. eta vs tors. theta energy: -7.390 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: 1 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -79.274884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.274884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.274884 (E_RNA) where: Base-Base interactions energy: -33.251 where: short stacking energy: -33.251 Base-Backbone interact. energy: -0.063 local terms energy: -45.960563 where: bonds (distance) C4'-P energy: -10.286 bonds (distance) P-C4' energy: -13.701 flat angles C4'-P-C4' energy: -9.843 flat angles P-C4'-P energy: -7.483 tors. eta vs tors. theta energy: -4.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -75.887627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.887627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.887627 (E_RNA) where: Base-Base interactions energy: -40.177 where: short stacking energy: -36.055 Base-Backbone interact. energy: 1.001 local terms energy: -36.711759 where: bonds (distance) C4'-P energy: -9.718 bonds (distance) P-C4' energy: -9.418 flat angles C4'-P-C4' energy: -11.433 flat angles P-C4'-P energy: -1.326 tors. eta vs tors. theta energy: -4.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -152.290671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.290671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.290671 (E_RNA) where: Base-Base interactions energy: -92.913 where: short stacking energy: -57.703 Base-Backbone interact. energy: -0.017 local terms energy: -59.360547 where: bonds (distance) C4'-P energy: -14.244 bonds (distance) P-C4' energy: -13.395 flat angles C4'-P-C4' energy: -11.795 flat angles P-C4'-P energy: -8.074 tors. eta vs tors. theta energy: -11.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -155.800780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.800780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.800780 (E_RNA) where: Base-Base interactions energy: -94.665 where: short stacking energy: -63.234 Base-Backbone interact. energy: -0.269 local terms energy: -60.867594 where: bonds (distance) C4'-P energy: -12.327 bonds (distance) P-C4' energy: -13.249 flat angles C4'-P-C4' energy: -11.001 flat angles P-C4'-P energy: -8.126 tors. eta vs tors. theta energy: -16.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -143.399315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.399315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.399315 (E_RNA) where: Base-Base interactions energy: -82.158 where: short stacking energy: -50.438 Base-Backbone interact. energy: -0.486 local terms energy: -60.754981 where: bonds (distance) C4'-P energy: -12.139 bonds (distance) P-C4' energy: -14.486 flat angles C4'-P-C4' energy: -12.582 flat angles P-C4'-P energy: -10.211 tors. eta vs tors. theta energy: -11.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -102.630160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.630160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.630160 (E_RNA) where: Base-Base interactions energy: -54.490 where: short stacking energy: -46.393 Base-Backbone interact. energy: -0.055 local terms energy: -48.085145 where: bonds (distance) C4'-P energy: -9.942 bonds (distance) P-C4' energy: -10.908 flat angles C4'-P-C4' energy: -10.929 flat angles P-C4'-P energy: -3.764 tors. eta vs tors. theta energy: -12.542 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: 9 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -101.967653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.967653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.967653 (E_RNA) where: Base-Base interactions energy: -50.565 where: short stacking energy: -29.699 Base-Backbone interact. energy: -0.056 local terms energy: -51.346732 where: bonds (distance) C4'-P energy: -14.156 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: -9.944 tors. eta vs tors. theta energy: -4.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -111.973425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.973425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.973425 (E_RNA) where: Base-Base interactions energy: -57.677 where: short stacking energy: -41.651 Base-Backbone interact. energy: -0.182 local terms energy: -54.114222 where: bonds (distance) C4'-P energy: -12.728 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -10.691 flat angles P-C4'-P energy: -8.690 tors. eta vs tors. theta energy: -8.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -82.038244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.038244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.038244 (E_RNA) where: Base-Base interactions energy: -35.094 where: short stacking energy: -30.359 Base-Backbone interact. energy: -0.366 local terms energy: -46.577727 where: bonds (distance) C4'-P energy: -10.195 bonds (distance) P-C4' energy: -14.976 flat angles C4'-P-C4' energy: -10.950 flat angles P-C4'-P energy: -6.799 tors. eta vs tors. theta energy: -3.658 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: 8 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -90.219186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.219186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.219186 (E_RNA) where: Base-Base interactions energy: -40.784 where: short stacking energy: -40.784 Base-Backbone interact. energy: -0.008 local terms energy: -49.427196 where: bonds (distance) C4'-P energy: -11.490 bonds (distance) P-C4' energy: -10.597 flat angles C4'-P-C4' energy: -13.672 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: -8.481 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: 10 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -103.804874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.804874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.804874 (E_RNA) where: Base-Base interactions energy: -50.059 where: short stacking energy: -50.059 Base-Backbone interact. energy: -0.100 local terms energy: -53.645613 where: bonds (distance) C4'-P energy: -12.086 bonds (distance) P-C4' energy: -13.615 flat angles C4'-P-C4' energy: -11.544 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: -11.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -78.482075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.482075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.482075 (E_RNA) where: Base-Base interactions energy: -34.187 where: short stacking energy: -30.560 Base-Backbone interact. energy: -0.123 local terms energy: -44.171507 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -12.800 flat angles C4'-P-C4' energy: -14.130 flat angles P-C4'-P energy: -5.740 tors. eta vs tors. theta energy: -2.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -153.909213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.909213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.909213 (E_RNA) where: Base-Base interactions energy: -95.737 where: short stacking energy: -61.596 Base-Backbone interact. energy: -0.273 local terms energy: -57.899423 where: bonds (distance) C4'-P energy: -12.077 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -8.950 flat angles P-C4'-P energy: -8.304 tors. eta vs tors. theta energy: -13.261 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: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -144.604133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.604133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.604133 (E_RNA) where: Base-Base interactions energy: -80.966 where: short stacking energy: -53.146 Base-Backbone interact. energy: -0.023 local terms energy: -63.615398 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -13.222 flat angles P-C4'-P energy: -12.958 tors. eta vs tors. theta energy: -11.856 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: 6 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -136.914178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.914178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.914178 (E_RNA) where: Base-Base interactions energy: -80.379 where: short stacking energy: -51.636 Base-Backbone interact. energy: -0.356 local terms energy: -56.179143 where: bonds (distance) C4'-P energy: -9.902 bonds (distance) P-C4' energy: -15.449 flat angles C4'-P-C4' energy: -11.924 flat angles P-C4'-P energy: -7.714 tors. eta vs tors. theta energy: -11.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -121.986880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.986880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.986880 (E_RNA) where: Base-Base interactions energy: -55.331 where: short stacking energy: -55.187 Base-Backbone interact. energy: -0.000 local terms energy: -66.655386 where: bonds (distance) C4'-P energy: -12.815 bonds (distance) P-C4' energy: -15.467 flat angles C4'-P-C4' energy: -14.641 flat angles P-C4'-P energy: -10.498 tors. eta vs tors. theta energy: -13.234 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: 2 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -113.828124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.828124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.828124 (E_RNA) where: Base-Base interactions energy: -51.130 where: short stacking energy: -51.130 Base-Backbone interact. energy: -0.001 local terms energy: -62.697260 where: bonds (distance) C4'-P energy: -14.405 bonds (distance) P-C4' energy: -11.956 flat angles C4'-P-C4' energy: -15.478 flat angles P-C4'-P energy: -7.265 tors. eta vs tors. theta energy: -13.593 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: 7 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -103.673906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.673906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.673906 (E_RNA) where: Base-Base interactions energy: -52.904 where: short stacking energy: -41.202 Base-Backbone interact. energy: -0.127 local terms energy: -50.642239 where: bonds (distance) C4'-P energy: -11.050 bonds (distance) P-C4' energy: -12.993 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -8.432 tors. eta vs tors. theta energy: -6.332 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: 7, replica: 4 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -86.771396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.771396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.771396 (E_RNA) where: Base-Base interactions energy: -37.388 where: short stacking energy: -37.388 Base-Backbone interact. energy: 0.260 local terms energy: -49.642854 where: bonds (distance) C4'-P energy: -9.213 bonds (distance) P-C4' energy: -12.795 flat angles C4'-P-C4' energy: -12.279 flat angles P-C4'-P energy: -7.286 tors. eta vs tors. theta energy: -8.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -89.626148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.626148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.626148 (E_RNA) where: Base-Base interactions energy: -45.534 where: short stacking energy: -44.221 Base-Backbone interact. energy: -0.073 local terms energy: -44.018665 where: bonds (distance) C4'-P energy: -7.172 bonds (distance) P-C4' energy: -9.732 flat angles C4'-P-C4' energy: -10.776 flat angles P-C4'-P energy: -8.189 tors. eta vs tors. theta energy: -8.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -77.475497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.475497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.475497 (E_RNA) where: Base-Base interactions energy: -29.356 where: short stacking energy: -29.356 Base-Backbone interact. energy: -0.257 local terms energy: -47.862441 where: bonds (distance) C4'-P energy: -10.189 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -9.373 flat angles P-C4'-P energy: -10.609 tors. eta vs tors. theta energy: -3.278 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: 10, replica: 1 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -70.415686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.415686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.415686 (E_RNA) where: Base-Base interactions energy: -23.294 where: short stacking energy: -23.294 Base-Backbone interact. energy: -0.088 local terms energy: -47.033325 where: bonds (distance) C4'-P energy: -12.952 bonds (distance) P-C4' energy: -11.278 flat angles C4'-P-C4' energy: -12.073 flat angles P-C4'-P energy: -7.510 tors. eta vs tors. theta energy: -3.221 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: 5 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -157.358223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.358223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.358223 (E_RNA) where: Base-Base interactions energy: -98.906 where: short stacking energy: -50.263 Base-Backbone interact. energy: -0.041 local terms energy: -58.410805 where: bonds (distance) C4'-P energy: -11.465 bonds (distance) P-C4' energy: -15.741 flat angles C4'-P-C4' energy: -10.538 flat angles P-C4'-P energy: -10.811 tors. eta vs tors. theta energy: -9.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -158.192721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.192721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.192721 (E_RNA) where: Base-Base interactions energy: -97.438 where: short stacking energy: -60.265 Base-Backbone interact. energy: -0.006 local terms energy: -60.748650 where: bonds (distance) C4'-P energy: -11.242 bonds (distance) P-C4' energy: -12.933 flat angles C4'-P-C4' energy: -12.779 flat angles P-C4'-P energy: -10.701 tors. eta vs tors. theta energy: -13.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -107.171774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.171774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.171774 (E_RNA) where: Base-Base interactions energy: -54.064 where: short stacking energy: -54.064 Base-Backbone interact. energy: -0.031 local terms energy: -53.076323 where: bonds (distance) C4'-P energy: -11.215 bonds (distance) P-C4' energy: -15.013 flat angles C4'-P-C4' energy: -10.324 flat angles P-C4'-P energy: -7.478 tors. eta vs tors. theta energy: -9.047 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: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -146.281805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.281805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.281805 (E_RNA) where: Base-Base interactions energy: -84.162 where: short stacking energy: -46.134 Base-Backbone interact. energy: -0.099 local terms energy: -62.021289 where: bonds (distance) C4'-P energy: -12.161 bonds (distance) P-C4' energy: -13.697 flat angles C4'-P-C4' energy: -15.607 flat angles P-C4'-P energy: -9.085 tors. eta vs tors. theta energy: -11.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -113.113699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.113699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.113699 (E_RNA) where: Base-Base interactions energy: -52.053 where: short stacking energy: -51.432 Base-Backbone interact. energy: -0.001 local terms energy: -61.060475 where: bonds (distance) C4'-P energy: -9.200 bonds (distance) P-C4' energy: -15.713 flat angles C4'-P-C4' energy: -10.520 flat angles P-C4'-P energy: -10.938 tors. eta vs tors. theta energy: -14.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -100.679199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.679199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.679199 (E_RNA) where: Base-Base interactions energy: -44.827 where: short stacking energy: -40.877 Base-Backbone interact. energy: -0.045 local terms energy: -55.807117 where: bonds (distance) C4'-P energy: -9.866 bonds (distance) P-C4' energy: -15.562 flat angles C4'-P-C4' energy: -11.800 flat angles P-C4'-P energy: -9.914 tors. eta vs tors. theta energy: -8.665 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: 148 Temperature: 1.200000 Total energy: -100.044306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.044306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.044306 (E_RNA) where: Base-Base interactions energy: -44.126 where: short stacking energy: -40.688 Base-Backbone interact. energy: -0.024 local terms energy: -55.894162 where: bonds (distance) C4'-P energy: -12.355 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -9.456 tors. eta vs tors. theta energy: -6.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -107.903704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.903704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.903704 (E_RNA) where: Base-Base interactions energy: -65.457 where: short stacking energy: -39.993 Base-Backbone interact. energy: 1.305 local terms energy: -43.751902 where: bonds (distance) C4'-P energy: -10.608 bonds (distance) P-C4' energy: -13.467 flat angles C4'-P-C4' energy: -14.084 flat angles P-C4'-P energy: -4.998 tors. eta vs tors. theta energy: -0.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -89.795117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.795117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.795117 (E_RNA) where: Base-Base interactions energy: -41.783 where: short stacking energy: -33.502 Base-Backbone interact. energy: -0.163 local terms energy: -47.848644 where: bonds (distance) C4'-P energy: -10.679 bonds (distance) P-C4' energy: -11.403 flat angles C4'-P-C4' energy: -11.972 flat angles P-C4'-P energy: -6.953 tors. eta vs tors. theta energy: -6.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -70.240614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.240614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.240614 (E_RNA) where: Base-Base interactions energy: -32.427 where: short stacking energy: -28.856 Base-Backbone interact. energy: -0.273 local terms energy: -37.540242 where: bonds (distance) C4'-P energy: -3.472 bonds (distance) P-C4' energy: -13.351 flat angles C4'-P-C4' energy: -13.778 flat angles P-C4'-P energy: -7.354 tors. eta vs tors. theta energy: 0.415 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: 5 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -155.426058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.426058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.426058 (E_RNA) where: Base-Base interactions energy: -96.576 where: short stacking energy: -63.245 Base-Backbone interact. energy: 2.137 local terms energy: -60.987016 where: bonds (distance) C4'-P energy: -12.591 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -12.185 flat angles P-C4'-P energy: -6.978 tors. eta vs tors. theta energy: -15.464 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: 3 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -150.368508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.368508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.368508 (E_RNA) where: Base-Base interactions energy: -91.413 where: short stacking energy: -55.001 Base-Backbone interact. energy: -0.032 local terms energy: -58.923004 where: bonds (distance) C4'-P energy: -9.399 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -12.154 flat angles P-C4'-P energy: -11.008 tors. eta vs tors. theta energy: -10.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -107.554996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.554996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.554996 (E_RNA) where: Base-Base interactions energy: -47.034 where: short stacking energy: -47.034 Base-Backbone interact. energy: -0.002 local terms energy: -60.518774 where: bonds (distance) C4'-P energy: -11.474 bonds (distance) P-C4' energy: -14.337 flat angles C4'-P-C4' energy: -14.697 flat angles P-C4'-P energy: -7.193 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: 4, replica: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -144.274985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.274985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.274985 (E_RNA) where: Base-Base interactions energy: -87.256 where: short stacking energy: -53.816 Base-Backbone interact. energy: -0.101 local terms energy: -56.917920 where: bonds (distance) C4'-P energy: -11.717 bonds (distance) P-C4' energy: -12.332 flat angles C4'-P-C4' energy: -11.475 flat angles P-C4'-P energy: -7.699 tors. eta vs tors. theta energy: -13.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -121.752979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.752979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.752979 (E_RNA) where: Base-Base interactions energy: -69.843 where: short stacking energy: -44.608 Base-Backbone interact. energy: 1.015 local terms energy: -52.924443 where: bonds (distance) C4'-P energy: -13.352 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -11.024 flat angles P-C4'-P energy: -8.457 tors. eta vs tors. theta energy: -6.989 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: 6, replica: 2 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -91.344942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.344942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.344942 (E_RNA) where: Base-Base interactions energy: -41.228 where: short stacking energy: -39.730 Base-Backbone interact. energy: -0.029 local terms energy: -50.087601 where: bonds (distance) C4'-P energy: -12.069 bonds (distance) P-C4' energy: -9.584 flat angles C4'-P-C4' energy: -7.153 flat angles P-C4'-P energy: -10.883 tors. eta vs tors. theta energy: -10.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -98.568695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.568695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.568695 (E_RNA) where: Base-Base interactions energy: -52.975 where: short stacking energy: -44.493 Base-Backbone interact. energy: 0.344 local terms energy: -45.937623 where: bonds (distance) C4'-P energy: -12.736 bonds (distance) P-C4' energy: -8.680 flat angles C4'-P-C4' energy: -12.129 flat angles P-C4'-P energy: -8.987 tors. eta vs tors. theta energy: -3.406 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: 8 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -103.548713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.548713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.548713 (E_RNA) where: Base-Base interactions energy: -55.720 where: short stacking energy: -29.695 Base-Backbone interact. energy: 0.059 local terms energy: -47.888047 where: bonds (distance) C4'-P energy: -13.590 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -11.611 flat angles P-C4'-P energy: -7.347 tors. eta vs tors. theta energy: -1.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -75.763875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.763875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.763875 (E_RNA) where: Base-Base interactions energy: -32.407 where: short stacking energy: -32.407 Base-Backbone interact. energy: -0.017 local terms energy: -43.339793 where: bonds (distance) C4'-P energy: -13.258 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -9.358 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -3.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -77.856504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.856504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.856504 (E_RNA) where: Base-Base interactions energy: -35.686 where: short stacking energy: -33.659 Base-Backbone interact. energy: -0.855 local terms energy: -41.316251 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -11.736 flat angles C4'-P-C4' energy: -11.053 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -147.929063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.929063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.929063 (E_RNA) where: Base-Base interactions energy: -86.923 where: short stacking energy: -51.922 Base-Backbone interact. energy: 1.414 local terms energy: -62.420517 where: bonds (distance) C4'-P energy: -14.884 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -13.361 flat angles P-C4'-P energy: -7.300 tors. eta vs tors. theta energy: -11.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -157.676364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.676364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.676364 (E_RNA) where: Base-Base interactions energy: -96.566 where: short stacking energy: -57.101 Base-Backbone interact. energy: 0.360 local terms energy: -61.469765 where: bonds (distance) C4'-P energy: -9.788 bonds (distance) P-C4' energy: -15.713 flat angles C4'-P-C4' energy: -8.598 flat angles P-C4'-P energy: -11.744 tors. eta vs tors. theta energy: -15.626 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: 6 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -138.296379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.296379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.296379 (E_RNA) where: Base-Base interactions energy: -85.058 where: short stacking energy: -55.795 Base-Backbone interact. energy: -0.062 local terms energy: -53.176315 where: bonds (distance) C4'-P energy: -12.206 bonds (distance) P-C4' energy: -13.403 flat angles C4'-P-C4' energy: -10.774 flat angles P-C4'-P energy: -4.304 tors. eta vs tors. theta energy: -12.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -106.113567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.113567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.113567 (E_RNA) where: Base-Base interactions energy: -47.386 where: short stacking energy: -45.932 Base-Backbone interact. energy: 0.145 local terms energy: -58.872649 where: bonds (distance) C4'-P energy: -13.009 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -14.464 flat angles P-C4'-P energy: -9.624 tors. eta vs tors. theta energy: -7.559 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: 2 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -100.276588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.276588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.276588 (E_RNA) where: Base-Base interactions energy: -44.562 where: short stacking energy: -44.562 Base-Backbone interact. energy: -0.000 local terms energy: -55.714308 where: bonds (distance) C4'-P energy: -10.232 bonds (distance) P-C4' energy: -15.678 flat angles C4'-P-C4' energy: -10.304 flat angles P-C4'-P energy: -8.354 tors. eta vs tors. theta energy: -11.146 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: 7 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -89.636761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.636761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.636761 (E_RNA) where: Base-Base interactions energy: -46.131 where: short stacking energy: -43.930 Base-Backbone interact. energy: -0.213 local terms energy: -43.292609 where: bonds (distance) C4'-P energy: -11.852 bonds (distance) P-C4' energy: -4.974 flat angles C4'-P-C4' energy: -11.312 flat angles P-C4'-P energy: -9.397 tors. eta vs tors. theta energy: -5.758 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: 7, replica: 8 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -88.418620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.418620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.418620 (E_RNA) where: Base-Base interactions energy: -35.741 where: short stacking energy: -38.841 Base-Backbone interact. energy: -2.365 local terms energy: -50.312377 where: bonds (distance) C4'-P energy: -12.629 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -14.163 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -6.144 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: 150 Temperature: 1.250000 Total energy: -79.914766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.914766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.914766 (E_RNA) where: Base-Base interactions energy: -35.355 where: short stacking energy: -26.184 Base-Backbone interact. energy: -0.147 local terms energy: -44.412850 where: bonds (distance) C4'-P energy: -11.557 bonds (distance) P-C4' energy: -12.934 flat angles C4'-P-C4' energy: -10.791 flat angles P-C4'-P energy: -8.843 tors. eta vs tors. theta energy: -0.289 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: 10 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -88.990299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.990299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.990299 (E_RNA) where: Base-Base interactions energy: -40.133 where: short stacking energy: -38.512 Base-Backbone interact. energy: -0.050 local terms energy: -48.807390 where: bonds (distance) C4'-P energy: -9.929 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -12.663 flat angles P-C4'-P energy: -8.509 tors. eta vs tors. theta energy: -4.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -73.158607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.158607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.158607 (E_RNA) where: Base-Base interactions energy: -32.426 where: short stacking energy: -27.915 Base-Backbone interact. energy: -0.168 local terms energy: -40.564814 where: bonds (distance) C4'-P energy: -10.807 bonds (distance) P-C4' energy: -11.614 flat angles C4'-P-C4' energy: -10.482 flat angles P-C4'-P energy: -3.236 tors. eta vs tors. theta energy: -4.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -155.694284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.694284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.694284 (E_RNA) where: Base-Base interactions energy: -95.733 where: short stacking energy: -60.988 Base-Backbone interact. energy: -0.008 local terms energy: -59.953625 where: bonds (distance) C4'-P energy: -8.757 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -12.276 flat angles P-C4'-P energy: -9.906 tors. eta vs tors. theta energy: -16.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -144.871115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.871115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.871115 (E_RNA) where: Base-Base interactions energy: -83.998 where: short stacking energy: -62.735 Base-Backbone interact. energy: -0.015 local terms energy: -60.857467 where: bonds (distance) C4'-P energy: -9.194 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -14.139 flat angles P-C4'-P energy: -8.015 tors. eta vs tors. theta energy: -13.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -154.080742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.080742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.080742 (E_RNA) where: Base-Base interactions energy: -97.599 where: short stacking energy: -61.987 Base-Backbone interact. energy: -0.003 local terms energy: -56.478141 where: bonds (distance) C4'-P energy: -9.229 bonds (distance) P-C4' energy: -8.300 flat angles C4'-P-C4' energy: -13.029 flat angles P-C4'-P energy: -9.283 tors. eta vs tors. theta energy: -16.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -112.235171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.235171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.235171 (E_RNA) where: Base-Base interactions energy: -55.383 where: short stacking energy: -50.805 Base-Backbone interact. energy: -0.004 local terms energy: -56.847882 where: bonds (distance) C4'-P energy: -11.937 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -13.251 flat angles P-C4'-P energy: -7.397 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: 5, replica: 9 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -99.972511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.972511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.972511 (E_RNA) where: Base-Base interactions energy: -47.377 where: short stacking energy: -47.377 Base-Backbone interact. energy: 0.081 local terms energy: -52.676395 where: bonds (distance) C4'-P energy: -9.097 bonds (distance) P-C4' energy: -12.569 flat angles C4'-P-C4' energy: -12.330 flat angles P-C4'-P energy: -10.041 tors. eta vs tors. theta energy: -8.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -94.941509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.941509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.941509 (E_RNA) where: Base-Base interactions energy: -47.033 where: short stacking energy: -36.891 Base-Backbone interact. energy: -0.045 local terms energy: -47.863184 where: bonds (distance) C4'-P energy: -9.126 bonds (distance) P-C4' energy: -14.007 flat angles C4'-P-C4' energy: -8.903 flat angles P-C4'-P energy: -10.529 tors. eta vs tors. theta energy: -5.298 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: 151 Temperature: 1.200000 Total energy: -88.747276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.747276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.747276 (E_RNA) where: Base-Base interactions energy: -43.677 where: short stacking energy: -37.931 Base-Backbone interact. energy: 1.747 local terms energy: -46.816682 where: bonds (distance) C4'-P energy: -9.258 bonds (distance) P-C4' energy: -13.465 flat angles C4'-P-C4' energy: -10.968 flat angles P-C4'-P energy: -6.231 tors. eta vs tors. theta energy: -6.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -87.507407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.507407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.507407 (E_RNA) where: Base-Base interactions energy: -38.253 where: short stacking energy: -36.895 Base-Backbone interact. energy: -0.086 local terms energy: -49.169246 where: bonds (distance) C4'-P energy: -10.769 bonds (distance) P-C4' energy: -12.777 flat angles C4'-P-C4' energy: -10.351 flat angles P-C4'-P energy: -9.064 tors. eta vs tors. theta energy: -6.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -76.580624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.580624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.580624 (E_RNA) where: Base-Base interactions energy: -39.354 where: short stacking energy: -26.872 Base-Backbone interact. energy: -0.016 local terms energy: -37.210701 where: bonds (distance) C4'-P energy: -10.613 bonds (distance) P-C4' energy: -9.795 flat angles C4'-P-C4' energy: -8.189 flat angles P-C4'-P energy: -6.469 tors. eta vs tors. theta energy: -2.146 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: 10, replica: 1 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -70.604314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.604314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.604314 (E_RNA) where: Base-Base interactions energy: -29.704 where: short stacking energy: -30.552 Base-Backbone interact. energy: -0.155 local terms energy: -40.744822 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -12.937 flat angles C4'-P-C4' energy: -9.141 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -1.770 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: 6 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -156.399479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.399479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.399479 (E_RNA) where: Base-Base interactions energy: -99.733 where: short stacking energy: -66.465 Base-Backbone interact. energy: -0.013 local terms energy: -56.653893 where: bonds (distance) C4'-P energy: -10.735 bonds (distance) P-C4' energy: -13.327 flat angles C4'-P-C4' energy: -13.110 flat angles P-C4'-P energy: -6.805 tors. eta vs tors. theta energy: -12.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -154.349673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.349673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.349673 (E_RNA) where: Base-Base interactions energy: -95.148 where: short stacking energy: -60.794 Base-Backbone interact. energy: -0.017 local terms energy: -59.185187 where: bonds (distance) C4'-P energy: -13.039 bonds (distance) P-C4' energy: -14.709 flat angles C4'-P-C4' energy: -8.185 flat angles P-C4'-P energy: -8.761 tors. eta vs tors. theta energy: -14.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -137.362286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.362286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.362286 (E_RNA) where: Base-Base interactions energy: -81.018 where: short stacking energy: -46.720 Base-Backbone interact. energy: -0.393 local terms energy: -55.951262 where: bonds (distance) C4'-P energy: -12.124 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -11.479 flat angles P-C4'-P energy: -10.980 tors. eta vs tors. theta energy: -6.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -106.000881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.000881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.000881 (E_RNA) where: Base-Base interactions energy: -61.076 where: short stacking energy: -35.575 Base-Backbone interact. energy: -0.186 local terms energy: -44.739427 where: bonds (distance) C4'-P energy: -10.729 bonds (distance) P-C4' energy: -11.762 flat angles C4'-P-C4' energy: -11.304 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -7.786 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: 5, replica: 7 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -85.321082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.321082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.321082 (E_RNA) where: Base-Base interactions energy: -32.763 where: short stacking energy: -32.149 Base-Backbone interact. energy: -0.117 local terms energy: -52.441916 where: bonds (distance) C4'-P energy: -12.636 bonds (distance) P-C4' energy: -13.828 flat angles C4'-P-C4' energy: -11.004 flat angles P-C4'-P energy: -9.834 tors. eta vs tors. theta energy: -5.141 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: 6, replica: 9 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -97.044764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.044764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.044764 (E_RNA) where: Base-Base interactions energy: -47.531 where: short stacking energy: -47.531 Base-Backbone interact. energy: -0.078 local terms energy: -49.435185 where: bonds (distance) C4'-P energy: -11.527 bonds (distance) P-C4' energy: -9.477 flat angles C4'-P-C4' energy: -12.517 flat angles P-C4'-P energy: -7.800 tors. eta vs tors. theta energy: -8.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -93.071196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.071196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.071196 (E_RNA) where: Base-Base interactions energy: -39.606 where: short stacking energy: -27.928 Base-Backbone interact. energy: 0.489 local terms energy: -53.953623 where: bonds (distance) C4'-P energy: -14.699 bonds (distance) P-C4' energy: -14.842 flat angles C4'-P-C4' energy: -10.047 flat angles P-C4'-P energy: -8.780 tors. eta vs tors. theta energy: -5.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -74.072998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.072998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.072998 (E_RNA) where: Base-Base interactions energy: -35.776 where: short stacking energy: -35.776 Base-Backbone interact. energy: 1.295 local terms energy: -39.592388 where: bonds (distance) C4'-P energy: -12.203 bonds (distance) P-C4' energy: -11.405 flat angles C4'-P-C4' energy: -11.389 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -80.178304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.178304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.178304 (E_RNA) where: Base-Base interactions energy: -36.307 where: short stacking energy: -22.182 Base-Backbone interact. energy: -0.868 local terms energy: -43.003390 where: bonds (distance) C4'-P energy: -14.512 bonds (distance) P-C4' energy: -10.654 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -6.751 tors. eta vs tors. theta energy: -3.665 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: 1 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -79.526858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.526858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.526858 (E_RNA) where: Base-Base interactions energy: -39.657 where: short stacking energy: -33.816 Base-Backbone interact. energy: -0.055 local terms energy: -39.815499 where: bonds (distance) C4'-P energy: -11.908 bonds (distance) P-C4' energy: -12.733 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -3.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -155.087760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.087760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.087760 (E_RNA) where: Base-Base interactions energy: -92.878 where: short stacking energy: -62.504 Base-Backbone interact. energy: -0.278 local terms energy: -61.932104 where: bonds (distance) C4'-P energy: -13.837 bonds (distance) P-C4' energy: -12.376 flat angles C4'-P-C4' energy: -12.542 flat angles P-C4'-P energy: -9.031 tors. eta vs tors. theta energy: -14.146 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: 3 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -158.887745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.887745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.887745 (E_RNA) where: Base-Base interactions energy: -99.454 where: short stacking energy: -63.559 Base-Backbone interact. energy: -0.390 local terms energy: -59.044319 where: bonds (distance) C4'-P energy: -15.109 bonds (distance) P-C4' energy: -10.747 flat angles C4'-P-C4' energy: -10.118 flat angles P-C4'-P energy: -7.772 tors. eta vs tors. theta energy: -15.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -133.362428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.362428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.362428 (E_RNA) where: Base-Base interactions energy: -76.568 where: short stacking energy: -45.304 Base-Backbone interact. energy: -0.008 local terms energy: -56.786239 where: bonds (distance) C4'-P energy: -13.125 bonds (distance) P-C4' energy: -14.065 flat angles C4'-P-C4' energy: -13.443 flat angles P-C4'-P energy: -6.411 tors. eta vs tors. theta energy: -9.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -104.465395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.465395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.465395 (E_RNA) where: Base-Base interactions energy: -50.934 where: short stacking energy: -42.947 Base-Backbone interact. energy: -0.059 local terms energy: -53.472433 where: bonds (distance) C4'-P energy: -12.666 bonds (distance) P-C4' energy: -11.368 flat angles C4'-P-C4' energy: -13.968 flat angles P-C4'-P energy: -7.893 tors. eta vs tors. theta energy: -7.578 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: 2 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -139.754118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.754118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.754118 (E_RNA) where: Base-Base interactions energy: -81.286 where: short stacking energy: -55.254 Base-Backbone interact. energy: -0.003 local terms energy: -58.465269 where: bonds (distance) C4'-P energy: -12.533 bonds (distance) P-C4' energy: -11.298 flat angles C4'-P-C4' energy: -12.837 flat angles P-C4'-P energy: -7.681 tors. eta vs tors. theta energy: -14.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -88.377076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.377076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.377076 (E_RNA) where: Base-Base interactions energy: -40.461 where: short stacking energy: -38.124 Base-Backbone interact. energy: -0.053 local terms energy: -47.862990 where: bonds (distance) C4'-P energy: -11.825 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -10.799 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -5.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -95.408039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.408039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.408039 (E_RNA) where: Base-Base interactions energy: -41.348 where: short stacking energy: -39.306 Base-Backbone interact. energy: 0.834 local terms energy: -54.893496 where: bonds (distance) C4'-P energy: -10.638 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -8.616 tors. eta vs tors. theta energy: -8.338 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: 8, replica: 4 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -78.823243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.823243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.823243 (E_RNA) where: Base-Base interactions energy: -31.023 where: short stacking energy: -31.023 Base-Backbone interact. energy: -0.001 local terms energy: -47.799255 where: bonds (distance) C4'-P energy: -13.407 bonds (distance) P-C4' energy: -8.989 flat angles C4'-P-C4' energy: -13.962 flat angles P-C4'-P energy: -6.181 tors. eta vs tors. theta energy: -5.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -79.317971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.317971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.317971 (E_RNA) where: Base-Base interactions energy: -37.929 where: short stacking energy: -26.141 Base-Backbone interact. energy: -0.668 local terms energy: -40.720970 where: bonds (distance) C4'-P energy: -7.105 bonds (distance) P-C4' energy: -9.458 flat angles C4'-P-C4' energy: -9.880 flat angles P-C4'-P energy: -8.067 tors. eta vs tors. theta energy: -6.210 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: 1 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -74.207829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.207829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.207829 (E_RNA) where: Base-Base interactions energy: -31.686 where: short stacking energy: -31.686 Base-Backbone interact. energy: 0.566 local terms energy: -43.087823 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -8.560 flat angles C4'-P-C4' energy: -9.518 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: -7.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -168.097760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.097760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.097760 (E_RNA) where: Base-Base interactions energy: -100.473 where: short stacking energy: -64.893 Base-Backbone interact. energy: -0.009 local terms energy: -67.615703 where: bonds (distance) C4'-P energy: -13.320 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -13.144 flat angles P-C4'-P energy: -9.810 tors. eta vs tors. theta energy: -17.384 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: 154 Temperature: 0.950000 Total energy: -149.406432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.406432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.406432 (E_RNA) where: Base-Base interactions energy: -87.587 where: short stacking energy: -58.554 Base-Backbone interact. energy: -0.003 local terms energy: -61.816992 where: bonds (distance) C4'-P energy: -14.376 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -13.743 flat angles P-C4'-P energy: -7.399 tors. eta vs tors. theta energy: -11.319 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: 5 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -136.788550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.788550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.788550 (E_RNA) where: Base-Base interactions energy: -82.545 where: short stacking energy: -50.929 Base-Backbone interact. energy: 1.083 local terms energy: -55.326587 where: bonds (distance) C4'-P energy: -10.120 bonds (distance) P-C4' energy: -13.491 flat angles C4'-P-C4' energy: -11.542 flat angles P-C4'-P energy: -9.647 tors. eta vs tors. theta energy: -10.528 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: 4, replica: 7 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -111.550993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.550993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.550993 (E_RNA) where: Base-Base interactions energy: -53.493 where: short stacking energy: -53.493 Base-Backbone interact. energy: -0.029 local terms energy: -58.029477 where: bonds (distance) C4'-P energy: -9.739 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -12.981 flat angles P-C4'-P energy: -10.535 tors. eta vs tors. theta energy: -9.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -143.462713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.462713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.462713 (E_RNA) where: Base-Base interactions energy: -82.533 where: short stacking energy: -53.165 Base-Backbone interact. energy: -0.101 local terms energy: -60.829167 where: bonds (distance) C4'-P energy: -11.441 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -12.289 flat angles P-C4'-P energy: -10.757 tors. eta vs tors. theta energy: -11.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -96.687809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.687809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.687809 (E_RNA) where: Base-Base interactions energy: -46.350 where: short stacking energy: -42.636 Base-Backbone interact. energy: -0.006 local terms energy: -50.330863 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -13.422 flat angles C4'-P-C4' energy: -15.530 flat angles P-C4'-P energy: -6.521 tors. eta vs tors. theta energy: -8.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -93.944032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.944032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.944032 (E_RNA) where: Base-Base interactions energy: -48.862 where: short stacking energy: -48.862 Base-Backbone interact. energy: -0.018 local terms energy: -45.063251 where: bonds (distance) C4'-P energy: -11.473 bonds (distance) P-C4' energy: -9.006 flat angles C4'-P-C4' energy: -7.868 flat angles P-C4'-P energy: -7.692 tors. eta vs tors. theta energy: -9.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -82.756438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.756438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.756438 (E_RNA) where: Base-Base interactions energy: -38.225 where: short stacking energy: -32.194 Base-Backbone interact. energy: 0.656 local terms energy: -45.186589 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -12.454 flat angles P-C4'-P energy: -7.611 tors. eta vs tors. theta energy: -5.632 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: 1 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -80.083246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.083246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.083246 (E_RNA) where: Base-Base interactions energy: -39.370 where: short stacking energy: -26.738 Base-Backbone interact. energy: -0.018 local terms energy: -40.695219 where: bonds (distance) C4'-P energy: -12.078 bonds (distance) P-C4' energy: -7.919 flat angles C4'-P-C4' energy: -9.447 flat angles P-C4'-P energy: -9.411 tors. eta vs tors. theta energy: -1.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -90.584081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.584081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.584081 (E_RNA) where: Base-Base interactions energy: -38.204 where: short stacking energy: -38.204 Base-Backbone interact. energy: -0.004 local terms energy: -52.375898 where: bonds (distance) C4'-P energy: -9.222 bonds (distance) P-C4' energy: -12.149 flat angles C4'-P-C4' energy: -13.837 flat angles P-C4'-P energy: -9.436 tors. eta vs tors. theta energy: -7.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -160.314725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.314725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.314725 (E_RNA) where: Base-Base interactions energy: -97.675 where: short stacking energy: -63.295 Base-Backbone interact. energy: -0.003 local terms energy: -62.636865 where: bonds (distance) C4'-P energy: -12.202 bonds (distance) P-C4' energy: -14.421 flat angles C4'-P-C4' energy: -14.619 flat angles P-C4'-P energy: -8.640 tors. eta vs tors. theta energy: -12.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -155.013457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.013457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.013457 (E_RNA) where: Base-Base interactions energy: -96.025 where: short stacking energy: -57.923 Base-Backbone interact. energy: 0.097 local terms energy: -59.086051 where: bonds (distance) C4'-P energy: -10.658 bonds (distance) P-C4' energy: -12.177 flat angles C4'-P-C4' energy: -9.389 flat angles P-C4'-P energy: -10.288 tors. eta vs tors. theta energy: -16.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -140.949054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.949054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.949054 (E_RNA) where: Base-Base interactions energy: -87.431 where: short stacking energy: -47.111 Base-Backbone interact. energy: -0.378 local terms energy: -53.139290 where: bonds (distance) C4'-P energy: -12.074 bonds (distance) P-C4' energy: -12.085 flat angles C4'-P-C4' energy: -12.793 flat angles P-C4'-P energy: -8.813 tors. eta vs tors. theta energy: -7.375 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: 2 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -133.424532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.424532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.424532 (E_RNA) where: Base-Base interactions energy: -75.604 where: short stacking energy: -43.900 Base-Backbone interact. energy: -0.087 local terms energy: -57.733047 where: bonds (distance) C4'-P energy: -14.122 bonds (distance) P-C4' energy: -12.863 flat angles C4'-P-C4' energy: -12.766 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -8.287 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: 7 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -93.642711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.642711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.642711 (E_RNA) where: Base-Base interactions energy: -45.122 where: short stacking energy: -45.122 Base-Backbone interact. energy: -0.007 local terms energy: -48.513693 where: bonds (distance) C4'-P energy: -12.782 bonds (distance) P-C4' energy: -12.362 flat angles C4'-P-C4' energy: -6.898 flat angles P-C4'-P energy: -6.525 tors. eta vs tors. theta energy: -9.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -100.445791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.445791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.445791 (E_RNA) where: Base-Base interactions energy: -47.735 where: short stacking energy: -47.152 Base-Backbone interact. energy: -1.009 local terms energy: -51.701474 where: bonds (distance) C4'-P energy: -12.960 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -10.988 flat angles P-C4'-P energy: -7.043 tors. eta vs tors. theta energy: -12.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -90.198884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.198884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.198884 (E_RNA) where: Base-Base interactions energy: -42.145 where: short stacking energy: -42.145 Base-Backbone interact. energy: -0.045 local terms energy: -48.008954 where: bonds (distance) C4'-P energy: -11.689 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -11.875 flat angles P-C4'-P energy: -2.399 tors. eta vs tors. theta energy: -8.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -88.279027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.279027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.279027 (E_RNA) where: Base-Base interactions energy: -41.676 where: short stacking energy: -29.174 Base-Backbone interact. energy: -0.075 local terms energy: -46.528312 where: bonds (distance) C4'-P energy: -10.807 bonds (distance) P-C4' energy: -12.075 flat angles C4'-P-C4' energy: -12.384 flat angles P-C4'-P energy: -5.101 tors. eta vs tors. theta energy: -6.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -73.664039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.664039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.664039 (E_RNA) where: Base-Base interactions energy: -26.023 where: short stacking energy: -25.094 Base-Backbone interact. energy: -0.159 local terms energy: -47.481349 where: bonds (distance) C4'-P energy: -13.944 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -13.264 flat angles P-C4'-P energy: -9.359 tors. eta vs tors. theta energy: -0.495 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: 8 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -75.633699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.633699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.633699 (E_RNA) where: Base-Base interactions energy: -29.163 where: short stacking energy: -25.317 Base-Backbone interact. energy: -0.123 local terms energy: -46.348004 where: bonds (distance) C4'-P energy: -11.889 bonds (distance) P-C4' energy: -11.778 flat angles C4'-P-C4' energy: -12.130 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -3.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -159.809109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.809109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.809109 (E_RNA) where: Base-Base interactions energy: -96.127 where: short stacking energy: -53.688 Base-Backbone interact. energy: 1.334 local terms energy: -65.016253 where: bonds (distance) C4'-P energy: -13.224 bonds (distance) P-C4' energy: -12.179 flat angles C4'-P-C4' energy: -14.970 flat angles P-C4'-P energy: -11.009 tors. eta vs tors. theta energy: -13.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -156.013347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.013347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.013347 (E_RNA) where: Base-Base interactions energy: -94.124 where: short stacking energy: -54.439 Base-Backbone interact. energy: -0.001 local terms energy: -61.888205 where: bonds (distance) C4'-P energy: -10.508 bonds (distance) P-C4' energy: -14.752 flat angles C4'-P-C4' energy: -12.310 flat angles P-C4'-P energy: -8.198 tors. eta vs tors. theta energy: -16.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -157.700534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.700534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.700534 (E_RNA) where: Base-Base interactions energy: -96.177 where: short stacking energy: -62.819 Base-Backbone interact. energy: -0.070 local terms energy: -61.454054 where: bonds (distance) C4'-P energy: -13.225 bonds (distance) P-C4' energy: -10.922 flat angles C4'-P-C4' energy: -14.152 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: -17.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -149.112585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.112585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.112585 (E_RNA) where: Base-Base interactions energy: -97.756 where: short stacking energy: -63.290 Base-Backbone interact. energy: -0.002 local terms energy: -51.354774 where: bonds (distance) C4'-P energy: -2.747 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -14.372 flat angles P-C4'-P energy: -3.414 tors. eta vs tors. theta energy: -15.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -108.161331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.161331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.161331 (E_RNA) where: Base-Base interactions energy: -59.382 where: short stacking energy: -51.095 Base-Backbone interact. energy: -0.220 local terms energy: -48.559488 where: bonds (distance) C4'-P energy: -10.658 bonds (distance) P-C4' energy: -12.990 flat angles C4'-P-C4' energy: -12.505 flat angles P-C4'-P energy: -3.637 tors. eta vs tors. theta energy: -8.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -95.701340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.701340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.701340 (E_RNA) where: Base-Base interactions energy: -47.177 where: short stacking energy: -41.788 Base-Backbone interact. energy: 0.086 local terms energy: -48.610873 where: bonds (distance) C4'-P energy: -12.745 bonds (distance) P-C4' energy: -12.175 flat angles C4'-P-C4' energy: -10.057 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: -6.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -98.275070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.275070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.275070 (E_RNA) where: Base-Base interactions energy: -52.358 where: short stacking energy: -39.164 Base-Backbone interact. energy: -0.161 local terms energy: -45.755475 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -12.255 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -7.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -94.788209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.788209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.788209 (E_RNA) where: Base-Base interactions energy: -42.659 where: short stacking energy: -35.847 Base-Backbone interact. energy: -0.010 local terms energy: -52.119136 where: bonds (distance) C4'-P energy: -10.599 bonds (distance) P-C4' energy: -13.184 flat angles C4'-P-C4' energy: -14.192 flat angles P-C4'-P energy: -9.249 tors. eta vs tors. theta energy: -4.894 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: 8 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -87.051770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.051770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.051770 (E_RNA) where: Base-Base interactions energy: -33.875 where: short stacking energy: -28.119 Base-Backbone interact. energy: -1.282 local terms energy: -51.895084 where: bonds (distance) C4'-P energy: -10.434 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -11.059 flat angles P-C4'-P energy: -11.963 tors. eta vs tors. theta energy: -3.818 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: 156 Temperature: 1.350000 Total energy: -80.869103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.869103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.869103 (E_RNA) where: Base-Base interactions energy: -32.365 where: short stacking energy: -30.038 Base-Backbone interact. energy: -0.058 local terms energy: -48.445943 where: bonds (distance) C4'-P energy: -12.079 bonds (distance) P-C4' energy: -13.023 flat angles C4'-P-C4' energy: -11.338 flat angles P-C4'-P energy: -7.913 tors. eta vs tors. theta energy: -4.093 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: 3 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -146.862353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.862353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.862353 (E_RNA) where: Base-Base interactions energy: -93.088 where: short stacking energy: -53.071 Base-Backbone interact. energy: -0.182 local terms energy: -53.592516 where: bonds (distance) C4'-P energy: -11.362 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -12.892 flat angles P-C4'-P energy: -7.329 tors. eta vs tors. theta energy: -6.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -160.286511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.286511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.286511 (E_RNA) where: Base-Base interactions energy: -99.569 where: short stacking energy: -66.813 Base-Backbone interact. energy: 0.541 local terms energy: -61.258906 where: bonds (distance) C4'-P energy: -13.084 bonds (distance) P-C4' energy: -9.331 flat angles C4'-P-C4' energy: -13.813 flat angles P-C4'-P energy: -8.893 tors. eta vs tors. theta energy: -16.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -150.519751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.519751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.519751 (E_RNA) where: Base-Base interactions energy: -88.084 where: short stacking energy: -56.782 Base-Backbone interact. energy: -0.552 local terms energy: -61.883790 where: bonds (distance) C4'-P energy: -13.399 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -12.172 flat angles P-C4'-P energy: -9.251 tors. eta vs tors. theta energy: -13.539 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: 6 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -162.831318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.831318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.831318 (E_RNA) where: Base-Base interactions energy: -105.582 where: short stacking energy: -63.373 Base-Backbone interact. energy: -0.001 local terms energy: -57.248583 where: bonds (distance) C4'-P energy: -10.952 bonds (distance) P-C4' energy: -11.308 flat angles C4'-P-C4' energy: -9.902 flat angles P-C4'-P energy: -7.589 tors. eta vs tors. theta energy: -17.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -102.899166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.899166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.899166 (E_RNA) where: Base-Base interactions energy: -48.651 where: short stacking energy: -39.110 Base-Backbone interact. energy: -0.614 local terms energy: -53.634546 where: bonds (distance) C4'-P energy: -11.892 bonds (distance) P-C4' energy: -14.249 flat angles C4'-P-C4' energy: -11.529 flat angles P-C4'-P energy: -7.638 tors. eta vs tors. theta energy: -8.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -104.788078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.788078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.788078 (E_RNA) where: Base-Base interactions energy: -47.513 where: short stacking energy: -46.955 Base-Backbone interact. energy: -0.008 local terms energy: -57.267048 where: bonds (distance) C4'-P energy: -12.264 bonds (distance) P-C4' energy: -14.072 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -9.362 tors. eta vs tors. theta energy: -14.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -81.410148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.410148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.410148 (E_RNA) where: Base-Base interactions energy: -30.959 where: short stacking energy: -30.959 Base-Backbone interact. energy: -0.110 local terms energy: -50.340519 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -10.451 flat angles P-C4'-P energy: -9.527 tors. eta vs tors. theta energy: -3.302 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: 1 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -88.593411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.593411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.593411 (E_RNA) where: Base-Base interactions energy: -36.828 where: short stacking energy: -36.828 Base-Backbone interact. energy: -0.123 local terms energy: -51.642963 where: bonds (distance) C4'-P energy: -12.409 bonds (distance) P-C4' energy: -16.020 flat angles C4'-P-C4' energy: -10.585 flat angles P-C4'-P energy: -1.883 tors. eta vs tors. theta energy: -10.747 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: 157 Temperature: 1.300000 Total energy: -70.740261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.740261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.740261 (E_RNA) where: Base-Base interactions energy: -34.144 where: short stacking energy: -27.972 Base-Backbone interact. energy: -0.419 local terms energy: -36.178006 where: bonds (distance) C4'-P energy: -14.628 bonds (distance) P-C4' energy: -11.691 flat angles C4'-P-C4' energy: -8.720 flat angles P-C4'-P energy: -0.559 tors. eta vs tors. theta energy: -0.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -69.343059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.343059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.343059 (E_RNA) where: Base-Base interactions energy: -30.873 where: short stacking energy: -30.873 Base-Backbone interact. energy: -0.227 local terms energy: -38.243553 where: bonds (distance) C4'-P energy: -11.083 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -8.515 flat angles P-C4'-P energy: -5.828 tors. eta vs tors. theta energy: -0.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -170.815669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.815669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.815669 (E_RNA) where: Base-Base interactions energy: -101.979 where: short stacking energy: -67.685 Base-Backbone interact. energy: -0.069 local terms energy: -68.768121 where: bonds (distance) C4'-P energy: -13.843 bonds (distance) P-C4' energy: -14.472 flat angles C4'-P-C4' energy: -14.138 flat angles P-C4'-P energy: -11.093 tors. eta vs tors. theta energy: -15.223 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: 3 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -141.323486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.323486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.323486 (E_RNA) where: Base-Base interactions energy: -87.215 where: short stacking energy: -56.801 Base-Backbone interact. energy: -0.294 local terms energy: -53.814372 where: bonds (distance) C4'-P energy: -8.422 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -11.104 flat angles P-C4'-P energy: -8.015 tors. eta vs tors. theta energy: -12.300 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: 6 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -149.979444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.979444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.979444 (E_RNA) where: Base-Base interactions energy: -99.473 where: short stacking energy: -54.150 Base-Backbone interact. energy: 0.475 local terms energy: -50.981297 where: bonds (distance) C4'-P energy: -13.365 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -11.120 flat angles P-C4'-P energy: -7.811 tors. eta vs tors. theta energy: -12.658 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: 5 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -143.995014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.995014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.995014 (E_RNA) where: Base-Base interactions energy: -86.865 where: short stacking energy: -52.496 Base-Backbone interact. energy: -0.417 local terms energy: -56.712728 where: bonds (distance) C4'-P energy: -14.699 bonds (distance) P-C4' energy: -11.864 flat angles C4'-P-C4' energy: -14.420 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -10.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -102.464620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.464620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.464620 (E_RNA) where: Base-Base interactions energy: -48.791 where: short stacking energy: -45.066 Base-Backbone interact. energy: -0.004 local terms energy: -53.669466 where: bonds (distance) C4'-P energy: -8.927 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -15.763 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -10.223 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: 7 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -115.958123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.958123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.958123 (E_RNA) where: Base-Base interactions energy: -63.740 where: short stacking energy: -45.246 Base-Backbone interact. energy: -0.748 local terms energy: -51.470070 where: bonds (distance) C4'-P energy: -14.057 bonds (distance) P-C4' energy: -11.545 flat angles C4'-P-C4' energy: -11.015 flat angles P-C4'-P energy: -3.371 tors. eta vs tors. theta energy: -11.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -96.101018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.101018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.101018 (E_RNA) where: Base-Base interactions energy: -44.970 where: short stacking energy: -44.515 Base-Backbone interact. energy: -0.069 local terms energy: -51.061425 where: bonds (distance) C4'-P energy: -8.833 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -10.634 flat angles P-C4'-P energy: -9.407 tors. eta vs tors. theta energy: -8.849 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: 4 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -85.319241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.319241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.319241 (E_RNA) where: Base-Base interactions energy: -38.955 where: short stacking energy: -33.914 Base-Backbone interact. energy: -0.169 local terms energy: -46.195342 where: bonds (distance) C4'-P energy: -13.879 bonds (distance) P-C4' energy: -9.771 flat angles C4'-P-C4' energy: -10.225 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -6.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -80.966765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.966765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.966765 (E_RNA) where: Base-Base interactions energy: -32.132 where: short stacking energy: -32.132 Base-Backbone interact. energy: -0.101 local terms energy: -48.733688 where: bonds (distance) C4'-P energy: -10.721 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -10.422 flat angles P-C4'-P energy: -7.332 tors. eta vs tors. theta energy: -6.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -73.806160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.806160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.806160 (E_RNA) where: Base-Base interactions energy: -31.800 where: short stacking energy: -22.479 Base-Backbone interact. energy: -0.430 local terms energy: -41.576383 where: bonds (distance) C4'-P energy: -11.100 bonds (distance) P-C4' energy: -11.909 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -9.204 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: 1, replica: 2 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -163.099161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.099161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.099161 (E_RNA) where: Base-Base interactions energy: -102.107 where: short stacking energy: -58.934 Base-Backbone interact. energy: -0.001 local terms energy: -60.990702 where: bonds (distance) C4'-P energy: -12.289 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -10.270 flat angles P-C4'-P energy: -8.731 tors. eta vs tors. theta energy: -15.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -151.004622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.004622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.004622 (E_RNA) where: Base-Base interactions energy: -96.772 where: short stacking energy: -59.434 Base-Backbone interact. energy: -0.024 local terms energy: -54.209048 where: bonds (distance) C4'-P energy: -9.458 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -12.474 flat angles P-C4'-P energy: -8.623 tors. eta vs tors. theta energy: -10.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -141.380852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.380852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.380852 (E_RNA) where: Base-Base interactions energy: -84.367 where: short stacking energy: -59.338 Base-Backbone interact. energy: 0.321 local terms energy: -57.334373 where: bonds (distance) C4'-P energy: -14.168 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -14.091 flat angles P-C4'-P energy: -6.584 tors. eta vs tors. theta energy: -9.635 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: 159 Temperature: 1.050000 Total energy: -136.983477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.983477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.983477 (E_RNA) where: Base-Base interactions energy: -80.607 where: short stacking energy: -50.731 Base-Backbone interact. energy: -0.006 local terms energy: -56.370388 where: bonds (distance) C4'-P energy: -9.664 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -13.639 flat angles P-C4'-P energy: -8.021 tors. eta vs tors. theta energy: -12.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -108.416405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.416405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.416405 (E_RNA) where: Base-Base interactions energy: -50.793 where: short stacking energy: -48.985 Base-Backbone interact. energy: -0.010 local terms energy: -57.613990 where: bonds (distance) C4'-P energy: -10.377 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -11.945 flat angles P-C4'-P energy: -10.412 tors. eta vs tors. theta energy: -10.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -124.274076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.274076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.274076 (E_RNA) where: Base-Base interactions energy: -75.766 where: short stacking energy: -40.734 Base-Backbone interact. energy: -0.551 local terms energy: -47.956592 where: bonds (distance) C4'-P energy: -12.019 bonds (distance) P-C4' energy: -8.918 flat angles C4'-P-C4' energy: -12.117 flat angles P-C4'-P energy: -6.652 tors. eta vs tors. theta energy: -8.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -78.329251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.329251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.329251 (E_RNA) where: Base-Base interactions energy: -33.862 where: short stacking energy: -31.328 Base-Backbone interact. energy: 0.006 local terms energy: -44.472827 where: bonds (distance) C4'-P energy: -9.638 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -1.169 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: 8 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -82.941475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.941475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.941475 (E_RNA) where: Base-Base interactions energy: -45.622 where: short stacking energy: -30.224 Base-Backbone interact. energy: -0.161 local terms energy: -37.158514 where: bonds (distance) C4'-P energy: -3.685 bonds (distance) P-C4' energy: -12.444 flat angles C4'-P-C4' energy: -12.304 flat angles P-C4'-P energy: -5.681 tors. eta vs tors. theta energy: -3.044 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: 4 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -74.412311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.412311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.412311 (E_RNA) where: Base-Base interactions energy: -25.814 where: short stacking energy: -21.894 Base-Backbone interact. energy: 0.204 local terms energy: -48.802281 where: bonds (distance) C4'-P energy: -12.947 bonds (distance) P-C4' energy: -12.032 flat angles C4'-P-C4' energy: -10.184 flat angles P-C4'-P energy: -8.201 tors. eta vs tors. theta energy: -5.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -68.763443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.763443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.763443 (E_RNA) where: Base-Base interactions energy: -22.662 where: short stacking energy: -22.662 Base-Backbone interact. energy: 0.541 local terms energy: -46.642324 where: bonds (distance) C4'-P energy: -14.218 bonds (distance) P-C4' energy: -12.219 flat angles C4'-P-C4' energy: -13.097 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: -3.530 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: 2 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -169.593545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.593545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.593545 (E_RNA) where: Base-Base interactions energy: -102.215 where: short stacking energy: -59.041 Base-Backbone interact. energy: 0.270 local terms energy: -67.647942 where: bonds (distance) C4'-P energy: -12.997 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -13.262 flat angles P-C4'-P energy: -9.200 tors. eta vs tors. theta energy: -15.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -159.806112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.806112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.806112 (E_RNA) where: Base-Base interactions energy: -99.141 where: short stacking energy: -51.476 Base-Backbone interact. energy: -0.410 local terms energy: -60.255110 where: bonds (distance) C4'-P energy: -11.954 bonds (distance) P-C4' energy: -13.369 flat angles C4'-P-C4' energy: -14.160 flat angles P-C4'-P energy: -9.768 tors. eta vs tors. theta energy: -11.003 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: 5 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -133.885261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.885261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.885261 (E_RNA) where: Base-Base interactions energy: -82.128 where: short stacking energy: -47.412 Base-Backbone interact. energy: -0.263 local terms energy: -51.494677 where: bonds (distance) C4'-P energy: -12.728 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -11.689 flat angles P-C4'-P energy: -7.049 tors. eta vs tors. theta energy: -7.599 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: 3 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -131.640618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.640618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.640618 (E_RNA) where: Base-Base interactions energy: -75.234 where: short stacking energy: -49.534 Base-Backbone interact. energy: -0.148 local terms energy: -56.258161 where: bonds (distance) C4'-P energy: -11.486 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -12.206 flat angles P-C4'-P energy: -8.153 tors. eta vs tors. theta energy: -10.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -137.769162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.769162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.769162 (E_RNA) where: Base-Base interactions energy: -85.548 where: short stacking energy: -50.372 Base-Backbone interact. energy: -0.400 local terms energy: -51.821900 where: bonds (distance) C4'-P energy: -11.038 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -14.738 flat angles P-C4'-P energy: -8.839 tors. eta vs tors. theta energy: -7.629 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: 10 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -88.867084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.867084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.867084 (E_RNA) where: Base-Base interactions energy: -40.644 where: short stacking energy: -40.644 Base-Backbone interact. energy: -0.015 local terms energy: -48.207879 where: bonds (distance) C4'-P energy: -8.917 bonds (distance) P-C4' energy: -11.894 flat angles C4'-P-C4' energy: -11.373 flat angles P-C4'-P energy: -7.796 tors. eta vs tors. theta energy: -8.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -90.789161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.789161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.789161 (E_RNA) where: Base-Base interactions energy: -40.736 where: short stacking energy: -40.405 Base-Backbone interact. energy: -0.000 local terms energy: -50.052390 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -13.171 flat angles C4'-P-C4' energy: -11.285 flat angles P-C4'-P energy: -6.768 tors. eta vs tors. theta energy: -9.093 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: 160 Temperature: 1.250000 Total energy: -73.629076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.629076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.629076 (E_RNA) where: Base-Base interactions energy: -28.142 where: short stacking energy: -26.489 Base-Backbone interact. energy: -0.021 local terms energy: -45.466781 where: bonds (distance) C4'-P energy: -13.862 bonds (distance) P-C4' energy: -13.407 flat angles C4'-P-C4' energy: -6.206 flat angles P-C4'-P energy: -9.368 tors. eta vs tors. theta energy: -2.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -82.356423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.356423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.356423 (E_RNA) where: Base-Base interactions energy: -38.466 where: short stacking energy: -30.623 Base-Backbone interact. energy: 0.776 local terms energy: -44.666614 where: bonds (distance) C4'-P energy: -11.719 bonds (distance) P-C4' energy: -10.542 flat angles C4'-P-C4' energy: -9.727 flat angles P-C4'-P energy: -8.238 tors. eta vs tors. theta energy: -4.441 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: 4 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -79.460067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.460067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.460067 (E_RNA) where: Base-Base interactions energy: -28.380 where: short stacking energy: -26.346 Base-Backbone interact. energy: -0.139 local terms energy: -50.940396 where: bonds (distance) C4'-P energy: -12.868 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -9.836 flat angles P-C4'-P energy: -8.927 tors. eta vs tors. theta energy: -4.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -158.226892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.226892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.226892 (E_RNA) where: Base-Base interactions energy: -92.887 where: short stacking energy: -63.162 Base-Backbone interact. energy: -0.004 local terms energy: -65.336214 where: bonds (distance) C4'-P energy: -12.806 bonds (distance) P-C4' energy: -12.228 flat angles C4'-P-C4' energy: -12.609 flat angles P-C4'-P energy: -12.122 tors. eta vs tors. theta energy: -15.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -147.848839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.848839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.848839 (E_RNA) where: Base-Base interactions energy: -92.509 where: short stacking energy: -58.664 Base-Backbone interact. energy: -0.001 local terms energy: -55.338931 where: bonds (distance) C4'-P energy: -9.987 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -9.042 flat angles P-C4'-P energy: -9.864 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: 3, replica: 6 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -152.155410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.155410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.155410 (E_RNA) where: Base-Base interactions energy: -93.381 where: short stacking energy: -60.863 Base-Backbone interact. energy: -0.003 local terms energy: -58.770913 where: bonds (distance) C4'-P energy: -14.164 bonds (distance) P-C4' energy: -7.443 flat angles C4'-P-C4' energy: -10.500 flat angles P-C4'-P energy: -11.634 tors. eta vs tors. theta energy: -15.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -144.418699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.418699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.418699 (E_RNA) where: Base-Base interactions energy: -82.235 where: short stacking energy: -51.264 Base-Backbone interact. energy: -0.093 local terms energy: -62.090457 where: bonds (distance) C4'-P energy: -12.198 bonds (distance) P-C4' energy: -13.092 flat angles C4'-P-C4' energy: -14.089 flat angles P-C4'-P energy: -10.688 tors. eta vs tors. theta energy: -12.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -117.421343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.421343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.421343 (E_RNA) where: Base-Base interactions energy: -70.188 where: short stacking energy: -37.380 Base-Backbone interact. energy: -0.484 local terms energy: -46.749339 where: bonds (distance) C4'-P energy: -11.962 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -5.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -99.085453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.085453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.085453 (E_RNA) where: Base-Base interactions energy: -40.757 where: short stacking energy: -40.757 Base-Backbone interact. energy: -0.000 local terms energy: -58.327704 where: bonds (distance) C4'-P energy: -13.312 bonds (distance) P-C4' energy: -16.482 flat angles C4'-P-C4' energy: -9.912 flat angles P-C4'-P energy: -6.263 tors. eta vs tors. theta energy: -12.358 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: 10 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -86.176923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.176923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.176923 (E_RNA) where: Base-Base interactions energy: -36.538 where: short stacking energy: -33.479 Base-Backbone interact. energy: -0.158 local terms energy: -49.480494 where: bonds (distance) C4'-P energy: -14.040 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -8.745 flat angles P-C4'-P energy: -8.284 tors. eta vs tors. theta energy: -3.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -77.225522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.225522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.225522 (E_RNA) where: Base-Base interactions energy: -35.493 where: short stacking energy: -35.493 Base-Backbone interact. energy: 2.053 local terms energy: -43.785205 where: bonds (distance) C4'-P energy: -10.224 bonds (distance) P-C4' energy: -11.878 flat angles C4'-P-C4' energy: -12.384 flat angles P-C4'-P energy: -5.218 tors. eta vs tors. theta energy: -4.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -77.838615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.838615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.838615 (E_RNA) where: Base-Base interactions energy: -33.694 where: short stacking energy: -33.694 Base-Backbone interact. energy: -0.108 local terms energy: -44.036600 where: bonds (distance) C4'-P energy: -8.964 bonds (distance) P-C4' energy: -10.175 flat angles C4'-P-C4' energy: -10.788 flat angles P-C4'-P energy: -7.176 tors. eta vs tors. theta energy: -6.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -73.464208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.464208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.464208 (E_RNA) where: Base-Base interactions energy: -35.308 where: short stacking energy: -31.357 Base-Backbone interact. energy: -0.067 local terms energy: -38.089016 where: bonds (distance) C4'-P energy: -11.621 bonds (distance) P-C4' energy: -6.024 flat angles C4'-P-C4' energy: -12.551 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: -2.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -158.052796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.052796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.052796 (E_RNA) where: Base-Base interactions energy: -96.855 where: short stacking energy: -62.925 Base-Backbone interact. energy: -0.002 local terms energy: -61.195886 where: bonds (distance) C4'-P energy: -12.227 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -14.502 flat angles P-C4'-P energy: -10.031 tors. eta vs tors. theta energy: -14.879 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: 5 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -150.470031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.470031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.470031 (E_RNA) where: Base-Base interactions energy: -91.573 where: short stacking energy: -56.699 Base-Backbone interact. energy: -0.215 local terms energy: -58.681828 where: bonds (distance) C4'-P energy: -13.536 bonds (distance) P-C4' energy: -15.206 flat angles C4'-P-C4' energy: -10.227 flat angles P-C4'-P energy: -9.052 tors. eta vs tors. theta energy: -10.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -164.761221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.761221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.761221 (E_RNA) where: Base-Base interactions energy: -100.582 where: short stacking energy: -59.882 Base-Backbone interact. energy: -0.019 local terms energy: -64.159599 where: bonds (distance) C4'-P energy: -12.682 bonds (distance) P-C4' energy: -16.489 flat angles C4'-P-C4' energy: -12.456 flat angles P-C4'-P energy: -9.538 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: 4, replica: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -130.990390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.990390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.990390 (E_RNA) where: Base-Base interactions energy: -71.595 where: short stacking energy: -44.738 Base-Backbone interact. energy: -0.311 local terms energy: -59.084052 where: bonds (distance) C4'-P energy: -13.303 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -14.906 flat angles P-C4'-P energy: -8.502 tors. eta vs tors. theta energy: -8.224 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: 5, replica: 7 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -113.874069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.874069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.874069 (E_RNA) where: Base-Base interactions energy: -52.508 where: short stacking energy: -52.508 Base-Backbone interact. energy: -0.000 local terms energy: -61.365673 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -13.854 flat angles C4'-P-C4' energy: -14.622 flat angles P-C4'-P energy: -7.305 tors. eta vs tors. theta energy: -13.782 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: 6, replica: 3 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -106.622590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.622590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.622590 (E_RNA) where: Base-Base interactions energy: -59.234 where: short stacking energy: -40.344 Base-Backbone interact. energy: -0.529 local terms energy: -46.860262 where: bonds (distance) C4'-P energy: -8.493 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -12.317 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -6.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -99.111992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.111992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.111992 (E_RNA) where: Base-Base interactions energy: -40.633 where: short stacking energy: -40.516 Base-Backbone interact. energy: -0.003 local terms energy: -58.475576 where: bonds (distance) C4'-P energy: -14.993 bonds (distance) P-C4' energy: -14.890 flat angles C4'-P-C4' energy: -10.464 flat angles P-C4'-P energy: -8.436 tors. eta vs tors. theta energy: -9.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -81.882406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.882406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.882406 (E_RNA) where: Base-Base interactions energy: -35.211 where: short stacking energy: -31.111 Base-Backbone interact. energy: -0.150 local terms energy: -46.521828 where: bonds (distance) C4'-P energy: -11.999 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -10.349 flat angles P-C4'-P energy: -6.472 tors. eta vs tors. theta energy: -3.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -75.975056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.975056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.975056 (E_RNA) where: Base-Base interactions energy: -35.291 where: short stacking energy: -34.689 Base-Backbone interact. energy: 0.683 local terms energy: -41.366711 where: bonds (distance) C4'-P energy: -9.751 bonds (distance) P-C4' energy: -11.066 flat angles C4'-P-C4' energy: -7.868 flat angles P-C4'-P energy: -9.175 tors. eta vs tors. theta energy: -3.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -86.438033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.438033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.438033 (E_RNA) where: Base-Base interactions energy: -36.921 where: short stacking energy: -36.921 Base-Backbone interact. energy: 0.799 local terms energy: -50.315812 where: bonds (distance) C4'-P energy: -11.386 bonds (distance) P-C4' energy: -13.251 flat angles C4'-P-C4' energy: -10.882 flat angles P-C4'-P energy: -5.670 tors. eta vs tors. theta energy: -9.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -161.867719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.867719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.867719 (E_RNA) where: Base-Base interactions energy: -94.852 where: short stacking energy: -62.664 Base-Backbone interact. energy: -0.018 local terms energy: -66.997934 where: bonds (distance) C4'-P energy: -14.174 bonds (distance) P-C4' energy: -14.406 flat angles C4'-P-C4' energy: -11.633 flat angles P-C4'-P energy: -10.659 tors. eta vs tors. theta energy: -16.126 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: 163 Temperature: 0.950000 Total energy: -141.265126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.265126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.265126 (E_RNA) where: Base-Base interactions energy: -89.122 where: short stacking energy: -57.638 Base-Backbone interact. energy: -0.105 local terms energy: -52.037502 where: bonds (distance) C4'-P energy: -13.465 bonds (distance) P-C4' energy: -11.881 flat angles C4'-P-C4' energy: -8.828 flat angles P-C4'-P energy: -5.822 tors. eta vs tors. theta energy: -12.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -135.716510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.716510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.716510 (E_RNA) where: Base-Base interactions energy: -83.101 where: short stacking energy: -45.845 Base-Backbone interact. energy: -0.093 local terms energy: -52.521968 where: bonds (distance) C4'-P energy: -9.565 bonds (distance) P-C4' energy: -12.995 flat angles C4'-P-C4' energy: -9.975 flat angles P-C4'-P energy: -9.416 tors. eta vs tors. theta energy: -10.571 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: 6 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -139.634723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.634723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.634723 (E_RNA) where: Base-Base interactions energy: -88.149 where: short stacking energy: -56.538 Base-Backbone interact. energy: 2.322 local terms energy: -53.807646 where: bonds (distance) C4'-P energy: -10.143 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -13.857 flat angles P-C4'-P energy: -6.806 tors. eta vs tors. theta energy: -10.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -105.807132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.807132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.807132 (E_RNA) where: Base-Base interactions energy: -58.720 where: short stacking energy: -35.167 Base-Backbone interact. energy: 0.486 local terms energy: -47.572630 where: bonds (distance) C4'-P energy: -8.514 bonds (distance) P-C4' energy: -8.733 flat angles C4'-P-C4' energy: -14.677 flat angles P-C4'-P energy: -7.591 tors. eta vs tors. theta energy: -8.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -102.427107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.427107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.427107 (E_RNA) where: Base-Base interactions energy: -46.755 where: short stacking energy: -35.547 Base-Backbone interact. energy: -1.315 local terms energy: -54.357635 where: bonds (distance) C4'-P energy: -12.016 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -15.079 flat angles P-C4'-P energy: -9.679 tors. eta vs tors. theta energy: -4.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -90.702069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.702069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.702069 (E_RNA) where: Base-Base interactions energy: -43.608 where: short stacking energy: -33.592 Base-Backbone interact. energy: -0.104 local terms energy: -46.990280 where: bonds (distance) C4'-P energy: -12.385 bonds (distance) P-C4' energy: -12.349 flat angles C4'-P-C4' energy: -12.986 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -4.631 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: 4 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -89.471512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.471512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.471512 (E_RNA) where: Base-Base interactions energy: -43.192 where: short stacking energy: -35.272 Base-Backbone interact. energy: -0.129 local terms energy: -46.150753 where: bonds (distance) C4'-P energy: -6.828 bonds (distance) P-C4' energy: -12.499 flat angles C4'-P-C4' energy: -9.467 flat angles P-C4'-P energy: -10.842 tors. eta vs tors. theta energy: -6.515 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: 10 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -75.681892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.681892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.681892 (E_RNA) where: Base-Base interactions energy: -34.217 where: short stacking energy: -29.883 Base-Backbone interact. energy: -0.064 local terms energy: -41.400917 where: bonds (distance) C4'-P energy: -12.140 bonds (distance) P-C4' energy: -11.602 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -8.177 tors. eta vs tors. theta energy: -2.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -78.561943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.561943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.561943 (E_RNA) where: Base-Base interactions energy: -33.559 where: short stacking energy: -23.032 Base-Backbone interact. energy: 0.985 local terms energy: -45.988286 where: bonds (distance) C4'-P energy: -11.569 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -13.201 flat angles P-C4'-P energy: -7.498 tors. eta vs tors. theta energy: -0.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -162.888146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.888146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.888146 (E_RNA) where: Base-Base interactions energy: -98.761 where: short stacking energy: -58.892 Base-Backbone interact. energy: -0.481 local terms energy: -63.645795 where: bonds (distance) C4'-P energy: -13.179 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -12.342 flat angles P-C4'-P energy: -12.709 tors. eta vs tors. theta energy: -9.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -166.220503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.220503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.220503 (E_RNA) where: Base-Base interactions energy: -100.672 where: short stacking energy: -62.513 Base-Backbone interact. energy: -0.003 local terms energy: -65.545037 where: bonds (distance) C4'-P energy: -14.041 bonds (distance) P-C4' energy: -10.182 flat angles C4'-P-C4' energy: -10.695 flat angles P-C4'-P energy: -10.795 tors. eta vs tors. theta energy: -19.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -145.530649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.530649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.530649 (E_RNA) where: Base-Base interactions energy: -87.356 where: short stacking energy: -60.891 Base-Backbone interact. energy: -0.006 local terms energy: -58.168747 where: bonds (distance) C4'-P energy: -11.565 bonds (distance) P-C4' energy: -10.048 flat angles C4'-P-C4' energy: -10.746 flat angles P-C4'-P energy: -12.344 tors. eta vs tors. theta energy: -13.465 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: 5 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -138.478010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.478010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.478010 (E_RNA) where: Base-Base interactions energy: -82.859 where: short stacking energy: -54.859 Base-Backbone interact. energy: -0.010 local terms energy: -55.608917 where: bonds (distance) C4'-P energy: -9.752 bonds (distance) P-C4' energy: -13.817 flat angles C4'-P-C4' energy: -12.945 flat angles P-C4'-P energy: -10.009 tors. eta vs tors. theta energy: -9.086 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: 3 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -103.537562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.537562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.537562 (E_RNA) where: Base-Base interactions energy: -42.602 where: short stacking energy: -42.602 Base-Backbone interact. energy: -0.001 local terms energy: -60.934368 where: bonds (distance) C4'-P energy: -14.616 bonds (distance) P-C4' energy: -12.604 flat angles C4'-P-C4' energy: -13.961 flat angles P-C4'-P energy: -8.901 tors. eta vs tors. theta energy: -10.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -89.538609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.538609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.538609 (E_RNA) where: Base-Base interactions energy: -37.011 where: short stacking energy: -37.011 Base-Backbone interact. energy: -0.022 local terms energy: -52.505550 where: bonds (distance) C4'-P energy: -11.263 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -13.617 flat angles P-C4'-P energy: -7.974 tors. eta vs tors. theta energy: -6.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -92.730830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.730830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.730830 (E_RNA) where: Base-Base interactions energy: -43.948 where: short stacking energy: -37.654 Base-Backbone interact. energy: -0.199 local terms energy: -48.584043 where: bonds (distance) C4'-P energy: -8.070 bonds (distance) P-C4' energy: -16.003 flat angles C4'-P-C4' energy: -7.739 flat angles P-C4'-P energy: -9.947 tors. eta vs tors. theta energy: -6.824 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: 9 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -80.374503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.374503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.374503 (E_RNA) where: Base-Base interactions energy: -35.344 where: short stacking energy: -32.923 Base-Backbone interact. energy: -0.106 local terms energy: -44.924822 where: bonds (distance) C4'-P energy: -13.145 bonds (distance) P-C4' energy: -8.384 flat angles C4'-P-C4' energy: -9.690 flat angles P-C4'-P energy: -7.689 tors. eta vs tors. theta energy: -6.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -83.889996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.889996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.889996 (E_RNA) where: Base-Base interactions energy: -43.464 where: short stacking energy: -38.197 Base-Backbone interact. energy: -0.017 local terms energy: -40.408797 where: bonds (distance) C4'-P energy: -11.296 bonds (distance) P-C4' energy: -8.277 flat angles C4'-P-C4' energy: -9.486 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -7.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -83.302513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.302513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.302513 (E_RNA) where: Base-Base interactions energy: -34.533 where: short stacking energy: -32.882 Base-Backbone interact. energy: -0.002 local terms energy: -48.768127 where: bonds (distance) C4'-P energy: -9.964 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -9.614 flat angles P-C4'-P energy: -9.508 tors. eta vs tors. theta energy: -3.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -158.099427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.099427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.099427 (E_RNA) where: Base-Base interactions energy: -97.673 where: short stacking energy: -57.852 Base-Backbone interact. energy: -0.010 local terms energy: -60.416507 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -11.793 flat angles C4'-P-C4' energy: -11.632 flat angles P-C4'-P energy: -10.541 tors. eta vs tors. theta energy: -12.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -139.932632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.932632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.932632 (E_RNA) where: Base-Base interactions energy: -83.068 where: short stacking energy: -51.828 Base-Backbone interact. energy: -0.168 local terms energy: -56.696771 where: bonds (distance) C4'-P energy: -12.212 bonds (distance) P-C4' energy: -11.376 flat angles C4'-P-C4' energy: -15.369 flat angles P-C4'-P energy: -9.682 tors. eta vs tors. theta energy: -8.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -154.468716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.468716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.468716 (E_RNA) where: Base-Base interactions energy: -93.598 where: short stacking energy: -62.762 Base-Backbone interact. energy: -0.012 local terms energy: -60.859067 where: bonds (distance) C4'-P energy: -12.107 bonds (distance) P-C4' energy: -12.455 flat angles C4'-P-C4' energy: -13.525 flat angles P-C4'-P energy: -8.504 tors. eta vs tors. theta energy: -14.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -137.607627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.607627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.607627 (E_RNA) where: Base-Base interactions energy: -81.158 where: short stacking energy: -58.086 Base-Backbone interact. energy: -0.140 local terms energy: -56.310236 where: bonds (distance) C4'-P energy: -9.763 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -12.459 flat angles P-C4'-P energy: -9.608 tors. eta vs tors. theta energy: -11.416 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: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -93.765293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.765293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.765293 (E_RNA) where: Base-Base interactions energy: -53.214 where: short stacking energy: -47.489 Base-Backbone interact. energy: 1.261 local terms energy: -41.811870 where: bonds (distance) C4'-P energy: -9.582 bonds (distance) P-C4' energy: -10.924 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -6.015 tors. eta vs tors. theta energy: -8.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -94.031991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.031991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.031991 (E_RNA) where: Base-Base interactions energy: -45.994 where: short stacking energy: -45.994 Base-Backbone interact. energy: -0.268 local terms energy: -47.769956 where: bonds (distance) C4'-P energy: -12.149 bonds (distance) P-C4' energy: -13.676 flat angles C4'-P-C4' energy: -11.409 flat angles P-C4'-P energy: -7.116 tors. eta vs tors. theta energy: -3.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -86.730645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.730645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.730645 (E_RNA) where: Base-Base interactions energy: -43.212 where: short stacking energy: -43.212 Base-Backbone interact. energy: 0.179 local terms energy: -43.698194 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -13.177 flat angles P-C4'-P energy: -2.525 tors. eta vs tors. theta energy: -5.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -86.860435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.860435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.860435 (E_RNA) where: Base-Base interactions energy: -34.563 where: short stacking energy: -34.505 Base-Backbone interact. energy: -0.319 local terms energy: -51.978184 where: bonds (distance) C4'-P energy: -12.894 bonds (distance) P-C4' energy: -12.484 flat angles C4'-P-C4' energy: -12.643 flat angles P-C4'-P energy: -11.050 tors. eta vs tors. theta energy: -2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -83.121242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.121242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.121242 (E_RNA) where: Base-Base interactions energy: -39.169 where: short stacking energy: -39.169 Base-Backbone interact. energy: -0.427 local terms energy: -43.524952 where: bonds (distance) C4'-P energy: -10.600 bonds (distance) P-C4' energy: -12.420 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -6.052 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: 10, replica: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -78.599368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.599368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.599368 (E_RNA) where: Base-Base interactions energy: -26.198 where: short stacking energy: -26.198 Base-Backbone interact. energy: -1.063 local terms energy: -51.338691 where: bonds (distance) C4'-P energy: -13.843 bonds (distance) P-C4' energy: -13.805 flat angles C4'-P-C4' energy: -13.184 flat angles P-C4'-P energy: -7.116 tors. eta vs tors. theta energy: -3.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -164.046979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.046979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.046979 (E_RNA) where: Base-Base interactions energy: -96.465 where: short stacking energy: -59.001 Base-Backbone interact. energy: 0.860 local terms energy: -68.441389 where: bonds (distance) C4'-P energy: -13.623 bonds (distance) P-C4' energy: -13.995 flat angles C4'-P-C4' energy: -15.369 flat angles P-C4'-P energy: -8.684 tors. eta vs tors. theta energy: -16.770 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: 2, replica: 6 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -140.669279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.669279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.669279 (E_RNA) where: Base-Base interactions energy: -86.456 where: short stacking energy: -53.162 Base-Backbone interact. energy: -0.653 local terms energy: -53.559860 where: bonds (distance) C4'-P energy: -11.445 bonds (distance) P-C4' energy: -13.262 flat angles C4'-P-C4' energy: -13.248 flat angles P-C4'-P energy: -6.497 tors. eta vs tors. theta energy: -9.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -143.934762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.934762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.934762 (E_RNA) where: Base-Base interactions energy: -90.715 where: short stacking energy: -53.187 Base-Backbone interact. energy: -0.190 local terms energy: -53.029832 where: bonds (distance) C4'-P energy: -10.960 bonds (distance) P-C4' energy: -12.652 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -9.701 tors. eta vs tors. theta energy: -11.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -137.370714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.370714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.370714 (E_RNA) where: Base-Base interactions energy: -85.861 where: short stacking energy: -57.983 Base-Backbone interact. energy: -0.453 local terms energy: -51.057144 where: bonds (distance) C4'-P energy: -8.960 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -11.289 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -12.145 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: 5, replica: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -92.676922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.676922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.676922 (E_RNA) where: Base-Base interactions energy: -46.313 where: short stacking energy: -46.313 Base-Backbone interact. energy: 0.594 local terms energy: -46.957692 where: bonds (distance) C4'-P energy: -7.950 bonds (distance) P-C4' energy: -9.714 flat angles C4'-P-C4' energy: -10.578 flat angles P-C4'-P energy: -10.410 tors. eta vs tors. theta energy: -8.305 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: 7 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -88.512391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.512391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.512391 (E_RNA) where: Base-Base interactions energy: -39.717 where: short stacking energy: -32.731 Base-Backbone interact. energy: -0.106 local terms energy: -48.689158 where: bonds (distance) C4'-P energy: -8.716 bonds (distance) P-C4' energy: -9.615 flat angles C4'-P-C4' energy: -15.365 flat angles P-C4'-P energy: -8.507 tors. eta vs tors. theta energy: -6.486 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: 9 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -95.282380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.282380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.282380 (E_RNA) where: Base-Base interactions energy: -44.033 where: short stacking energy: -44.033 Base-Backbone interact. energy: 1.309 local terms energy: -52.558401 where: bonds (distance) C4'-P energy: -10.127 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -11.356 flat angles P-C4'-P energy: -10.067 tors. eta vs tors. theta energy: -6.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -79.357806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.357806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.357806 (E_RNA) where: Base-Base interactions energy: -35.990 where: short stacking energy: -32.267 Base-Backbone interact. energy: 0.536 local terms energy: -43.903633 where: bonds (distance) C4'-P energy: -7.370 bonds (distance) P-C4' energy: -13.237 flat angles C4'-P-C4' energy: -13.303 flat angles P-C4'-P energy: -5.670 tors. eta vs tors. theta energy: -4.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -76.267617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.267617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.267617 (E_RNA) where: Base-Base interactions energy: -32.064 where: short stacking energy: -29.209 Base-Backbone interact. energy: 0.753 local terms energy: -44.957480 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -14.141 flat angles C4'-P-C4' energy: -9.437 flat angles P-C4'-P energy: -7.982 tors. eta vs tors. theta energy: -2.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -82.848770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.848770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.848770 (E_RNA) where: Base-Base interactions energy: -30.781 where: short stacking energy: -30.781 Base-Backbone interact. energy: -0.088 local terms energy: -51.979703 where: bonds (distance) C4'-P energy: -10.212 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -11.804 flat angles P-C4'-P energy: -10.505 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: 1 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -147.784392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.784392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.784392 (E_RNA) where: Base-Base interactions energy: -84.557 where: short stacking energy: -58.654 Base-Backbone interact. energy: -0.002 local terms energy: -63.225443 where: bonds (distance) C4'-P energy: -11.262 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -14.102 flat angles P-C4'-P energy: -8.849 tors. eta vs tors. theta energy: -13.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -145.537277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.537277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.537277 (E_RNA) where: Base-Base interactions energy: -83.340 where: short stacking energy: -51.665 Base-Backbone interact. energy: -0.572 local terms energy: -61.624546 where: bonds (distance) C4'-P energy: -15.187 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -11.537 flat angles P-C4'-P energy: -8.588 tors. eta vs tors. theta energy: -12.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -145.630574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.630574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.630574 (E_RNA) where: Base-Base interactions energy: -85.428 where: short stacking energy: -54.157 Base-Backbone interact. energy: -0.015 local terms energy: -60.186957 where: bonds (distance) C4'-P energy: -12.865 bonds (distance) P-C4' energy: -14.460 flat angles C4'-P-C4' energy: -12.078 flat angles P-C4'-P energy: -7.548 tors. eta vs tors. theta energy: -13.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -132.870135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.870135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.870135 (E_RNA) where: Base-Base interactions energy: -80.341 where: short stacking energy: -49.795 Base-Backbone interact. energy: -0.092 local terms energy: -52.437460 where: bonds (distance) C4'-P energy: -9.277 bonds (distance) P-C4' energy: -10.570 flat angles C4'-P-C4' energy: -11.796 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -15.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -107.415588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.415588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.415588 (E_RNA) where: Base-Base interactions energy: -48.698 where: short stacking energy: -48.076 Base-Backbone interact. energy: -0.018 local terms energy: -58.699979 where: bonds (distance) C4'-P energy: -12.508 bonds (distance) P-C4' energy: -14.924 flat angles C4'-P-C4' energy: -14.551 flat angles P-C4'-P energy: -6.682 tors. eta vs tors. theta energy: -10.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -95.077156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.077156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.077156 (E_RNA) where: Base-Base interactions energy: -39.402 where: short stacking energy: -34.624 Base-Backbone interact. energy: -0.030 local terms energy: -55.644821 where: bonds (distance) C4'-P energy: -12.040 bonds (distance) P-C4' energy: -13.589 flat angles C4'-P-C4' energy: -10.622 flat angles P-C4'-P energy: -11.107 tors. eta vs tors. theta energy: -8.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -89.423530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.423530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.423530 (E_RNA) where: Base-Base interactions energy: -43.331 where: short stacking energy: -28.241 Base-Backbone interact. energy: -0.132 local terms energy: -45.960544 where: bonds (distance) C4'-P energy: -10.119 bonds (distance) P-C4' energy: -14.292 flat angles C4'-P-C4' energy: -13.300 flat angles P-C4'-P energy: -7.725 tors. eta vs tors. theta energy: -0.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -77.508500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.508500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.508500 (E_RNA) where: Base-Base interactions energy: -33.540 where: short stacking energy: -30.862 Base-Backbone interact. energy: 0.104 local terms energy: -44.073003 where: bonds (distance) C4'-P energy: -9.138 bonds (distance) P-C4' energy: -13.399 flat angles C4'-P-C4' energy: -14.381 flat angles P-C4'-P energy: -4.830 tors. eta vs tors. theta energy: -2.324 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: 9, replica: 4 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -83.954631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.954631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.954631 (E_RNA) where: Base-Base interactions energy: -40.719 where: short stacking energy: -30.883 Base-Backbone interact. energy: -0.103 local terms energy: -43.132408 where: bonds (distance) C4'-P energy: -12.533 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -9.629 flat angles P-C4'-P energy: -6.370 tors. eta vs tors. theta energy: 0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -80.769580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.769580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.769580 (E_RNA) where: Base-Base interactions energy: -37.173 where: short stacking energy: -35.732 Base-Backbone interact. energy: -0.054 local terms energy: -43.542585 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -6.649 flat angles C4'-P-C4' energy: -13.771 flat angles P-C4'-P energy: -0.082 tors. eta vs tors. theta energy: -8.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -153.406105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.406105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.406105 (E_RNA) where: Base-Base interactions energy: -92.378 where: short stacking energy: -61.165 Base-Backbone interact. energy: -0.143 local terms energy: -60.885085 where: bonds (distance) C4'-P energy: -11.548 bonds (distance) P-C4' energy: -12.989 flat angles C4'-P-C4' energy: -13.465 flat angles P-C4'-P energy: -9.064 tors. eta vs tors. theta energy: -13.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -141.309023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.309023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.309023 (E_RNA) where: Base-Base interactions energy: -83.427 where: short stacking energy: -52.799 Base-Backbone interact. energy: -0.829 local terms energy: -57.053386 where: bonds (distance) C4'-P energy: -13.729 bonds (distance) P-C4' energy: -12.337 flat angles C4'-P-C4' energy: -11.704 flat angles P-C4'-P energy: -9.027 tors. eta vs tors. theta energy: -10.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -164.238726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.238726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.238726 (E_RNA) where: Base-Base interactions energy: -101.433 where: short stacking energy: -60.803 Base-Backbone interact. energy: -0.002 local terms energy: -62.803711 where: bonds (distance) C4'-P energy: -8.555 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -15.991 flat angles P-C4'-P energy: -8.920 tors. eta vs tors. theta energy: -16.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -146.082720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.082720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.082720 (E_RNA) where: Base-Base interactions energy: -91.786 where: short stacking energy: -62.929 Base-Backbone interact. energy: -0.001 local terms energy: -54.296050 where: bonds (distance) C4'-P energy: -11.922 bonds (distance) P-C4' energy: -9.220 flat angles C4'-P-C4' energy: -10.638 flat angles P-C4'-P energy: -11.274 tors. eta vs tors. theta energy: -11.242 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: 9 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -105.028500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.028500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.028500 (E_RNA) where: Base-Base interactions energy: -52.849 where: short stacking energy: -51.909 Base-Backbone interact. energy: -0.122 local terms energy: -52.057873 where: bonds (distance) C4'-P energy: -12.593 bonds (distance) P-C4' energy: -12.800 flat angles C4'-P-C4' energy: -11.120 flat angles P-C4'-P energy: -5.738 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: 6, replica: 3 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -104.539645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.539645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.539645 (E_RNA) where: Base-Base interactions energy: -46.278 where: short stacking energy: -46.278 Base-Backbone interact. energy: -0.150 local terms energy: -58.112016 where: bonds (distance) C4'-P energy: -13.353 bonds (distance) P-C4' energy: -14.170 flat angles C4'-P-C4' energy: -12.562 flat angles P-C4'-P energy: -8.147 tors. eta vs tors. theta energy: -9.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -76.917930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.917930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.917930 (E_RNA) where: Base-Base interactions energy: -29.286 where: short stacking energy: -29.286 Base-Backbone interact. energy: -0.301 local terms energy: -47.330806 where: bonds (distance) C4'-P energy: -11.982 bonds (distance) P-C4' energy: -12.600 flat angles C4'-P-C4' energy: -9.999 flat angles P-C4'-P energy: -10.143 tors. eta vs tors. theta energy: -2.606 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: 7 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -82.648963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.648963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.648963 (E_RNA) where: Base-Base interactions energy: -30.681 where: short stacking energy: -29.182 Base-Backbone interact. energy: -0.119 local terms energy: -51.848906 where: bonds (distance) C4'-P energy: -13.872 bonds (distance) P-C4' energy: -11.065 flat angles C4'-P-C4' energy: -11.727 flat angles P-C4'-P energy: -12.262 tors. eta vs tors. theta energy: -2.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -75.547011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.547011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.547011 (E_RNA) where: Base-Base interactions energy: -33.963 where: short stacking energy: -30.518 Base-Backbone interact. energy: -0.031 local terms energy: -41.552630 where: bonds (distance) C4'-P energy: -10.817 bonds (distance) P-C4' energy: -12.574 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -6.497 tors. eta vs tors. theta energy: -7.160 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: 4 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -66.558978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.558978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.558978 (E_RNA) where: Base-Base interactions energy: -29.473 where: short stacking energy: -26.297 Base-Backbone interact. energy: -0.262 local terms energy: -36.824356 where: bonds (distance) C4'-P energy: -10.392 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -7.466 flat angles P-C4'-P energy: -4.799 tors. eta vs tors. theta energy: -1.064 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: 1 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -157.812330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.812330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.812330 (E_RNA) where: Base-Base interactions energy: -95.056 where: short stacking energy: -58.423 Base-Backbone interact. energy: -0.006 local terms energy: -62.750708 where: bonds (distance) C4'-P energy: -15.233 bonds (distance) P-C4' energy: -14.327 flat angles C4'-P-C4' energy: -9.514 flat angles P-C4'-P energy: -9.233 tors. eta vs tors. theta energy: -14.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -163.230588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.230588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.230588 (E_RNA) where: Base-Base interactions energy: -101.084 where: short stacking energy: -61.152 Base-Backbone interact. energy: -0.175 local terms energy: -61.972415 where: bonds (distance) C4'-P energy: -11.350 bonds (distance) P-C4' energy: -12.697 flat angles C4'-P-C4' energy: -14.330 flat angles P-C4'-P energy: -10.329 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: 3, replica: 6 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -132.686931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.686931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.686931 (E_RNA) where: Base-Base interactions energy: -79.561 where: short stacking energy: -44.130 Base-Backbone interact. energy: -0.139 local terms energy: -52.986606 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -10.609 flat angles C4'-P-C4' energy: -14.134 flat angles P-C4'-P energy: -10.418 tors. eta vs tors. theta energy: -4.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -156.216792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.216792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.216792 (E_RNA) where: Base-Base interactions energy: -95.350 where: short stacking energy: -56.192 Base-Backbone interact. energy: -0.574 local terms energy: -60.293172 where: bonds (distance) C4'-P energy: -13.474 bonds (distance) P-C4' energy: -11.905 flat angles C4'-P-C4' energy: -10.977 flat angles P-C4'-P energy: -9.090 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: 5, replica: 9 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -94.703394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.703394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.703394 (E_RNA) where: Base-Base interactions energy: -38.484 where: short stacking energy: -38.484 Base-Backbone interact. energy: -0.045 local terms energy: -56.175327 where: bonds (distance) C4'-P energy: -14.376 bonds (distance) P-C4' energy: -12.250 flat angles C4'-P-C4' energy: -13.156 flat angles P-C4'-P energy: -8.543 tors. eta vs tors. theta energy: -7.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -83.816475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.816475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.816475 (E_RNA) where: Base-Base interactions energy: -35.702 where: short stacking energy: -35.702 Base-Backbone interact. energy: -0.017 local terms energy: -48.097424 where: bonds (distance) C4'-P energy: -9.929 bonds (distance) P-C4' energy: -14.180 flat angles C4'-P-C4' energy: -14.358 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -4.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -92.335390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.335390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.335390 (E_RNA) where: Base-Base interactions energy: -41.630 where: short stacking energy: -37.162 Base-Backbone interact. energy: -0.833 local terms energy: -49.871877 where: bonds (distance) C4'-P energy: -9.300 bonds (distance) P-C4' energy: -12.976 flat angles C4'-P-C4' energy: -12.076 flat angles P-C4'-P energy: -7.743 tors. eta vs tors. theta energy: -7.777 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: 8, replica: 7 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -74.137144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.137144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.137144 (E_RNA) where: Base-Base interactions energy: -25.725 where: short stacking energy: -24.785 Base-Backbone interact. energy: -0.051 local terms energy: -48.361190 where: bonds (distance) C4'-P energy: -10.882 bonds (distance) P-C4' energy: -15.957 flat angles C4'-P-C4' energy: -11.816 flat angles P-C4'-P energy: -8.570 tors. eta vs tors. theta energy: -1.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -80.174479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.174479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.174479 (E_RNA) where: Base-Base interactions energy: -37.324 where: short stacking energy: -34.903 Base-Backbone interact. energy: -0.259 local terms energy: -42.591732 where: bonds (distance) C4'-P energy: -11.834 bonds (distance) P-C4' energy: -8.697 flat angles C4'-P-C4' energy: -11.725 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -4.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -77.351442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.351442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.351442 (E_RNA) where: Base-Base interactions energy: -35.280 where: short stacking energy: -31.604 Base-Backbone interact. energy: -0.114 local terms energy: -41.957486 where: bonds (distance) C4'-P energy: -9.996 bonds (distance) P-C4' energy: -11.613 flat angles C4'-P-C4' energy: -8.203 flat angles P-C4'-P energy: -11.460 tors. eta vs tors. theta energy: -0.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -158.457342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.457342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.457342 (E_RNA) where: Base-Base interactions energy: -95.360 where: short stacking energy: -56.411 Base-Backbone interact. energy: -0.019 local terms energy: -63.078544 where: bonds (distance) C4'-P energy: -14.111 bonds (distance) P-C4' energy: -12.393 flat angles C4'-P-C4' energy: -11.997 flat angles P-C4'-P energy: -9.273 tors. eta vs tors. theta energy: -15.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -167.694962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.694962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.694962 (E_RNA) where: Base-Base interactions energy: -103.967 where: short stacking energy: -66.114 Base-Backbone interact. energy: -0.175 local terms energy: -63.553652 where: bonds (distance) C4'-P energy: -10.933 bonds (distance) P-C4' energy: -13.688 flat angles C4'-P-C4' energy: -12.188 flat angles P-C4'-P energy: -11.112 tors. eta vs tors. theta energy: -15.632 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: 5 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -145.216900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.216900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.216900 (E_RNA) where: Base-Base interactions energy: -91.402 where: short stacking energy: -53.369 Base-Backbone interact. energy: -0.390 local terms energy: -53.425067 where: bonds (distance) C4'-P energy: -13.170 bonds (distance) P-C4' energy: -13.095 flat angles C4'-P-C4' energy: -7.689 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -13.028 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: 6 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -147.914682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.914682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.914682 (E_RNA) where: Base-Base interactions energy: -84.812 where: short stacking energy: -48.018 Base-Backbone interact. energy: -1.051 local terms energy: -62.052276 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -12.461 flat angles C4'-P-C4' energy: -12.739 flat angles P-C4'-P energy: -10.260 tors. eta vs tors. theta energy: -13.715 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: 170 Temperature: 1.100000 Total energy: -120.873996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.873996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.873996 (E_RNA) where: Base-Base interactions energy: -65.874 where: short stacking energy: -52.323 Base-Backbone interact. energy: -0.551 local terms energy: -54.449459 where: bonds (distance) C4'-P energy: -8.195 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -8.212 tors. eta vs tors. theta energy: -10.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -103.650531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.650531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.650531 (E_RNA) where: Base-Base interactions energy: -56.402 where: short stacking energy: -47.200 Base-Backbone interact. energy: -0.576 local terms energy: -46.672181 where: bonds (distance) C4'-P energy: -10.439 bonds (distance) P-C4' energy: -14.283 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -5.115 tors. eta vs tors. theta energy: -12.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -78.960027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.960027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.960027 (E_RNA) where: Base-Base interactions energy: -29.014 where: short stacking energy: -25.671 Base-Backbone interact. energy: -0.193 local terms energy: -49.753460 where: bonds (distance) C4'-P energy: -10.327 bonds (distance) P-C4' energy: -14.948 flat angles C4'-P-C4' energy: -13.228 flat angles P-C4'-P energy: -10.166 tors. eta vs tors. theta energy: -1.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -90.825517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.825517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.825517 (E_RNA) where: Base-Base interactions energy: -35.190 where: short stacking energy: -35.190 Base-Backbone interact. energy: 0.137 local terms energy: -55.772467 where: bonds (distance) C4'-P energy: -14.069 bonds (distance) P-C4' energy: -14.479 flat angles C4'-P-C4' energy: -11.646 flat angles P-C4'-P energy: -9.784 tors. eta vs tors. theta energy: -5.794 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: 9, replica: 4 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -113.658139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.658139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.658139 (E_RNA) where: Base-Base interactions energy: -65.237 where: short stacking energy: -38.162 Base-Backbone interact. energy: -0.170 local terms energy: -48.251101 where: bonds (distance) C4'-P energy: -12.107 bonds (distance) P-C4' energy: -10.123 flat angles C4'-P-C4' energy: -12.222 flat angles P-C4'-P energy: -6.248 tors. eta vs tors. theta energy: -7.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -77.569321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.569321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.569321 (E_RNA) where: Base-Base interactions energy: -31.028 where: short stacking energy: -31.028 Base-Backbone interact. energy: -0.221 local terms energy: -46.320207 where: bonds (distance) C4'-P energy: -8.828 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -9.945 flat angles P-C4'-P energy: -7.936 tors. eta vs tors. theta energy: -7.279 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: 1 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -153.543991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.543991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.543991 (E_RNA) where: Base-Base interactions energy: -95.561 where: short stacking energy: -61.319 Base-Backbone interact. energy: -0.157 local terms energy: -57.826092 where: bonds (distance) C4'-P energy: -10.488 bonds (distance) P-C4' energy: -13.846 flat angles C4'-P-C4' energy: -14.515 flat angles P-C4'-P energy: -6.975 tors. eta vs tors. theta energy: -12.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -158.981704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.981704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.981704 (E_RNA) where: Base-Base interactions energy: -93.628 where: short stacking energy: -57.970 Base-Backbone interact. energy: -0.852 local terms energy: -64.502342 where: bonds (distance) C4'-P energy: -13.895 bonds (distance) P-C4' energy: -12.703 flat angles C4'-P-C4' energy: -14.374 flat angles P-C4'-P energy: -9.074 tors. eta vs tors. theta energy: -14.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -131.208932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.208932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.208932 (E_RNA) where: Base-Base interactions energy: -75.758 where: short stacking energy: -43.282 Base-Backbone interact. energy: -0.004 local terms energy: -55.447021 where: bonds (distance) C4'-P energy: -9.951 bonds (distance) P-C4' energy: -12.361 flat angles C4'-P-C4' energy: -13.613 flat angles P-C4'-P energy: -8.795 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: 4, replica: 6 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -142.252207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.252207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.252207 (E_RNA) where: Base-Base interactions energy: -89.480 where: short stacking energy: -47.415 Base-Backbone interact. energy: -0.002 local terms energy: -52.770038 where: bonds (distance) C4'-P energy: -12.371 bonds (distance) P-C4' energy: -8.050 flat angles C4'-P-C4' energy: -12.737 flat angles P-C4'-P energy: -8.009 tors. eta vs tors. theta energy: -11.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -121.257682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.257682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.257682 (E_RNA) where: Base-Base interactions energy: -72.899 where: short stacking energy: -50.103 Base-Backbone interact. energy: -0.091 local terms energy: -48.268004 where: bonds (distance) C4'-P energy: -10.915 bonds (distance) P-C4' energy: -9.610 flat angles C4'-P-C4' energy: -9.220 flat angles P-C4'-P energy: -8.552 tors. eta vs tors. theta energy: -9.971 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: 7 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -128.497248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.497248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.497248 (E_RNA) where: Base-Base interactions energy: -77.712 where: short stacking energy: -39.887 Base-Backbone interact. energy: 0.832 local terms energy: -51.617430 where: bonds (distance) C4'-P energy: -10.812 bonds (distance) P-C4' energy: -12.308 flat angles C4'-P-C4' energy: -9.955 flat angles P-C4'-P energy: -6.691 tors. eta vs tors. theta energy: -11.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -84.026229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.026229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.026229 (E_RNA) where: Base-Base interactions energy: -41.747 where: short stacking energy: -37.518 Base-Backbone interact. energy: -0.002 local terms energy: -42.277139 where: bonds (distance) C4'-P energy: -11.090 bonds (distance) P-C4' energy: -12.792 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: 0.155 tors. eta vs tors. theta energy: -11.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -116.453751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.453751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.453751 (E_RNA) where: Base-Base interactions energy: -67.619 where: short stacking energy: -41.893 Base-Backbone interact. energy: -0.008 local terms energy: -48.826791 where: bonds (distance) C4'-P energy: -12.859 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -12.126 flat angles P-C4'-P energy: -8.936 tors. eta vs tors. theta energy: -6.047 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: 171 Temperature: 1.300000 Total energy: -75.089365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.089365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.089365 (E_RNA) where: Base-Base interactions energy: -32.146 where: short stacking energy: -28.071 Base-Backbone interact. energy: -0.200 local terms energy: -42.743043 where: bonds (distance) C4'-P energy: -8.572 bonds (distance) P-C4' energy: -12.010 flat angles C4'-P-C4' energy: -11.680 flat angles P-C4'-P energy: -3.478 tors. eta vs tors. theta energy: -7.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -77.610408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.610408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.610408 (E_RNA) where: Base-Base interactions energy: -34.205 where: short stacking energy: -34.205 Base-Backbone interact. energy: -0.058 local terms energy: -43.348262 where: bonds (distance) C4'-P energy: -8.204 bonds (distance) P-C4' energy: -13.118 flat angles C4'-P-C4' energy: -8.478 flat angles P-C4'-P energy: -7.578 tors. eta vs tors. theta energy: -5.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -165.190264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.190264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.190264 (E_RNA) where: Base-Base interactions energy: -101.087 where: short stacking energy: -64.844 Base-Backbone interact. energy: -0.001 local terms energy: -64.101950 where: bonds (distance) C4'-P energy: -11.087 bonds (distance) P-C4' energy: -15.506 flat angles C4'-P-C4' energy: -14.818 flat angles P-C4'-P energy: -7.632 tors. eta vs tors. theta energy: -15.058 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: 2, replica: 2 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -155.079208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.079208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.079208 (E_RNA) where: Base-Base interactions energy: -90.384 where: short stacking energy: -61.328 Base-Backbone interact. energy: -0.177 local terms energy: -64.517847 where: bonds (distance) C4'-P energy: -14.235 bonds (distance) P-C4' energy: -10.625 flat angles C4'-P-C4' energy: -14.116 flat angles P-C4'-P energy: -8.410 tors. eta vs tors. theta energy: -17.132 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: 6 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -154.172270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.172270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.172270 (E_RNA) where: Base-Base interactions energy: -95.934 where: short stacking energy: -63.863 Base-Backbone interact. energy: 0.332 local terms energy: -58.569965 where: bonds (distance) C4'-P energy: -12.617 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -10.699 flat angles P-C4'-P energy: -7.525 tors. eta vs tors. theta energy: -14.256 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: 172 Temperature: 1.050000 Total energy: -143.881539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.881539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.881539 (E_RNA) where: Base-Base interactions energy: -84.568 where: short stacking energy: -57.213 Base-Backbone interact. energy: -0.005 local terms energy: -59.309003 where: bonds (distance) C4'-P energy: -12.542 bonds (distance) P-C4' energy: -12.394 flat angles C4'-P-C4' energy: -14.736 flat angles P-C4'-P energy: -10.558 tors. eta vs tors. theta energy: -9.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -127.635461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.635461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.635461 (E_RNA) where: Base-Base interactions energy: -74.055 where: short stacking energy: -43.837 Base-Backbone interact. energy: -0.159 local terms energy: -53.421191 where: bonds (distance) C4'-P energy: -12.626 bonds (distance) P-C4' energy: -10.168 flat angles C4'-P-C4' energy: -13.462 flat angles P-C4'-P energy: -11.060 tors. eta vs tors. theta energy: -6.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -122.590618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.590618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.590618 (E_RNA) where: Base-Base interactions energy: -75.539 where: short stacking energy: -42.939 Base-Backbone interact. energy: -0.228 local terms energy: -46.823015 where: bonds (distance) C4'-P energy: -13.582 bonds (distance) P-C4' energy: -10.817 flat angles C4'-P-C4' energy: -8.644 flat angles P-C4'-P energy: -9.490 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: 7, replica: 4 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -119.511253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.511253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.511253 (E_RNA) where: Base-Base interactions energy: -70.142 where: short stacking energy: -40.795 Base-Backbone interact. energy: -0.099 local terms energy: -49.270164 where: bonds (distance) C4'-P energy: -11.665 bonds (distance) P-C4' energy: -10.009 flat angles C4'-P-C4' energy: -13.044 flat angles P-C4'-P energy: -8.728 tors. eta vs tors. theta energy: -5.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -86.186642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.186642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.186642 (E_RNA) where: Base-Base interactions energy: -39.170 where: short stacking energy: -39.170 Base-Backbone interact. energy: -0.275 local terms energy: -46.741554 where: bonds (distance) C4'-P energy: -9.922 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -12.528 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -85.734695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.734695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.734695 (E_RNA) where: Base-Base interactions energy: -42.525 where: short stacking energy: -25.444 Base-Backbone interact. energy: -0.068 local terms energy: -43.142356 where: bonds (distance) C4'-P energy: -9.780 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -8.400 flat angles P-C4'-P energy: -2.909 tors. eta vs tors. theta energy: -6.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -72.904750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.904750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.904750 (E_RNA) where: Base-Base interactions energy: -23.385 where: short stacking energy: -19.408 Base-Backbone interact. energy: -0.175 local terms energy: -49.344713 where: bonds (distance) C4'-P energy: -9.122 bonds (distance) P-C4' energy: -16.489 flat angles C4'-P-C4' energy: -9.175 flat angles P-C4'-P energy: -7.178 tors. eta vs tors. theta energy: -7.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -167.822644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.822644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.822644 (E_RNA) where: Base-Base interactions energy: -102.180 where: short stacking energy: -66.033 Base-Backbone interact. energy: -0.006 local terms energy: -65.636911 where: bonds (distance) C4'-P energy: -13.797 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -14.553 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -16.465 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: 6 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -140.421574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.421574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.421574 (E_RNA) where: Base-Base interactions energy: -82.092 where: short stacking energy: -47.330 Base-Backbone interact. energy: -0.051 local terms energy: -58.278204 where: bonds (distance) C4'-P energy: -13.209 bonds (distance) P-C4' energy: -14.173 flat angles C4'-P-C4' energy: -12.256 flat angles P-C4'-P energy: -10.027 tors. eta vs tors. theta energy: -8.614 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: 2 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -153.421827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.421827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.421827 (E_RNA) where: Base-Base interactions energy: -91.519 where: short stacking energy: -61.255 Base-Backbone interact. energy: -0.614 local terms energy: -61.289170 where: bonds (distance) C4'-P energy: -9.995 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -14.928 flat angles P-C4'-P energy: -10.071 tors. eta vs tors. theta energy: -12.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -113.623775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.623775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.623775 (E_RNA) where: Base-Base interactions energy: -56.082 where: short stacking energy: -40.353 Base-Backbone interact. energy: -0.102 local terms energy: -57.440042 where: bonds (distance) C4'-P energy: -12.592 bonds (distance) P-C4' energy: -13.385 flat angles C4'-P-C4' energy: -13.338 flat angles P-C4'-P energy: -11.451 tors. eta vs tors. theta energy: -6.675 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: 173 Temperature: 1.100000 Total energy: -130.328692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.328692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.328692 (E_RNA) where: Base-Base interactions energy: -75.865 where: short stacking energy: -47.649 Base-Backbone interact. energy: -0.832 local terms energy: -53.631665 where: bonds (distance) C4'-P energy: -13.279 bonds (distance) P-C4' energy: -14.482 flat angles C4'-P-C4' energy: -11.175 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -9.288 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: 4 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -126.002017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.002017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.002017 (E_RNA) where: Base-Base interactions energy: -78.613 where: short stacking energy: -52.103 Base-Backbone interact. energy: -0.110 local terms energy: -47.279527 where: bonds (distance) C4'-P energy: -8.973 bonds (distance) P-C4' energy: -9.426 flat angles C4'-P-C4' energy: -14.350 flat angles P-C4'-P energy: -9.665 tors. eta vs tors. theta energy: -4.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -130.961444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.961444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.961444 (E_RNA) where: Base-Base interactions energy: -77.186 where: short stacking energy: -46.214 Base-Backbone interact. energy: -0.176 local terms energy: -53.598688 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -11.080 flat angles P-C4'-P energy: -6.750 tors. eta vs tors. theta energy: -9.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -82.237687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.237687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.237687 (E_RNA) where: Base-Base interactions energy: -34.451 where: short stacking energy: -34.451 Base-Backbone interact. energy: -0.128 local terms energy: -47.658126 where: bonds (distance) C4'-P energy: -12.761 bonds (distance) P-C4' energy: -9.158 flat angles C4'-P-C4' energy: -12.414 flat angles P-C4'-P energy: -8.389 tors. eta vs tors. theta energy: -4.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -83.193059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.193059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.193059 (E_RNA) where: Base-Base interactions energy: -43.828 where: short stacking energy: -33.828 Base-Backbone interact. energy: 1.001 local terms energy: -40.365877 where: bonds (distance) C4'-P energy: -9.231 bonds (distance) P-C4' energy: -10.623 flat angles C4'-P-C4' energy: -9.172 flat angles P-C4'-P energy: -8.326 tors. eta vs tors. theta energy: -3.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -75.310846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.310846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.310846 (E_RNA) where: Base-Base interactions energy: -30.039 where: short stacking energy: -25.819 Base-Backbone interact. energy: -0.140 local terms energy: -45.132099 where: bonds (distance) C4'-P energy: -11.792 bonds (distance) P-C4' energy: -12.343 flat angles C4'-P-C4' energy: -9.290 flat angles P-C4'-P energy: -7.199 tors. eta vs tors. theta energy: -4.508 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: 174 Temperature: 0.900000 Total energy: -156.974632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.974632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.974632 (E_RNA) where: Base-Base interactions energy: -96.142 where: short stacking energy: -62.018 Base-Backbone interact. energy: -0.011 local terms energy: -60.821589 where: bonds (distance) C4'-P energy: -14.161 bonds (distance) P-C4' energy: -15.228 flat angles C4'-P-C4' energy: -11.961 flat angles P-C4'-P energy: -7.182 tors. eta vs tors. theta energy: -12.290 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: 1 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -153.806720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.806720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.806720 (E_RNA) where: Base-Base interactions energy: -92.482 where: short stacking energy: -55.282 Base-Backbone interact. energy: -2.105 local terms energy: -59.219610 where: bonds (distance) C4'-P energy: -11.553 bonds (distance) P-C4' energy: -12.785 flat angles C4'-P-C4' energy: -13.521 flat angles P-C4'-P energy: -8.566 tors. eta vs tors. theta energy: -12.795 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: 2 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -150.596870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.596870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.596870 (E_RNA) where: Base-Base interactions energy: -86.488 where: short stacking energy: -54.515 Base-Backbone interact. energy: -0.420 local terms energy: -63.689526 where: bonds (distance) C4'-P energy: -12.458 bonds (distance) P-C4' energy: -15.108 flat angles C4'-P-C4' energy: -12.842 flat angles P-C4'-P energy: -10.610 tors. eta vs tors. theta energy: -12.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -146.149731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.149731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.149731 (E_RNA) where: Base-Base interactions energy: -81.600 where: short stacking energy: -64.076 Base-Backbone interact. energy: -0.031 local terms energy: -64.518220 where: bonds (distance) C4'-P energy: -13.813 bonds (distance) P-C4' energy: -10.316 flat angles C4'-P-C4' energy: -12.490 flat angles P-C4'-P energy: -10.650 tors. eta vs tors. theta energy: -17.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -120.609534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.609534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.609534 (E_RNA) where: Base-Base interactions energy: -66.114 where: short stacking energy: -36.328 Base-Backbone interact. energy: 0.560 local terms energy: -55.055341 where: bonds (distance) C4'-P energy: -11.855 bonds (distance) P-C4' energy: -12.749 flat angles C4'-P-C4' energy: -14.862 flat angles P-C4'-P energy: -7.501 tors. eta vs tors. theta energy: -8.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -129.327687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.327687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.327687 (E_RNA) where: Base-Base interactions energy: -79.661 where: short stacking energy: -47.751 Base-Backbone interact. energy: -0.024 local terms energy: -49.643560 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -9.102 flat angles P-C4'-P energy: -9.371 tors. eta vs tors. theta energy: -12.463 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: 174 Temperature: 1.200000 Total energy: -80.882323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.882323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.882323 (E_RNA) where: Base-Base interactions energy: -32.712 where: short stacking energy: -32.712 Base-Backbone interact. energy: -0.223 local terms energy: -47.946666 where: bonds (distance) C4'-P energy: -13.047 bonds (distance) P-C4' energy: -12.360 flat angles C4'-P-C4' energy: -11.324 flat angles P-C4'-P energy: -8.286 tors. eta vs tors. theta energy: -2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -124.597695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.597695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.597695 (E_RNA) where: Base-Base interactions energy: -73.455 where: short stacking energy: -49.214 Base-Backbone interact. energy: 0.565 local terms energy: -51.708013 where: bonds (distance) C4'-P energy: -13.766 bonds (distance) P-C4' energy: -11.683 flat angles C4'-P-C4' energy: -11.890 flat angles P-C4'-P energy: -3.457 tors. eta vs tors. theta energy: -10.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -93.607134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.607134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.607134 (E_RNA) where: Base-Base interactions energy: -44.761 where: short stacking energy: -44.136 Base-Backbone interact. energy: -0.028 local terms energy: -48.817928 where: bonds (distance) C4'-P energy: -9.903 bonds (distance) P-C4' energy: -9.178 flat angles C4'-P-C4' energy: -13.281 flat angles P-C4'-P energy: -8.043 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: 10, replica: 9 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -80.221117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.221117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.221117 (E_RNA) where: Base-Base interactions energy: -38.072 where: short stacking energy: -34.829 Base-Backbone interact. energy: -0.274 local terms energy: -41.874597 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -11.966 flat angles P-C4'-P energy: -8.392 tors. eta vs tors. theta energy: -4.540 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: 6 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -148.448292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.448292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.448292 (E_RNA) where: Base-Base interactions energy: -83.459 where: short stacking energy: -54.598 Base-Backbone interact. energy: -0.021 local terms energy: -64.967883 where: bonds (distance) C4'-P energy: -12.683 bonds (distance) P-C4' energy: -15.792 flat angles C4'-P-C4' energy: -13.773 flat angles P-C4'-P energy: -12.173 tors. eta vs tors. theta energy: -10.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -156.648179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.648179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.648179 (E_RNA) where: Base-Base interactions energy: -92.927 where: short stacking energy: -56.103 Base-Backbone interact. energy: -0.012 local terms energy: -63.709080 where: bonds (distance) C4'-P energy: -13.825 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -15.417 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -15.119 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: 1 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -151.160472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.160472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.160472 (E_RNA) where: Base-Base interactions energy: -87.789 where: short stacking energy: -57.746 Base-Backbone interact. energy: -0.073 local terms energy: -63.298627 where: bonds (distance) C4'-P energy: -13.759 bonds (distance) P-C4' energy: -14.074 flat angles C4'-P-C4' energy: -15.461 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -14.591 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: 4 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -130.926594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.926594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.926594 (E_RNA) where: Base-Base interactions energy: -73.498 where: short stacking energy: -37.177 Base-Backbone interact. energy: -0.060 local terms energy: -57.368882 where: bonds (distance) C4'-P energy: -9.723 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -13.791 flat angles P-C4'-P energy: -11.069 tors. eta vs tors. theta energy: -7.242 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: 7 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -134.153572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.153572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.153572 (E_RNA) where: Base-Base interactions energy: -81.498 where: short stacking energy: -54.075 Base-Backbone interact. energy: -0.008 local terms energy: -52.648041 where: bonds (distance) C4'-P energy: -8.456 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -9.521 flat angles P-C4'-P energy: -8.906 tors. eta vs tors. theta energy: -11.849 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: 175 Temperature: 1.150000 Total energy: -126.101560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.101560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.101560 (E_RNA) where: Base-Base interactions energy: -67.650 where: short stacking energy: -45.294 Base-Backbone interact. energy: -0.098 local terms energy: -58.354238 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -9.429 flat angles C4'-P-C4' energy: -13.916 flat angles P-C4'-P energy: -8.953 tors. eta vs tors. theta energy: -12.788 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: 7, replica: 8 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -76.586813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.586813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.586813 (E_RNA) where: Base-Base interactions energy: -35.900 where: short stacking energy: -34.696 Base-Backbone interact. energy: -0.155 local terms energy: -40.531536 where: bonds (distance) C4'-P energy: -10.472 bonds (distance) P-C4' energy: -9.340 flat angles C4'-P-C4' energy: -8.423 flat angles P-C4'-P energy: -8.535 tors. eta vs tors. theta energy: -3.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -84.867677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.867677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.867677 (E_RNA) where: Base-Base interactions energy: -40.629 where: short stacking energy: -23.398 Base-Backbone interact. energy: -0.042 local terms energy: -44.196346 where: bonds (distance) C4'-P energy: -13.291 bonds (distance) P-C4' energy: -11.423 flat angles C4'-P-C4' energy: -12.750 flat angles P-C4'-P energy: -6.074 tors. eta vs tors. theta energy: -0.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -91.418378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.418378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.418378 (E_RNA) where: Base-Base interactions energy: -46.111 where: short stacking energy: -32.588 Base-Backbone interact. energy: -0.251 local terms energy: -45.056501 where: bonds (distance) C4'-P energy: -12.390 bonds (distance) P-C4' energy: -13.240 flat angles C4'-P-C4' energy: -11.103 flat angles P-C4'-P energy: -6.414 tors. eta vs tors. theta energy: -1.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -81.544613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.544613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.544613 (E_RNA) where: Base-Base interactions energy: -43.883 where: short stacking energy: -22.420 Base-Backbone interact. energy: -0.136 local terms energy: -37.525684 where: bonds (distance) C4'-P energy: -11.733 bonds (distance) P-C4' energy: -12.707 flat angles C4'-P-C4' energy: -5.004 flat angles P-C4'-P energy: -9.498 tors. eta vs tors. theta energy: 1.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -148.886440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.886440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.886440 (E_RNA) where: Base-Base interactions energy: -88.510 where: short stacking energy: -55.587 Base-Backbone interact. energy: -0.000 local terms energy: -60.376327 where: bonds (distance) C4'-P energy: -11.146 bonds (distance) P-C4' energy: -14.192 flat angles C4'-P-C4' energy: -13.166 flat angles P-C4'-P energy: -11.074 tors. eta vs tors. theta energy: -10.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -145.703363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.703363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.703363 (E_RNA) where: Base-Base interactions energy: -86.300 where: short stacking energy: -53.535 Base-Backbone interact. energy: -0.028 local terms energy: -59.375911 where: bonds (distance) C4'-P energy: -11.917 bonds (distance) P-C4' energy: -16.200 flat angles C4'-P-C4' energy: -12.123 flat angles P-C4'-P energy: -6.284 tors. eta vs tors. theta energy: -12.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -145.816230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.816230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.816230 (E_RNA) where: Base-Base interactions energy: -84.644 where: short stacking energy: -54.237 Base-Backbone interact. energy: 0.230 local terms energy: -61.402213 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -14.007 flat angles C4'-P-C4' energy: -11.316 flat angles P-C4'-P energy: -8.956 tors. eta vs tors. theta energy: -14.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -135.499321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.499321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.499321 (E_RNA) where: Base-Base interactions energy: -79.530 where: short stacking energy: -50.762 Base-Backbone interact. energy: -0.112 local terms energy: -55.857615 where: bonds (distance) C4'-P energy: -12.158 bonds (distance) P-C4' energy: -10.908 flat angles C4'-P-C4' energy: -11.112 flat angles P-C4'-P energy: -11.413 tors. eta vs tors. theta energy: -10.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -128.530152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.530152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.530152 (E_RNA) where: Base-Base interactions energy: -71.417 where: short stacking energy: -39.589 Base-Backbone interact. energy: -0.071 local terms energy: -57.041589 where: bonds (distance) C4'-P energy: -11.287 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -14.141 flat angles P-C4'-P energy: -7.404 tors. eta vs tors. theta energy: -8.697 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: 7 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -100.044247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.044247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.044247 (E_RNA) where: Base-Base interactions energy: -41.196 where: short stacking energy: -41.696 Base-Backbone interact. energy: -0.049 local terms energy: -58.799262 where: bonds (distance) C4'-P energy: -13.055 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -10.919 flat angles P-C4'-P energy: -11.830 tors. eta vs tors. theta energy: -9.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -85.412154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.412154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.412154 (E_RNA) where: Base-Base interactions energy: -31.233 where: short stacking energy: -31.201 Base-Backbone interact. energy: -0.252 local terms energy: -53.927607 where: bonds (distance) C4'-P energy: -12.462 bonds (distance) P-C4' energy: -10.682 flat angles C4'-P-C4' energy: -13.786 flat angles P-C4'-P energy: -10.215 tors. eta vs tors. theta energy: -6.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -98.622648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.622648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.622648 (E_RNA) where: Base-Base interactions energy: -47.310 where: short stacking energy: -45.567 Base-Backbone interact. energy: -0.085 local terms energy: -51.226920 where: bonds (distance) C4'-P energy: -9.769 bonds (distance) P-C4' energy: -12.725 flat angles C4'-P-C4' energy: -9.748 flat angles P-C4'-P energy: -9.201 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: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -83.356996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.356996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.356996 (E_RNA) where: Base-Base interactions energy: -44.664 where: short stacking energy: -34.291 Base-Backbone interact. energy: 0.009 local terms energy: -38.701651 where: bonds (distance) C4'-P energy: -12.257 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -10.138 tors. eta vs tors. theta energy: -3.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -80.655505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.655505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.655505 (E_RNA) where: Base-Base interactions energy: -38.676 where: short stacking energy: -26.077 Base-Backbone interact. energy: -0.346 local terms energy: -41.634067 where: bonds (distance) C4'-P energy: -11.981 bonds (distance) P-C4' energy: -9.367 flat angles C4'-P-C4' energy: -7.207 flat angles P-C4'-P energy: -9.996 tors. eta vs tors. theta energy: -3.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -163.000284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.000284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.000284 (E_RNA) where: Base-Base interactions energy: -101.901 where: short stacking energy: -62.424 Base-Backbone interact. energy: -0.098 local terms energy: -61.000882 where: bonds (distance) C4'-P energy: -12.392 bonds (distance) P-C4' energy: -11.994 flat angles C4'-P-C4' energy: -12.956 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: -15.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -144.227910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.227910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.227910 (E_RNA) where: Base-Base interactions energy: -83.617 where: short stacking energy: -46.867 Base-Backbone interact. energy: -0.007 local terms energy: -60.603719 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -12.557 flat angles C4'-P-C4' energy: -13.237 flat angles P-C4'-P energy: -10.362 tors. eta vs tors. theta energy: -9.501 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: 6 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -145.974253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.974253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.974253 (E_RNA) where: Base-Base interactions energy: -85.116 where: short stacking energy: -55.971 Base-Backbone interact. energy: -0.008 local terms energy: -60.849899 where: bonds (distance) C4'-P energy: -11.722 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -12.064 flat angles P-C4'-P energy: -10.321 tors. eta vs tors. theta energy: -13.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -147.114968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.114968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.114968 (E_RNA) where: Base-Base interactions energy: -92.907 where: short stacking energy: -48.983 Base-Backbone interact. energy: -0.005 local terms energy: -54.203352 where: bonds (distance) C4'-P energy: -11.291 bonds (distance) P-C4' energy: -11.738 flat angles C4'-P-C4' energy: -12.469 flat angles P-C4'-P energy: -6.254 tors. eta vs tors. theta energy: -12.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -136.409154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.409154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.409154 (E_RNA) where: Base-Base interactions energy: -76.670 where: short stacking energy: -48.746 Base-Backbone interact. energy: -0.612 local terms energy: -59.126893 where: bonds (distance) C4'-P energy: -14.548 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -12.944 flat angles P-C4'-P energy: -8.517 tors. eta vs tors. theta energy: -10.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -89.937941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.937941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.937941 (E_RNA) where: Base-Base interactions energy: -42.284 where: short stacking energy: -42.284 Base-Backbone interact. energy: -0.068 local terms energy: -47.585170 where: bonds (distance) C4'-P energy: -11.693 bonds (distance) P-C4' energy: -12.087 flat angles C4'-P-C4' energy: -13.311 flat angles P-C4'-P energy: -7.289 tors. eta vs tors. theta energy: -3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -96.810114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.810114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.810114 (E_RNA) where: Base-Base interactions energy: -42.239 where: short stacking energy: -39.898 Base-Backbone interact. energy: -0.562 local terms energy: -54.009083 where: bonds (distance) C4'-P energy: -11.228 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -9.698 flat angles P-C4'-P energy: -10.110 tors. eta vs tors. theta energy: -9.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -75.522710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.522710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.522710 (E_RNA) where: Base-Base interactions energy: -35.178 where: short stacking energy: -35.178 Base-Backbone interact. energy: -0.112 local terms energy: -40.232582 where: bonds (distance) C4'-P energy: -13.722 bonds (distance) P-C4' energy: -12.726 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -7.202 tors. eta vs tors. theta energy: -0.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -82.211651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.211651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.211651 (E_RNA) where: Base-Base interactions energy: -33.885 where: short stacking energy: -31.954 Base-Backbone interact. energy: -0.056 local terms energy: -48.271510 where: bonds (distance) C4'-P energy: -12.728 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -9.380 flat angles P-C4'-P energy: -8.759 tors. eta vs tors. theta energy: -4.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -73.955941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.955941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.955941 (E_RNA) where: Base-Base interactions energy: -29.930 where: short stacking energy: -28.855 Base-Backbone interact. energy: -0.249 local terms energy: -43.776602 where: bonds (distance) C4'-P energy: -8.824 bonds (distance) P-C4' energy: -10.497 flat angles C4'-P-C4' energy: -12.275 flat angles P-C4'-P energy: -8.129 tors. eta vs tors. theta energy: -4.052 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: 2 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -170.411663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.411663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.411663 (E_RNA) where: Base-Base interactions energy: -105.589 where: short stacking energy: -66.634 Base-Backbone interact. energy: -0.001 local terms energy: -64.821484 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -10.914 flat angles P-C4'-P energy: -11.604 tors. eta vs tors. theta energy: -16.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -159.183058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.183058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.183058 (E_RNA) where: Base-Base interactions energy: -96.947 where: short stacking energy: -58.534 Base-Backbone interact. energy: -0.003 local terms energy: -62.233014 where: bonds (distance) C4'-P energy: -9.023 bonds (distance) P-C4' energy: -14.508 flat angles C4'-P-C4' energy: -16.034 flat angles P-C4'-P energy: -8.908 tors. eta vs tors. theta energy: -13.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -146.078276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.078276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.078276 (E_RNA) where: Base-Base interactions energy: -84.700 where: short stacking energy: -53.716 Base-Backbone interact. energy: -0.072 local terms energy: -61.306599 where: bonds (distance) C4'-P energy: -12.744 bonds (distance) P-C4' energy: -15.237 flat angles C4'-P-C4' energy: -13.803 flat angles P-C4'-P energy: -7.410 tors. eta vs tors. theta energy: -12.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -131.195919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.195919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.195919 (E_RNA) where: Base-Base interactions energy: -78.153 where: short stacking energy: -53.821 Base-Backbone interact. energy: -0.053 local terms energy: -52.990851 where: bonds (distance) C4'-P energy: -7.482 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -12.743 flat angles P-C4'-P energy: -11.476 tors. eta vs tors. theta energy: -6.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -141.064240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.064240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.064240 (E_RNA) where: Base-Base interactions energy: -85.919 where: short stacking energy: -53.964 Base-Backbone interact. energy: -1.502 local terms energy: -53.643642 where: bonds (distance) C4'-P energy: -9.432 bonds (distance) P-C4' energy: -11.517 flat angles C4'-P-C4' energy: -14.448 flat angles P-C4'-P energy: -7.960 tors. eta vs tors. theta energy: -10.287 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: 10 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -105.517761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.517761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.517761 (E_RNA) where: Base-Base interactions energy: -50.607 where: short stacking energy: -50.607 Base-Backbone interact. energy: -0.042 local terms energy: -54.868519 where: bonds (distance) C4'-P energy: -12.057 bonds (distance) P-C4' energy: -10.850 flat angles C4'-P-C4' energy: -13.587 flat angles P-C4'-P energy: -10.225 tors. eta vs tors. theta energy: -8.149 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: 9 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -82.006000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.006000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.006000 (E_RNA) where: Base-Base interactions energy: -34.743 where: short stacking energy: -27.930 Base-Backbone interact. energy: -0.431 local terms energy: -46.831613 where: bonds (distance) C4'-P energy: -14.396 bonds (distance) P-C4' energy: -13.841 flat angles C4'-P-C4' energy: -9.187 flat angles P-C4'-P energy: -9.792 tors. eta vs tors. theta energy: 0.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -87.489584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.489584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.489584 (E_RNA) where: Base-Base interactions energy: -30.947 where: short stacking energy: -30.947 Base-Backbone interact. energy: -0.176 local terms energy: -56.366741 where: bonds (distance) C4'-P energy: -13.837 bonds (distance) P-C4' energy: -15.744 flat angles C4'-P-C4' energy: -15.089 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -6.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -71.974587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.974587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.974587 (E_RNA) where: Base-Base interactions energy: -29.999 where: short stacking energy: -25.278 Base-Backbone interact. energy: -0.292 local terms energy: -41.684100 where: bonds (distance) C4'-P energy: -10.506 bonds (distance) P-C4' energy: -13.498 flat angles C4'-P-C4' energy: -10.448 flat angles P-C4'-P energy: -5.547 tors. eta vs tors. theta energy: -1.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -74.902962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.902962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.902962 (E_RNA) where: Base-Base interactions energy: -26.608 where: short stacking energy: -22.973 Base-Backbone interact. energy: -0.038 local terms energy: -48.257536 where: bonds (distance) C4'-P energy: -7.902 bonds (distance) P-C4' energy: -15.703 flat angles C4'-P-C4' energy: -9.640 flat angles P-C4'-P energy: -7.914 tors. eta vs tors. theta energy: -7.098 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: 2 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -170.286619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.286619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.286619 (E_RNA) where: Base-Base interactions energy: -103.880 where: short stacking energy: -67.770 Base-Backbone interact. energy: -0.002 local terms energy: -66.404183 where: bonds (distance) C4'-P energy: -11.445 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -9.950 flat angles P-C4'-P energy: -12.503 tors. eta vs tors. theta energy: -19.437 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: 1 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -157.487036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.487036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.487036 (E_RNA) where: Base-Base interactions energy: -94.618 where: short stacking energy: -62.902 Base-Backbone interact. energy: -0.000 local terms energy: -62.869184 where: bonds (distance) C4'-P energy: -13.156 bonds (distance) P-C4' energy: -11.285 flat angles C4'-P-C4' energy: -13.137 flat angles P-C4'-P energy: -8.023 tors. eta vs tors. theta energy: -17.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -170.578377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.578377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.578377 (E_RNA) where: Base-Base interactions energy: -100.844 where: short stacking energy: -65.750 Base-Backbone interact. energy: -0.000 local terms energy: -69.734237 where: bonds (distance) C4'-P energy: -13.738 bonds (distance) P-C4' energy: -14.793 flat angles C4'-P-C4' energy: -13.757 flat angles P-C4'-P energy: -9.860 tors. eta vs tors. theta energy: -17.587 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: 4 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -149.315042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.315042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.315042 (E_RNA) where: Base-Base interactions energy: -86.379 where: short stacking energy: -60.919 Base-Backbone interact. energy: -0.632 local terms energy: -62.303823 where: bonds (distance) C4'-P energy: -10.852 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -16.319 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -15.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -123.331691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.331691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.331691 (E_RNA) where: Base-Base interactions energy: -72.909 where: short stacking energy: -41.757 Base-Backbone interact. energy: 0.041 local terms energy: -50.463508 where: bonds (distance) C4'-P energy: -8.377 bonds (distance) P-C4' energy: -12.246 flat angles C4'-P-C4' energy: -11.670 flat angles P-C4'-P energy: -9.420 tors. eta vs tors. theta energy: -8.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -102.093869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.093869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.093869 (E_RNA) where: Base-Base interactions energy: -48.448 where: short stacking energy: -44.539 Base-Backbone interact. energy: -0.524 local terms energy: -53.122356 where: bonds (distance) C4'-P energy: -14.707 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -10.420 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: -10.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -76.250906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.250906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.250906 (E_RNA) where: Base-Base interactions energy: -34.117 where: short stacking energy: -32.351 Base-Backbone interact. energy: -0.102 local terms energy: -42.031411 where: bonds (distance) C4'-P energy: -7.313 bonds (distance) P-C4' energy: -12.572 flat angles C4'-P-C4' energy: -9.811 flat angles P-C4'-P energy: -8.678 tors. eta vs tors. theta energy: -3.656 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: 7 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -81.608202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.608202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.608202 (E_RNA) where: Base-Base interactions energy: -38.631 where: short stacking energy: -34.542 Base-Backbone interact. energy: -0.441 local terms energy: -42.536450 where: bonds (distance) C4'-P energy: -9.030 bonds (distance) P-C4' energy: -13.761 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -6.066 tors. eta vs tors. theta energy: -7.099 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: 179 Temperature: 1.300000 Total energy: -76.785645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.785645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.785645 (E_RNA) where: Base-Base interactions energy: -35.460 where: short stacking energy: -32.144 Base-Backbone interact. energy: -0.979 local terms energy: -40.346606 where: bonds (distance) C4'-P energy: -10.819 bonds (distance) P-C4' energy: -13.448 flat angles C4'-P-C4' energy: -11.554 flat angles P-C4'-P energy: -2.289 tors. eta vs tors. theta energy: -2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -76.370793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.370793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.370793 (E_RNA) where: Base-Base interactions energy: -30.298 where: short stacking energy: -29.540 Base-Backbone interact. energy: -0.229 local terms energy: -45.844101 where: bonds (distance) C4'-P energy: -8.228 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -11.728 flat angles P-C4'-P energy: -8.885 tors. eta vs tors. theta energy: -3.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -166.890780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.890780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.890780 (E_RNA) where: Base-Base interactions energy: -102.983 where: short stacking energy: -66.621 Base-Backbone interact. energy: -1.082 local terms energy: -62.825680 where: bonds (distance) C4'-P energy: -12.376 bonds (distance) P-C4' energy: -15.154 flat angles C4'-P-C4' energy: -14.081 flat angles P-C4'-P energy: -4.128 tors. eta vs tors. theta energy: -17.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -163.377780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.377780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.377780 (E_RNA) where: Base-Base interactions energy: -98.769 where: short stacking energy: -65.562 Base-Backbone interact. energy: 0.369 local terms energy: -64.977966 where: bonds (distance) C4'-P energy: -14.040 bonds (distance) P-C4' energy: -14.269 flat angles C4'-P-C4' energy: -11.644 flat angles P-C4'-P energy: -10.549 tors. eta vs tors. theta energy: -14.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -155.041261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.041261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.041261 (E_RNA) where: Base-Base interactions energy: -91.235 where: short stacking energy: -61.108 Base-Backbone interact. energy: -0.000 local terms energy: -63.805397 where: bonds (distance) C4'-P energy: -11.792 bonds (distance) P-C4' energy: -15.424 flat angles C4'-P-C4' energy: -11.586 flat angles P-C4'-P energy: -9.437 tors. eta vs tors. theta energy: -15.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -149.988844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.988844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.988844 (E_RNA) where: Base-Base interactions energy: -92.969 where: short stacking energy: -59.058 Base-Backbone interact. energy: -0.015 local terms energy: -57.004293 where: bonds (distance) C4'-P energy: -8.756 bonds (distance) P-C4' energy: -14.847 flat angles C4'-P-C4' energy: -12.413 flat angles P-C4'-P energy: -6.103 tors. eta vs tors. theta energy: -14.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -91.570817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.570817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.570817 (E_RNA) where: Base-Base interactions energy: -40.710 where: short stacking energy: -31.325 Base-Backbone interact. energy: -0.178 local terms energy: -50.682057 where: bonds (distance) C4'-P energy: -14.272 bonds (distance) P-C4' energy: -13.679 flat angles C4'-P-C4' energy: -12.631 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -3.837 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: 6, replica: 6 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -133.697489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.697489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.697489 (E_RNA) where: Base-Base interactions energy: -80.511 where: short stacking energy: -58.827 Base-Backbone interact. energy: -0.007 local terms energy: -53.179292 where: bonds (distance) C4'-P energy: -11.212 bonds (distance) P-C4' energy: -14.476 flat angles C4'-P-C4' energy: -11.772 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -12.218 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: 7 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -92.918866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.918866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.918866 (E_RNA) where: Base-Base interactions energy: -42.389 where: short stacking energy: -42.389 Base-Backbone interact. energy: -0.002 local terms energy: -50.527921 where: bonds (distance) C4'-P energy: -13.029 bonds (distance) P-C4' energy: -11.756 flat angles C4'-P-C4' energy: -13.286 flat angles P-C4'-P energy: -7.425 tors. eta vs tors. theta energy: -5.032 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: 9 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -87.926975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.926975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.926975 (E_RNA) where: Base-Base interactions energy: -37.834 where: short stacking energy: -37.834 Base-Backbone interact. energy: -0.026 local terms energy: -50.067672 where: bonds (distance) C4'-P energy: -11.350 bonds (distance) P-C4' energy: -14.504 flat angles C4'-P-C4' energy: -11.573 flat angles P-C4'-P energy: -9.717 tors. eta vs tors. theta energy: -2.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -79.486702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.486702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.486702 (E_RNA) where: Base-Base interactions energy: -33.546 where: short stacking energy: -33.546 Base-Backbone interact. energy: -0.062 local terms energy: -45.878978 where: bonds (distance) C4'-P energy: -12.160 bonds (distance) P-C4' energy: -11.281 flat angles C4'-P-C4' energy: -8.820 flat angles P-C4'-P energy: -8.123 tors. eta vs tors. theta energy: -5.495 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: 3 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -74.850226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.850226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.850226 (E_RNA) where: Base-Base interactions energy: -25.310 where: short stacking energy: -24.216 Base-Backbone interact. energy: -0.076 local terms energy: -49.464061 where: bonds (distance) C4'-P energy: -11.901 bonds (distance) P-C4' energy: -12.180 flat angles C4'-P-C4' energy: -10.917 flat angles P-C4'-P energy: -11.206 tors. eta vs tors. theta energy: -3.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -159.060202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.060202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.060202 (E_RNA) where: Base-Base interactions energy: -98.516 where: short stacking energy: -62.559 Base-Backbone interact. energy: -0.001 local terms energy: -60.542726 where: bonds (distance) C4'-P energy: -9.830 bonds (distance) P-C4' energy: -12.212 flat angles C4'-P-C4' energy: -14.059 flat angles P-C4'-P energy: -7.990 tors. eta vs tors. theta energy: -16.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -151.143244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.143244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.143244 (E_RNA) where: Base-Base interactions energy: -91.486 where: short stacking energy: -59.285 Base-Backbone interact. energy: -0.002 local terms energy: -59.654902 where: bonds (distance) C4'-P energy: -8.928 bonds (distance) P-C4' energy: -14.922 flat angles C4'-P-C4' energy: -14.297 flat angles P-C4'-P energy: -8.886 tors. eta vs tors. theta energy: -12.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -144.749868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.749868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.749868 (E_RNA) where: Base-Base interactions energy: -86.691 where: short stacking energy: -53.998 Base-Backbone interact. energy: -0.004 local terms energy: -58.054865 where: bonds (distance) C4'-P energy: -12.224 bonds (distance) P-C4' energy: -13.486 flat angles C4'-P-C4' energy: -14.153 flat angles P-C4'-P energy: -6.278 tors. eta vs tors. theta energy: -11.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -94.316033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.316033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.316033 (E_RNA) where: Base-Base interactions energy: -49.740 where: short stacking energy: -49.740 Base-Backbone interact. energy: -0.097 local terms energy: -44.478998 where: bonds (distance) C4'-P energy: -11.358 bonds (distance) P-C4' energy: -8.384 flat angles C4'-P-C4' energy: -11.169 flat angles P-C4'-P energy: -9.962 tors. eta vs tors. theta energy: -3.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -126.317521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.317521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.317521 (E_RNA) where: Base-Base interactions energy: -70.074 where: short stacking energy: -49.358 Base-Backbone interact. energy: -0.027 local terms energy: -56.216128 where: bonds (distance) C4'-P energy: -7.984 bonds (distance) P-C4' energy: -14.783 flat angles C4'-P-C4' energy: -13.745 flat angles P-C4'-P energy: -8.900 tors. eta vs tors. theta energy: -10.805 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: 6 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -121.393183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.393183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.393183 (E_RNA) where: Base-Base interactions energy: -69.959 where: short stacking energy: -41.035 Base-Backbone interact. energy: -0.104 local terms energy: -51.330135 where: bonds (distance) C4'-P energy: -11.408 bonds (distance) P-C4' energy: -11.361 flat angles C4'-P-C4' energy: -12.944 flat angles P-C4'-P energy: -8.426 tors. eta vs tors. theta energy: -7.191 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: 7, replica: 7 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -96.317136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.317136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.317136 (E_RNA) where: Base-Base interactions energy: -50.626 where: short stacking energy: -44.612 Base-Backbone interact. energy: -0.084 local terms energy: -45.607463 where: bonds (distance) C4'-P energy: -12.951 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -13.952 flat angles P-C4'-P energy: -5.996 tors. eta vs tors. theta energy: -5.125 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: 8, replica: 9 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -91.140731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.140731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.140731 (E_RNA) where: Base-Base interactions energy: -42.495 where: short stacking energy: -42.495 Base-Backbone interact. energy: -0.067 local terms energy: -48.578333 where: bonds (distance) C4'-P energy: -9.051 bonds (distance) P-C4' energy: -11.120 flat angles C4'-P-C4' energy: -11.341 flat angles P-C4'-P energy: -7.104 tors. eta vs tors. theta energy: -9.962 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: 8 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -76.212329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.212329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.212329 (E_RNA) where: Base-Base interactions energy: -34.085 where: short stacking energy: -28.712 Base-Backbone interact. energy: -0.080 local terms energy: -42.047288 where: bonds (distance) C4'-P energy: -10.738 bonds (distance) P-C4' energy: -12.514 flat angles C4'-P-C4' energy: -11.692 flat angles P-C4'-P energy: -6.238 tors. eta vs tors. theta energy: -0.866 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: 3 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -82.172640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.172640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.172640 (E_RNA) where: Base-Base interactions energy: -31.430 where: short stacking energy: -31.430 Base-Backbone interact. energy: -0.000 local terms energy: -50.742701 where: bonds (distance) C4'-P energy: -12.276 bonds (distance) P-C4' energy: -11.490 flat angles C4'-P-C4' energy: -13.690 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: -7.553 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: 2 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -170.642183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.642183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.642183 (E_RNA) where: Base-Base interactions energy: -102.872 where: short stacking energy: -67.332 Base-Backbone interact. energy: -0.005 local terms energy: -67.765581 where: bonds (distance) C4'-P energy: -12.145 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -15.086 flat angles P-C4'-P energy: -11.110 tors. eta vs tors. theta energy: -14.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -165.084305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.084305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.084305 (E_RNA) where: Base-Base interactions energy: -95.430 where: short stacking energy: -63.633 Base-Backbone interact. energy: -0.001 local terms energy: -69.653999 where: bonds (distance) C4'-P energy: -11.365 bonds (distance) P-C4' energy: -14.539 flat angles C4'-P-C4' energy: -14.413 flat angles P-C4'-P energy: -10.002 tors. eta vs tors. theta energy: -19.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -111.077062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.077062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.077062 (E_RNA) where: Base-Base interactions energy: -55.006 where: short stacking energy: -49.718 Base-Backbone interact. energy: -0.724 local terms energy: -55.347459 where: bonds (distance) C4'-P energy: -14.264 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -13.018 flat angles P-C4'-P energy: -6.631 tors. eta vs tors. theta energy: -6.578 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: 182 Temperature: 1.050000 Total energy: -132.159548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.159548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.159548 (E_RNA) where: Base-Base interactions energy: -80.585 where: short stacking energy: -48.705 Base-Backbone interact. energy: -0.009 local terms energy: -51.565681 where: bonds (distance) C4'-P energy: -10.377 bonds (distance) P-C4' energy: -13.099 flat angles C4'-P-C4' energy: -8.601 flat angles P-C4'-P energy: -9.728 tors. eta vs tors. theta energy: -9.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -111.957587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.957587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.957587 (E_RNA) where: Base-Base interactions energy: -63.277 where: short stacking energy: -50.261 Base-Backbone interact. energy: -0.029 local terms energy: -48.650816 where: bonds (distance) C4'-P energy: -15.109 bonds (distance) P-C4' energy: -6.338 flat angles C4'-P-C4' energy: -11.077 flat angles P-C4'-P energy: -5.159 tors. eta vs tors. theta energy: -10.968 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: 4 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -127.433492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.433492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.433492 (E_RNA) where: Base-Base interactions energy: -75.357 where: short stacking energy: -46.122 Base-Backbone interact. energy: 0.116 local terms energy: -52.192450 where: bonds (distance) C4'-P energy: -13.312 bonds (distance) P-C4' energy: -12.097 flat angles C4'-P-C4' energy: -11.353 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -7.189 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: 182 Temperature: 1.200000 Total energy: -92.137374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.137374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.137374 (E_RNA) where: Base-Base interactions energy: -50.055 where: short stacking energy: -47.257 Base-Backbone interact. energy: -0.037 local terms energy: -42.045185 where: bonds (distance) C4'-P energy: -6.293 bonds (distance) P-C4' energy: -9.837 flat angles C4'-P-C4' energy: -14.701 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -6.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -86.880244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.880244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.880244 (E_RNA) where: Base-Base interactions energy: -35.272 where: short stacking energy: -33.271 Base-Backbone interact. energy: -0.397 local terms energy: -51.210913 where: bonds (distance) C4'-P energy: -11.419 bonds (distance) P-C4' energy: -13.866 flat angles C4'-P-C4' energy: -9.368 flat angles P-C4'-P energy: -10.784 tors. eta vs tors. theta energy: -5.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -76.811607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.811607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.811607 (E_RNA) where: Base-Base interactions energy: -35.826 where: short stacking energy: -28.571 Base-Backbone interact. energy: -0.228 local terms energy: -40.757336 where: bonds (distance) C4'-P energy: -10.260 bonds (distance) P-C4' energy: -11.602 flat angles C4'-P-C4' energy: -9.965 flat angles P-C4'-P energy: -10.523 tors. eta vs tors. theta energy: 1.592 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: 182 Temperature: 1.350000 Total energy: -71.020859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.020859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.020859 (E_RNA) where: Base-Base interactions energy: -29.186 where: short stacking energy: -29.186 Base-Backbone interact. energy: -0.032 local terms energy: -41.803046 where: bonds (distance) C4'-P energy: -12.648 bonds (distance) P-C4' energy: -11.428 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -6.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -171.616835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.616835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.616835 (E_RNA) where: Base-Base interactions energy: -102.198 where: short stacking energy: -67.808 Base-Backbone interact. energy: -0.000 local terms energy: -69.418933 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -12.514 flat angles P-C4'-P energy: -9.700 tors. eta vs tors. theta energy: -19.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -132.026483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.026483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.026483 (E_RNA) where: Base-Base interactions energy: -64.805 where: short stacking energy: -64.805 Base-Backbone interact. energy: -0.000 local terms energy: -67.221790 where: bonds (distance) C4'-P energy: -12.116 bonds (distance) P-C4' energy: -15.706 flat angles C4'-P-C4' energy: -11.053 flat angles P-C4'-P energy: -9.157 tors. eta vs tors. theta energy: -19.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -163.585906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.585906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.585906 (E_RNA) where: Base-Base interactions energy: -101.425 where: short stacking energy: -63.021 Base-Backbone interact. energy: -0.672 local terms energy: -61.488978 where: bonds (distance) C4'-P energy: -7.508 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -14.436 flat angles P-C4'-P energy: -9.372 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: 4, replica: 5 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -144.795681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.795681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.795681 (E_RNA) where: Base-Base interactions energy: -84.430 where: short stacking energy: -56.622 Base-Backbone interact. energy: -0.382 local terms energy: -59.983118 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -13.597 flat angles C4'-P-C4' energy: -14.625 flat angles P-C4'-P energy: -8.702 tors. eta vs tors. theta energy: -10.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -103.149567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.149567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.149567 (E_RNA) where: Base-Base interactions energy: -47.087 where: short stacking energy: -47.087 Base-Backbone interact. energy: -0.017 local terms energy: -56.045681 where: bonds (distance) C4'-P energy: -13.854 bonds (distance) P-C4' energy: -10.962 flat angles C4'-P-C4' energy: -13.146 flat angles P-C4'-P energy: -9.614 tors. eta vs tors. theta energy: -8.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -136.249664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.249664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.249664 (E_RNA) where: Base-Base interactions energy: -84.017 where: short stacking energy: -52.029 Base-Backbone interact. energy: -0.010 local terms energy: -52.221860 where: bonds (distance) C4'-P energy: -11.871 bonds (distance) P-C4' energy: -11.150 flat angles C4'-P-C4' energy: -13.958 flat angles P-C4'-P energy: -7.159 tors. eta vs tors. theta energy: -8.084 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: 7, replica: 9 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -79.880714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.880714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.880714 (E_RNA) where: Base-Base interactions energy: -35.610 where: short stacking energy: -35.114 Base-Backbone interact. energy: -0.183 local terms energy: -44.088648 where: bonds (distance) C4'-P energy: -9.254 bonds (distance) P-C4' energy: -14.044 flat angles C4'-P-C4' energy: -9.668 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -8.113 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: 7 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -91.249070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.249070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.249070 (E_RNA) where: Base-Base interactions energy: -39.553 where: short stacking energy: -39.129 Base-Backbone interact. energy: -0.056 local terms energy: -51.639851 where: bonds (distance) C4'-P energy: -12.326 bonds (distance) P-C4' energy: -12.173 flat angles C4'-P-C4' energy: -9.637 flat angles P-C4'-P energy: -10.990 tors. eta vs tors. theta energy: -6.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -79.456099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.456099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.456099 (E_RNA) where: Base-Base interactions energy: -34.734 where: short stacking energy: -31.193 Base-Backbone interact. energy: -0.257 local terms energy: -44.465514 where: bonds (distance) C4'-P energy: -12.564 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -11.950 flat angles P-C4'-P energy: -6.382 tors. eta vs tors. theta energy: -1.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -73.622638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.622638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.622638 (E_RNA) where: Base-Base interactions energy: -32.147 where: short stacking energy: -32.063 Base-Backbone interact. energy: -0.100 local terms energy: -41.375151 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -11.162 flat angles P-C4'-P energy: -8.731 tors. eta vs tors. theta energy: -5.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -173.175700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.175700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.175700 (E_RNA) where: Base-Base interactions energy: -107.991 where: short stacking energy: -68.019 Base-Backbone interact. energy: -0.003 local terms energy: -65.181833 where: bonds (distance) C4'-P energy: -12.040 bonds (distance) P-C4' energy: -11.411 flat angles C4'-P-C4' energy: -14.558 flat angles P-C4'-P energy: -11.143 tors. eta vs tors. theta energy: -16.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -137.076489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.076489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.076489 (E_RNA) where: Base-Base interactions energy: -64.443 where: short stacking energy: -64.443 Base-Backbone interact. energy: 0.468 local terms energy: -73.101154 where: bonds (distance) C4'-P energy: -13.936 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -14.409 flat angles P-C4'-P energy: -9.641 tors. eta vs tors. theta energy: -20.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -140.177000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.177000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.177000 (E_RNA) where: Base-Base interactions energy: -85.719 where: short stacking energy: -53.923 Base-Backbone interact. energy: -0.052 local terms energy: -54.406676 where: bonds (distance) C4'-P energy: -15.373 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -13.978 flat angles P-C4'-P energy: -7.404 tors. eta vs tors. theta energy: -4.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -127.666798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.666798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.666798 (E_RNA) where: Base-Base interactions energy: -77.849 where: short stacking energy: -44.850 Base-Backbone interact. energy: -0.544 local terms energy: -49.274283 where: bonds (distance) C4'-P energy: -10.135 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -13.124 flat angles P-C4'-P energy: -4.318 tors. eta vs tors. theta energy: -7.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -125.355182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.355182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.355182 (E_RNA) where: Base-Base interactions energy: -76.997 where: short stacking energy: -51.840 Base-Backbone interact. energy: -0.111 local terms energy: -48.246761 where: bonds (distance) C4'-P energy: -10.040 bonds (distance) P-C4' energy: -13.207 flat angles C4'-P-C4' energy: -10.569 flat angles P-C4'-P energy: -7.045 tors. eta vs tors. theta energy: -7.384 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: 6 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -98.510765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.510765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.510765 (E_RNA) where: Base-Base interactions energy: -41.053 where: short stacking energy: -41.053 Base-Backbone interact. energy: -0.098 local terms energy: -57.359830 where: bonds (distance) C4'-P energy: -12.057 bonds (distance) P-C4' energy: -14.428 flat angles C4'-P-C4' energy: -8.804 flat angles P-C4'-P energy: -10.513 tors. eta vs tors. theta energy: -11.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -88.363712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.363712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.363712 (E_RNA) where: Base-Base interactions energy: -36.544 where: short stacking energy: -34.762 Base-Backbone interact. energy: -0.178 local terms energy: -51.641652 where: bonds (distance) C4'-P energy: -12.185 bonds (distance) P-C4' energy: -15.774 flat angles C4'-P-C4' energy: -10.994 flat angles P-C4'-P energy: -7.536 tors. eta vs tors. theta energy: -5.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -83.811509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.811509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.811509 (E_RNA) where: Base-Base interactions energy: -33.137 where: short stacking energy: -33.137 Base-Backbone interact. energy: 0.547 local terms energy: -51.221693 where: bonds (distance) C4'-P energy: -9.246 bonds (distance) P-C4' energy: -13.781 flat angles C4'-P-C4' energy: -12.382 flat angles P-C4'-P energy: -11.287 tors. eta vs tors. theta energy: -4.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -89.552662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.552662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.552662 (E_RNA) where: Base-Base interactions energy: -43.818 where: short stacking energy: -43.818 Base-Backbone interact. energy: -0.197 local terms energy: -45.537575 where: bonds (distance) C4'-P energy: -10.836 bonds (distance) P-C4' energy: -14.793 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -8.782 tors. eta vs tors. theta energy: -6.544 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: 8 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -67.915004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.915004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.915004 (E_RNA) where: Base-Base interactions energy: -22.800 where: short stacking energy: -22.457 Base-Backbone interact. energy: -0.201 local terms energy: -44.914209 where: bonds (distance) C4'-P energy: -8.903 bonds (distance) P-C4' energy: -13.630 flat angles C4'-P-C4' energy: -11.839 flat angles P-C4'-P energy: -9.633 tors. eta vs tors. theta energy: -0.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -168.971993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.971993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.971993 (E_RNA) where: Base-Base interactions energy: -102.215 where: short stacking energy: -69.780 Base-Backbone interact. energy: -0.001 local terms energy: -66.755864 where: bonds (distance) C4'-P energy: -12.646 bonds (distance) P-C4' energy: -13.452 flat angles C4'-P-C4' energy: -14.728 flat angles P-C4'-P energy: -10.055 tors. eta vs tors. theta energy: -15.875 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: 1 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -145.114953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.114953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.114953 (E_RNA) where: Base-Base interactions energy: -88.775 where: short stacking energy: -52.277 Base-Backbone interact. energy: -0.274 local terms energy: -56.066713 where: bonds (distance) C4'-P energy: -13.265 bonds (distance) P-C4' energy: -12.519 flat angles C4'-P-C4' energy: -13.641 flat angles P-C4'-P energy: -8.504 tors. eta vs tors. theta energy: -8.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -123.474214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.474214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.474214 (E_RNA) where: Base-Base interactions energy: -60.658 where: short stacking energy: -56.010 Base-Backbone interact. energy: -0.000 local terms energy: -62.816452 where: bonds (distance) C4'-P energy: -12.862 bonds (distance) P-C4' energy: -12.726 flat angles C4'-P-C4' energy: -13.238 flat angles P-C4'-P energy: -8.164 tors. eta vs tors. theta energy: -15.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -136.282429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.282429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.282429 (E_RNA) where: Base-Base interactions energy: -84.357 where: short stacking energy: -46.025 Base-Backbone interact. energy: -0.097 local terms energy: -51.828506 where: bonds (distance) C4'-P energy: -11.688 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -13.305 flat angles P-C4'-P energy: -1.841 tors. eta vs tors. theta energy: -11.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -127.889618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.889618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.889618 (E_RNA) where: Base-Base interactions energy: -77.063 where: short stacking energy: -44.964 Base-Backbone interact. energy: -0.001 local terms energy: -50.825964 where: bonds (distance) C4'-P energy: -11.597 bonds (distance) P-C4' energy: -9.446 flat angles C4'-P-C4' energy: -11.491 flat angles P-C4'-P energy: -6.412 tors. eta vs tors. theta energy: -11.880 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: 7 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -105.442733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.442733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.442733 (E_RNA) where: Base-Base interactions energy: -49.045 where: short stacking energy: -49.045 Base-Backbone interact. energy: -0.000 local terms energy: -56.397680 where: bonds (distance) C4'-P energy: -15.195 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -8.272 tors. eta vs tors. theta energy: -11.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -83.526141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.526141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.526141 (E_RNA) where: Base-Base interactions energy: -34.589 where: short stacking energy: -27.597 Base-Backbone interact. energy: -1.405 local terms energy: -47.532183 where: bonds (distance) C4'-P energy: -10.115 bonds (distance) P-C4' energy: -11.472 flat angles C4'-P-C4' energy: -12.253 flat angles P-C4'-P energy: -11.032 tors. eta vs tors. theta energy: -2.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -93.563702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.563702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.563702 (E_RNA) where: Base-Base interactions energy: -49.580 where: short stacking energy: -34.684 Base-Backbone interact. energy: -0.072 local terms energy: -43.911167 where: bonds (distance) C4'-P energy: -9.436 bonds (distance) P-C4' energy: -9.900 flat angles C4'-P-C4' energy: -11.860 flat angles P-C4'-P energy: -9.134 tors. eta vs tors. theta energy: -3.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -76.417019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.417019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.417019 (E_RNA) where: Base-Base interactions energy: -33.849 where: short stacking energy: -30.715 Base-Backbone interact. energy: -0.052 local terms energy: -42.515267 where: bonds (distance) C4'-P energy: -5.979 bonds (distance) P-C4' energy: -14.308 flat angles C4'-P-C4' energy: -9.452 flat angles P-C4'-P energy: -8.762 tors. eta vs tors. theta energy: -4.015 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: 10, replica: 8 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -66.813784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.813784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.813784 (E_RNA) where: Base-Base interactions energy: -31.053 where: short stacking energy: -21.829 Base-Backbone interact. energy: -0.260 local terms energy: -35.501299 where: bonds (distance) C4'-P energy: -9.878 bonds (distance) P-C4' energy: -9.452 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -7.735 tors. eta vs tors. theta energy: -3.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -158.891180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.891180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.891180 (E_RNA) where: Base-Base interactions energy: -94.386 where: short stacking energy: -65.347 Base-Backbone interact. energy: 1.266 local terms energy: -65.771797 where: bonds (distance) C4'-P energy: -12.737 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -13.293 flat angles P-C4'-P energy: -11.736 tors. eta vs tors. theta energy: -14.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -152.680931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.680931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.680931 (E_RNA) where: Base-Base interactions energy: -93.698 where: short stacking energy: -56.203 Base-Backbone interact. energy: -0.048 local terms energy: -58.935255 where: bonds (distance) C4'-P energy: -12.398 bonds (distance) P-C4' energy: -14.917 flat angles C4'-P-C4' energy: -9.929 flat angles P-C4'-P energy: -9.618 tors. eta vs tors. theta energy: -12.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -145.632016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.632016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.632016 (E_RNA) where: Base-Base interactions energy: -86.948 where: short stacking energy: -56.516 Base-Backbone interact. energy: 0.227 local terms energy: -58.910857 where: bonds (distance) C4'-P energy: -11.723 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -11.634 flat angles P-C4'-P energy: -7.887 tors. eta vs tors. theta energy: -14.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -113.051700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.051700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.051700 (E_RNA) where: Base-Base interactions energy: -65.760 where: short stacking energy: -45.194 Base-Backbone interact. energy: -0.019 local terms energy: -47.272887 where: bonds (distance) C4'-P energy: -10.064 bonds (distance) P-C4' energy: -8.509 flat angles C4'-P-C4' energy: -14.303 flat angles P-C4'-P energy: -5.923 tors. eta vs tors. theta energy: -8.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -128.332756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.332756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.332756 (E_RNA) where: Base-Base interactions energy: -69.157 where: short stacking energy: -41.257 Base-Backbone interact. energy: -0.315 local terms energy: -58.860887 where: bonds (distance) C4'-P energy: -13.644 bonds (distance) P-C4' energy: -14.336 flat angles C4'-P-C4' energy: -13.898 flat angles P-C4'-P energy: -9.445 tors. eta vs tors. theta energy: -7.538 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: 7 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -91.497885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.497885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.497885 (E_RNA) where: Base-Base interactions energy: -41.712 where: short stacking energy: -38.020 Base-Backbone interact. energy: -0.209 local terms energy: -49.577152 where: bonds (distance) C4'-P energy: -10.136 bonds (distance) P-C4' energy: -11.713 flat angles C4'-P-C4' energy: -13.934 flat angles P-C4'-P energy: -9.046 tors. eta vs tors. theta energy: -4.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -87.015544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.015544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.015544 (E_RNA) where: Base-Base interactions energy: -38.055 where: short stacking energy: -30.042 Base-Backbone interact. energy: -0.013 local terms energy: -48.946806 where: bonds (distance) C4'-P energy: -10.409 bonds (distance) P-C4' energy: -10.949 flat angles C4'-P-C4' energy: -11.920 flat angles P-C4'-P energy: -11.959 tors. eta vs tors. theta energy: -3.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -80.851032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.851032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.851032 (E_RNA) where: Base-Base interactions energy: -30.482 where: short stacking energy: -30.482 Base-Backbone interact. energy: -0.102 local terms energy: -50.267306 where: bonds (distance) C4'-P energy: -9.780 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -13.984 flat angles P-C4'-P energy: -8.672 tors. eta vs tors. theta energy: -5.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -73.229163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.229163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.229163 (E_RNA) where: Base-Base interactions energy: -28.111 where: short stacking energy: -20.046 Base-Backbone interact. energy: 0.084 local terms energy: -45.202357 where: bonds (distance) C4'-P energy: -11.369 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -12.233 flat angles P-C4'-P energy: -10.940 tors. eta vs tors. theta energy: 2.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -81.738751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.738751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.738751 (E_RNA) where: Base-Base interactions energy: -40.872 where: short stacking energy: -21.411 Base-Backbone interact. energy: -0.444 local terms energy: -40.422939 where: bonds (distance) C4'-P energy: -12.947 bonds (distance) P-C4' energy: -11.499 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -7.351 tors. eta vs tors. theta energy: -2.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -159.427488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.427488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.427488 (E_RNA) where: Base-Base interactions energy: -90.599 where: short stacking energy: -64.983 Base-Backbone interact. energy: -0.040 local terms energy: -68.788233 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -14.226 flat angles C4'-P-C4' energy: -13.790 flat angles P-C4'-P energy: -11.617 tors. eta vs tors. theta energy: -16.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -148.704116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.704116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.704116 (E_RNA) where: Base-Base interactions energy: -92.033 where: short stacking energy: -61.483 Base-Backbone interact. energy: -0.012 local terms energy: -56.658881 where: bonds (distance) C4'-P energy: -11.680 bonds (distance) P-C4' energy: -10.358 flat angles C4'-P-C4' energy: -12.218 flat angles P-C4'-P energy: -9.776 tors. eta vs tors. theta energy: -12.627 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: 187 Temperature: 1.000000 Total energy: -155.169875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.169875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.169875 (E_RNA) where: Base-Base interactions energy: -92.629 where: short stacking energy: -56.150 Base-Backbone interact. energy: -0.290 local terms energy: -62.250831 where: bonds (distance) C4'-P energy: -12.528 bonds (distance) P-C4' energy: -10.765 flat angles C4'-P-C4' energy: -13.104 flat angles P-C4'-P energy: -10.593 tors. eta vs tors. theta energy: -15.260 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: 5 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -141.257704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.257704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.257704 (E_RNA) where: Base-Base interactions energy: -86.244 where: short stacking energy: -49.041 Base-Backbone interact. energy: -0.123 local terms energy: -54.891120 where: bonds (distance) C4'-P energy: -11.116 bonds (distance) P-C4' energy: -12.241 flat angles C4'-P-C4' energy: -12.912 flat angles P-C4'-P energy: -8.439 tors. eta vs tors. theta energy: -10.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -116.677186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.677186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.677186 (E_RNA) where: Base-Base interactions energy: -61.158 where: short stacking energy: -39.710 Base-Backbone interact. energy: -0.352 local terms energy: -55.167441 where: bonds (distance) C4'-P energy: -10.152 bonds (distance) P-C4' energy: -13.169 flat angles C4'-P-C4' energy: -10.619 flat angles P-C4'-P energy: -7.242 tors. eta vs tors. theta energy: -13.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -83.026169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.026169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.026169 (E_RNA) where: Base-Base interactions energy: -35.013 where: short stacking energy: -35.013 Base-Backbone interact. energy: -0.038 local terms energy: -47.975364 where: bonds (distance) C4'-P energy: -10.173 bonds (distance) P-C4' energy: -13.628 flat angles C4'-P-C4' energy: -11.981 flat angles P-C4'-P energy: -5.008 tors. eta vs tors. theta energy: -7.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -88.926631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.926631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.926631 (E_RNA) where: Base-Base interactions energy: -41.301 where: short stacking energy: -39.067 Base-Backbone interact. energy: -1.011 local terms energy: -46.614630 where: bonds (distance) C4'-P energy: -10.778 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -14.143 flat angles P-C4'-P energy: -2.575 tors. eta vs tors. theta energy: -4.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -82.252812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.252812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.252812 (E_RNA) where: Base-Base interactions energy: -46.518 where: short stacking energy: -41.777 Base-Backbone interact. energy: -0.012 local terms energy: -35.722732 where: bonds (distance) C4'-P energy: -11.469 bonds (distance) P-C4' energy: -8.248 flat angles C4'-P-C4' energy: -3.316 flat angles P-C4'-P energy: -5.719 tors. eta vs tors. theta energy: -6.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -82.570149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.570149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.570149 (E_RNA) where: Base-Base interactions energy: -34.497 where: short stacking energy: -34.439 Base-Backbone interact. energy: -0.231 local terms energy: -47.842709 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -11.938 flat angles C4'-P-C4' energy: -12.470 flat angles P-C4'-P energy: -6.471 tors. eta vs tors. theta energy: -10.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -75.361883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.361883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.361883 (E_RNA) where: Base-Base interactions energy: -29.208 where: short stacking energy: -24.323 Base-Backbone interact. energy: -1.284 local terms energy: -44.870386 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -10.210 flat angles P-C4'-P energy: -7.686 tors. eta vs tors. theta energy: -1.751 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: 1, replica: 4 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -152.226134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.226134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.226134 (E_RNA) where: Base-Base interactions energy: -92.129 where: short stacking energy: -58.721 Base-Backbone interact. energy: 0.867 local terms energy: -60.963652 where: bonds (distance) C4'-P energy: -13.590 bonds (distance) P-C4' energy: -12.772 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -12.287 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: 2, replica: 2 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -156.450888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.450888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.450888 (E_RNA) where: Base-Base interactions energy: -93.719 where: short stacking energy: -60.523 Base-Backbone interact. energy: -0.003 local terms energy: -62.729484 where: bonds (distance) C4'-P energy: -12.844 bonds (distance) P-C4' energy: -10.507 flat angles C4'-P-C4' energy: -13.832 flat angles P-C4'-P energy: -10.492 tors. eta vs tors. theta energy: -15.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -140.700084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.700084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.700084 (E_RNA) where: Base-Base interactions energy: -83.900 where: short stacking energy: -50.901 Base-Backbone interact. energy: -0.016 local terms energy: -56.784263 where: bonds (distance) C4'-P energy: -12.157 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -13.451 flat angles P-C4'-P energy: -9.797 tors. eta vs tors. theta energy: -7.406 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: 188 Temperature: 1.050000 Total energy: -147.071705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.071705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.071705 (E_RNA) where: Base-Base interactions energy: -82.068 where: short stacking energy: -50.555 Base-Backbone interact. energy: -0.720 local terms energy: -64.283168 where: bonds (distance) C4'-P energy: -14.797 bonds (distance) P-C4' energy: -13.653 flat angles C4'-P-C4' energy: -15.186 flat angles P-C4'-P energy: -8.856 tors. eta vs tors. theta energy: -11.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -95.254352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.254352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.254352 (E_RNA) where: Base-Base interactions energy: -44.634 where: short stacking energy: -43.037 Base-Backbone interact. energy: -1.156 local terms energy: -49.464342 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -12.094 flat angles C4'-P-C4' energy: -9.394 flat angles P-C4'-P energy: -12.319 tors. eta vs tors. theta energy: -8.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -117.268586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.268586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.268586 (E_RNA) where: Base-Base interactions energy: -55.111 where: short stacking energy: -46.121 Base-Backbone interact. energy: -0.111 local terms energy: -62.046219 where: bonds (distance) C4'-P energy: -10.744 bonds (distance) P-C4' energy: -13.949 flat angles C4'-P-C4' energy: -13.970 flat angles P-C4'-P energy: -10.446 tors. eta vs tors. theta energy: -12.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -100.804572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.804572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.804572 (E_RNA) where: Base-Base interactions energy: -43.951 where: short stacking energy: -38.266 Base-Backbone interact. energy: -0.063 local terms energy: -56.790164 where: bonds (distance) C4'-P energy: -13.647 bonds (distance) P-C4' energy: -15.178 flat angles C4'-P-C4' energy: -12.044 flat angles P-C4'-P energy: -8.422 tors. eta vs tors. theta energy: -7.499 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: 188 Temperature: 1.250000 Total energy: -81.169258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.169258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.169258 (E_RNA) where: Base-Base interactions energy: -37.773 where: short stacking energy: -28.295 Base-Backbone interact. energy: -0.198 local terms energy: -43.197413 where: bonds (distance) C4'-P energy: -5.951 bonds (distance) P-C4' energy: -11.899 flat angles C4'-P-C4' energy: -13.214 flat angles P-C4'-P energy: -10.063 tors. eta vs tors. theta energy: -2.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -70.858070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.858070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.858070 (E_RNA) where: Base-Base interactions energy: -28.928 where: short stacking energy: -25.920 Base-Backbone interact. energy: -0.078 local terms energy: -41.852753 where: bonds (distance) C4'-P energy: -9.375 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -10.741 flat angles P-C4'-P energy: -6.347 tors. eta vs tors. theta energy: -1.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -74.188701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.188701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.188701 (E_RNA) where: Base-Base interactions energy: -38.608 where: short stacking energy: -29.414 Base-Backbone interact. energy: 0.330 local terms energy: -35.910641 where: bonds (distance) C4'-P energy: -10.997 bonds (distance) P-C4' energy: -11.566 flat angles C4'-P-C4' energy: -8.407 flat angles P-C4'-P energy: -4.015 tors. eta vs tors. theta energy: -0.926 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: 4 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -161.321474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.321474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.321474 (E_RNA) where: Base-Base interactions energy: -98.098 where: short stacking energy: -60.513 Base-Backbone interact. energy: 0.515 local terms energy: -63.738535 where: bonds (distance) C4'-P energy: -12.719 bonds (distance) P-C4' energy: -15.423 flat angles C4'-P-C4' energy: -13.018 flat angles P-C4'-P energy: -8.904 tors. eta vs tors. theta energy: -13.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -157.230125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.230125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.230125 (E_RNA) where: Base-Base interactions energy: -92.582 where: short stacking energy: -55.592 Base-Backbone interact. energy: -0.417 local terms energy: -64.231782 where: bonds (distance) C4'-P energy: -12.636 bonds (distance) P-C4' energy: -14.709 flat angles C4'-P-C4' energy: -13.781 flat angles P-C4'-P energy: -9.476 tors. eta vs tors. theta energy: -13.630 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: 3, replica: 2 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -158.909676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.909676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.909676 (E_RNA) where: Base-Base interactions energy: -97.802 where: short stacking energy: -59.998 Base-Backbone interact. energy: -0.002 local terms energy: -61.104910 where: bonds (distance) C4'-P energy: -12.413 bonds (distance) P-C4' energy: -13.562 flat angles C4'-P-C4' energy: -13.535 flat angles P-C4'-P energy: -8.469 tors. eta vs tors. theta energy: -13.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -156.422179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.422179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.422179 (E_RNA) where: Base-Base interactions energy: -93.305 where: short stacking energy: -59.043 Base-Backbone interact. energy: -0.027 local terms energy: -63.090610 where: bonds (distance) C4'-P energy: -12.566 bonds (distance) P-C4' energy: -14.560 flat angles C4'-P-C4' energy: -13.499 flat angles P-C4'-P energy: -6.277 tors. eta vs tors. theta energy: -16.189 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: 3 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -107.058091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.058091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.058091 (E_RNA) where: Base-Base interactions energy: -49.785 where: short stacking energy: -47.973 Base-Backbone interact. energy: 0.586 local terms energy: -57.859309 where: bonds (distance) C4'-P energy: -11.487 bonds (distance) P-C4' energy: -12.527 flat angles C4'-P-C4' energy: -14.369 flat angles P-C4'-P energy: -6.645 tors. eta vs tors. theta energy: -12.831 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: 189 Temperature: 1.150000 Total energy: -100.871771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.871771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.871771 (E_RNA) where: Base-Base interactions energy: -50.868 where: short stacking energy: -37.859 Base-Backbone interact. energy: -0.332 local terms energy: -49.671452 where: bonds (distance) C4'-P energy: -12.678 bonds (distance) P-C4' energy: -12.704 flat angles C4'-P-C4' energy: -12.156 flat angles P-C4'-P energy: -7.391 tors. eta vs tors. theta energy: -4.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -98.335604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.335604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.335604 (E_RNA) where: Base-Base interactions energy: -54.134 where: short stacking energy: -42.010 Base-Backbone interact. energy: -0.171 local terms energy: -44.030657 where: bonds (distance) C4'-P energy: -10.042 bonds (distance) P-C4' energy: -6.764 flat angles C4'-P-C4' energy: -15.147 flat angles P-C4'-P energy: -5.524 tors. eta vs tors. theta energy: -6.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -89.957742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.957742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.957742 (E_RNA) where: Base-Base interactions energy: -40.726 where: short stacking energy: -41.226 Base-Backbone interact. energy: -0.193 local terms energy: -49.038607 where: bonds (distance) C4'-P energy: -10.497 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -9.457 flat angles P-C4'-P energy: -8.983 tors. eta vs tors. theta energy: -7.097 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: 7 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -77.278554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.278554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.278554 (E_RNA) where: Base-Base interactions energy: -35.588 where: short stacking energy: -32.664 Base-Backbone interact. energy: -0.194 local terms energy: -41.495932 where: bonds (distance) C4'-P energy: -11.205 bonds (distance) P-C4' energy: -12.010 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -9.340 tors. eta vs tors. theta energy: -0.715 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: 10, replica: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -68.829983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.829983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.829983 (E_RNA) where: Base-Base interactions energy: -28.731 where: short stacking energy: -28.177 Base-Backbone interact. energy: -0.695 local terms energy: -39.404158 where: bonds (distance) C4'-P energy: -12.815 bonds (distance) P-C4' energy: -11.936 flat angles C4'-P-C4' energy: -10.246 flat angles P-C4'-P energy: -2.692 tors. eta vs tors. theta energy: -1.715 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: 1, replica: 5 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -162.657833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.657833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.657833 (E_RNA) where: Base-Base interactions energy: -101.348 where: short stacking energy: -62.173 Base-Backbone interact. energy: -0.009 local terms energy: -61.301659 where: bonds (distance) C4'-P energy: -15.535 bonds (distance) P-C4' energy: -10.675 flat angles C4'-P-C4' energy: -11.820 flat angles P-C4'-P energy: -8.504 tors. eta vs tors. theta energy: -14.769 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: 190 Temperature: 0.950000 Total energy: -153.934767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.934767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.934767 (E_RNA) where: Base-Base interactions energy: -89.807 where: short stacking energy: -52.589 Base-Backbone interact. energy: -0.158 local terms energy: -63.970444 where: bonds (distance) C4'-P energy: -14.368 bonds (distance) P-C4' energy: -15.780 flat angles C4'-P-C4' energy: -12.186 flat angles P-C4'-P energy: -11.868 tors. eta vs tors. theta energy: -9.767 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: 1 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -148.799034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.799034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.799034 (E_RNA) where: Base-Base interactions energy: -94.729 where: short stacking energy: -55.560 Base-Backbone interact. energy: -0.492 local terms energy: -53.577820 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -13.956 flat angles C4'-P-C4' energy: -14.092 flat angles P-C4'-P energy: -9.141 tors. eta vs tors. theta energy: -8.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -153.995198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.995198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.995198 (E_RNA) where: Base-Base interactions energy: -95.076 where: short stacking energy: -58.940 Base-Backbone interact. energy: -0.108 local terms energy: -58.810368 where: bonds (distance) C4'-P energy: -10.368 bonds (distance) P-C4' energy: -13.093 flat angles C4'-P-C4' energy: -11.627 flat angles P-C4'-P energy: -9.255 tors. eta vs tors. theta energy: -14.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -96.009115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.009115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.009115 (E_RNA) where: Base-Base interactions energy: -52.057 where: short stacking energy: -37.689 Base-Backbone interact. energy: -0.113 local terms energy: -43.839053 where: bonds (distance) C4'-P energy: -10.200 bonds (distance) P-C4' energy: -13.460 flat angles C4'-P-C4' energy: -10.203 flat angles P-C4'-P energy: -5.112 tors. eta vs tors. theta energy: -4.864 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: 6, replica: 3 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -102.974577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.974577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.974577 (E_RNA) where: Base-Base interactions energy: -46.167 where: short stacking energy: -46.167 Base-Backbone interact. energy: -0.852 local terms energy: -55.955593 where: bonds (distance) C4'-P energy: -12.007 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -10.912 flat angles P-C4'-P energy: -9.951 tors. eta vs tors. theta energy: -8.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -84.654895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.654895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.654895 (E_RNA) where: Base-Base interactions energy: -35.965 where: short stacking energy: -33.800 Base-Backbone interact. energy: -0.058 local terms energy: -48.632061 where: bonds (distance) C4'-P energy: -11.979 bonds (distance) P-C4' energy: -11.274 flat angles C4'-P-C4' energy: -11.104 flat angles P-C4'-P energy: -10.087 tors. eta vs tors. theta energy: -4.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -99.055011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.055011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.055011 (E_RNA) where: Base-Base interactions energy: -63.906 where: short stacking energy: -36.669 Base-Backbone interact. energy: 0.078 local terms energy: -35.226447 where: bonds (distance) C4'-P energy: -9.393 bonds (distance) P-C4' energy: -9.640 flat angles C4'-P-C4' energy: -9.878 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -0.972 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: 8 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -73.602229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.602229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.602229 (E_RNA) where: Base-Base interactions energy: -31.745 where: short stacking energy: -30.830 Base-Backbone interact. energy: -0.138 local terms energy: -41.719144 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -9.393 flat angles C4'-P-C4' energy: -12.080 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -3.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -73.646812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.646812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.646812 (E_RNA) where: Base-Base interactions energy: -26.859 where: short stacking energy: -20.662 Base-Backbone interact. energy: -0.226 local terms energy: -46.561829 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -10.028 flat angles C4'-P-C4' energy: -12.621 flat angles P-C4'-P energy: -9.342 tors. eta vs tors. theta energy: -1.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -161.245090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.245090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.245090 (E_RNA) where: Base-Base interactions energy: -98.683 where: short stacking energy: -59.979 Base-Backbone interact. energy: 0.840 local terms energy: -63.402294 where: bonds (distance) C4'-P energy: -13.254 bonds (distance) P-C4' energy: -11.977 flat angles C4'-P-C4' energy: -16.597 flat angles P-C4'-P energy: -9.612 tors. eta vs tors. theta energy: -11.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -151.695590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.695590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.695590 (E_RNA) where: Base-Base interactions energy: -93.895 where: short stacking energy: -64.684 Base-Backbone interact. energy: 0.273 local terms energy: -58.073020 where: bonds (distance) C4'-P energy: -12.832 bonds (distance) P-C4' energy: -9.398 flat angles C4'-P-C4' energy: -12.728 flat angles P-C4'-P energy: -11.769 tors. eta vs tors. theta energy: -11.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -147.414991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.414991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.414991 (E_RNA) where: Base-Base interactions energy: -83.306 where: short stacking energy: -56.867 Base-Backbone interact. energy: -0.630 local terms energy: -63.478354 where: bonds (distance) C4'-P energy: -12.347 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -13.458 flat angles P-C4'-P energy: -8.969 tors. eta vs tors. theta energy: -15.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -110.612464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.612464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.612464 (E_RNA) where: Base-Base interactions energy: -54.418 where: short stacking energy: -54.418 Base-Backbone interact. energy: -0.046 local terms energy: -56.149168 where: bonds (distance) C4'-P energy: -9.976 bonds (distance) P-C4' energy: -10.994 flat angles C4'-P-C4' energy: -13.947 flat angles P-C4'-P energy: -7.720 tors. eta vs tors. theta energy: -13.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -138.764864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.764864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.764864 (E_RNA) where: Base-Base interactions energy: -84.178 where: short stacking energy: -48.010 Base-Backbone interact. energy: -0.023 local terms energy: -54.563682 where: bonds (distance) C4'-P energy: -10.873 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -12.773 flat angles P-C4'-P energy: -6.953 tors. eta vs tors. theta energy: -10.017 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: 10 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -115.951507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.951507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.951507 (E_RNA) where: Base-Base interactions energy: -58.807 where: short stacking energy: -49.118 Base-Backbone interact. energy: -0.001 local terms energy: -57.143361 where: bonds (distance) C4'-P energy: -10.658 bonds (distance) P-C4' energy: -14.250 flat angles C4'-P-C4' energy: -12.592 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: -15.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -97.024534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.024534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.024534 (E_RNA) where: Base-Base interactions energy: -48.708 where: short stacking energy: -44.566 Base-Backbone interact. energy: -0.012 local terms energy: -48.303756 where: bonds (distance) C4'-P energy: -13.589 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -13.416 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -7.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -93.086515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.086515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.086515 (E_RNA) where: Base-Base interactions energy: -44.810 where: short stacking energy: -31.168 Base-Backbone interact. energy: -0.064 local terms energy: -48.212066 where: bonds (distance) C4'-P energy: -12.256 bonds (distance) P-C4' energy: -12.757 flat angles C4'-P-C4' energy: -13.389 flat angles P-C4'-P energy: -6.927 tors. eta vs tors. theta energy: -2.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -115.845241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.845241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.845241 (E_RNA) where: Base-Base interactions energy: -70.051 where: short stacking energy: -38.441 Base-Backbone interact. energy: -0.499 local terms energy: -45.294882 where: bonds (distance) C4'-P energy: -8.195 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -12.200 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -8.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -86.319640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.319640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.319640 (E_RNA) where: Base-Base interactions energy: -44.957 where: short stacking energy: -44.957 Base-Backbone interact. energy: -0.006 local terms energy: -41.355938 where: bonds (distance) C4'-P energy: -8.244 bonds (distance) P-C4' energy: -9.960 flat angles C4'-P-C4' energy: -9.669 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: -5.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -157.824194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.824194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.824194 (E_RNA) where: Base-Base interactions energy: -93.867 where: short stacking energy: -54.986 Base-Backbone interact. energy: -0.096 local terms energy: -63.861818 where: bonds (distance) C4'-P energy: -11.589 bonds (distance) P-C4' energy: -14.712 flat angles C4'-P-C4' energy: -14.195 flat angles P-C4'-P energy: -12.424 tors. eta vs tors. theta energy: -10.942 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: 192 Temperature: 0.950000 Total energy: -153.012454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.012454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.012454 (E_RNA) where: Base-Base interactions energy: -88.517 where: short stacking energy: -59.980 Base-Backbone interact. energy: -0.106 local terms energy: -64.390036 where: bonds (distance) C4'-P energy: -12.218 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -13.452 flat angles P-C4'-P energy: -9.779 tors. eta vs tors. theta energy: -15.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -136.446885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.446885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.446885 (E_RNA) where: Base-Base interactions energy: -77.936 where: short stacking energy: -45.400 Base-Backbone interact. energy: -0.503 local terms energy: -58.008062 where: bonds (distance) C4'-P energy: -10.311 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -14.203 flat angles P-C4'-P energy: -7.997 tors. eta vs tors. theta energy: -9.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -118.667564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.667564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.667564 (E_RNA) where: Base-Base interactions energy: -55.556 where: short stacking energy: -52.531 Base-Backbone interact. energy: -0.153 local terms energy: -62.958444 where: bonds (distance) C4'-P energy: -11.734 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -15.601 flat angles P-C4'-P energy: -7.612 tors. eta vs tors. theta energy: -12.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -146.577095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.577095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.577095 (E_RNA) where: Base-Base interactions energy: -89.586 where: short stacking energy: -55.172 Base-Backbone interact. energy: -0.341 local terms energy: -56.650446 where: bonds (distance) C4'-P energy: -8.562 bonds (distance) P-C4' energy: -14.958 flat angles C4'-P-C4' energy: -8.812 flat angles P-C4'-P energy: -8.750 tors. eta vs tors. theta energy: -15.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -93.777502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.777502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.777502 (E_RNA) where: Base-Base interactions energy: -38.754 where: short stacking energy: -36.869 Base-Backbone interact. energy: -0.054 local terms energy: -54.969213 where: bonds (distance) C4'-P energy: -14.743 bonds (distance) P-C4' energy: -11.869 flat angles C4'-P-C4' energy: -13.344 flat angles P-C4'-P energy: -8.006 tors. eta vs tors. theta energy: -7.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -90.061416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.061416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.061416 (E_RNA) where: Base-Base interactions energy: -43.026 where: short stacking energy: -36.295 Base-Backbone interact. energy: 1.832 local terms energy: -48.867137 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -10.661 flat angles C4'-P-C4' energy: -13.960 flat angles P-C4'-P energy: -10.565 tors. eta vs tors. theta energy: -7.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -83.905093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.905093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.905093 (E_RNA) where: Base-Base interactions energy: -34.613 where: short stacking energy: -32.552 Base-Backbone interact. energy: 0.142 local terms energy: -49.434339 where: bonds (distance) C4'-P energy: -11.163 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -11.402 flat angles P-C4'-P energy: -10.507 tors. eta vs tors. theta energy: -3.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -86.216595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.216595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.216595 (E_RNA) where: Base-Base interactions energy: -34.152 where: short stacking energy: -34.152 Base-Backbone interact. energy: -0.109 local terms energy: -51.956000 where: bonds (distance) C4'-P energy: -10.810 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -9.557 flat angles P-C4'-P energy: -8.491 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: 10, replica: 9 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -75.110240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.110240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.110240 (E_RNA) where: Base-Base interactions energy: -31.557 where: short stacking energy: -31.557 Base-Backbone interact. energy: -0.117 local terms energy: -43.436186 where: bonds (distance) C4'-P energy: -11.083 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -12.022 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -1.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -148.213633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.213633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.213633 (E_RNA) where: Base-Base interactions energy: -92.405 where: short stacking energy: -48.174 Base-Backbone interact. energy: -0.370 local terms energy: -55.438823 where: bonds (distance) C4'-P energy: -10.033 bonds (distance) P-C4' energy: -13.199 flat angles C4'-P-C4' energy: -14.015 flat angles P-C4'-P energy: -7.923 tors. eta vs tors. theta energy: -10.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -143.586498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.586498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.586498 (E_RNA) where: Base-Base interactions energy: -81.149 where: short stacking energy: -50.971 Base-Backbone interact. energy: -0.125 local terms energy: -62.311996 where: bonds (distance) C4'-P energy: -15.535 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -12.114 flat angles P-C4'-P energy: -10.211 tors. eta vs tors. theta energy: -10.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -137.616413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.616413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.616413 (E_RNA) where: Base-Base interactions energy: -79.010 where: short stacking energy: -50.846 Base-Backbone interact. energy: -0.046 local terms energy: -58.560869 where: bonds (distance) C4'-P energy: -15.063 bonds (distance) P-C4' energy: -8.068 flat angles C4'-P-C4' energy: -12.932 flat angles P-C4'-P energy: -10.696 tors. eta vs tors. theta energy: -11.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -138.224647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.224647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.224647 (E_RNA) where: Base-Base interactions energy: -84.221 where: short stacking energy: -53.140 Base-Backbone interact. energy: -0.238 local terms energy: -53.765360 where: bonds (distance) C4'-P energy: -10.127 bonds (distance) P-C4' energy: -13.036 flat angles C4'-P-C4' energy: -12.322 flat angles P-C4'-P energy: -8.672 tors. eta vs tors. theta energy: -9.608 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: 6 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -112.393782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.393782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.393782 (E_RNA) where: Base-Base interactions energy: -48.341 where: short stacking energy: -48.138 Base-Backbone interact. energy: -0.009 local terms energy: -64.044076 where: bonds (distance) C4'-P energy: -15.225 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -14.954 flat angles P-C4'-P energy: -10.681 tors. eta vs tors. theta energy: -8.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -97.374380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.374380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.374380 (E_RNA) where: Base-Base interactions energy: -39.911 where: short stacking energy: -39.911 Base-Backbone interact. energy: -0.104 local terms energy: -57.359322 where: bonds (distance) C4'-P energy: -11.669 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -12.938 flat angles P-C4'-P energy: -8.538 tors. eta vs tors. theta energy: -9.385 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: 10 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -82.880143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.880143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.880143 (E_RNA) where: Base-Base interactions energy: -33.581 where: short stacking energy: -33.581 Base-Backbone interact. energy: -0.021 local terms energy: -49.277490 where: bonds (distance) C4'-P energy: -13.697 bonds (distance) P-C4' energy: -9.398 flat angles C4'-P-C4' energy: -7.614 flat angles P-C4'-P energy: -9.448 tors. eta vs tors. theta energy: -9.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -75.615375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.615375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.615375 (E_RNA) where: Base-Base interactions energy: -32.619 where: short stacking energy: -31.932 Base-Backbone interact. energy: -0.720 local terms energy: -42.276217 where: bonds (distance) C4'-P energy: -11.068 bonds (distance) P-C4' energy: -14.736 flat angles C4'-P-C4' energy: -12.357 flat angles P-C4'-P energy: -2.632 tors. eta vs tors. theta energy: -1.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -70.829863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.829863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.829863 (E_RNA) where: Base-Base interactions energy: -34.324 where: short stacking energy: -30.112 Base-Backbone interact. energy: -0.281 local terms energy: -36.225045 where: bonds (distance) C4'-P energy: -8.641 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -9.379 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -77.907240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.907240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.907240 (E_RNA) where: Base-Base interactions energy: -39.495 where: short stacking energy: -35.273 Base-Backbone interact. energy: -0.331 local terms energy: -38.081243 where: bonds (distance) C4'-P energy: -10.302 bonds (distance) P-C4' energy: -11.958 flat angles C4'-P-C4' energy: -9.085 flat angles P-C4'-P energy: -5.647 tors. eta vs tors. theta energy: -1.089 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: 5 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -156.929019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.929019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.929019 (E_RNA) where: Base-Base interactions energy: -94.313 where: short stacking energy: -56.290 Base-Backbone interact. energy: -0.001 local terms energy: -62.614986 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -14.945 flat angles P-C4'-P energy: -8.652 tors. eta vs tors. theta energy: -12.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -155.133127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.133127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.133127 (E_RNA) where: Base-Base interactions energy: -95.832 where: short stacking energy: -62.328 Base-Backbone interact. energy: -0.163 local terms energy: -59.137916 where: bonds (distance) C4'-P energy: -13.001 bonds (distance) P-C4' energy: -10.895 flat angles C4'-P-C4' energy: -11.770 flat angles P-C4'-P energy: -8.431 tors. eta vs tors. theta energy: -15.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -155.527524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.527524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.527524 (E_RNA) where: Base-Base interactions energy: -96.218 where: short stacking energy: -54.750 Base-Backbone interact. energy: -0.002 local terms energy: -59.307635 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -12.940 flat angles C4'-P-C4' energy: -11.085 flat angles P-C4'-P energy: -9.724 tors. eta vs tors. theta energy: -11.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -139.049153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.049153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.049153 (E_RNA) where: Base-Base interactions energy: -83.017 where: short stacking energy: -52.966 Base-Backbone interact. energy: -0.087 local terms energy: -55.945733 where: bonds (distance) C4'-P energy: -12.520 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -9.714 flat angles P-C4'-P energy: -7.170 tors. eta vs tors. theta energy: -11.241 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: 8 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -108.552525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.552525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.552525 (E_RNA) where: Base-Base interactions energy: -52.323 where: short stacking energy: -48.045 Base-Backbone interact. energy: -0.029 local terms energy: -56.200383 where: bonds (distance) C4'-P energy: -13.853 bonds (distance) P-C4' energy: -13.968 flat angles C4'-P-C4' energy: -11.240 flat angles P-C4'-P energy: -9.043 tors. eta vs tors. theta energy: -8.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -91.554893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.554893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.554893 (E_RNA) where: Base-Base interactions energy: -39.095 where: short stacking energy: -39.095 Base-Backbone interact. energy: -0.001 local terms energy: -52.458661 where: bonds (distance) C4'-P energy: -10.746 bonds (distance) P-C4' energy: -14.174 flat angles C4'-P-C4' energy: -14.590 flat angles P-C4'-P energy: -6.624 tors. eta vs tors. theta energy: -6.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -94.328852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.328852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.328852 (E_RNA) where: Base-Base interactions energy: -45.036 where: short stacking energy: -45.036 Base-Backbone interact. energy: -0.150 local terms energy: -49.142789 where: bonds (distance) C4'-P energy: -14.272 bonds (distance) P-C4' energy: -7.865 flat angles C4'-P-C4' energy: -8.718 flat angles P-C4'-P energy: -11.037 tors. eta vs tors. theta energy: -7.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -79.316031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.316031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.316031 (E_RNA) where: Base-Base interactions energy: -34.602 where: short stacking energy: -34.602 Base-Backbone interact. energy: -0.162 local terms energy: -44.552110 where: bonds (distance) C4'-P energy: -10.685 bonds (distance) P-C4' energy: -14.476 flat angles C4'-P-C4' energy: -10.844 flat angles P-C4'-P energy: -7.779 tors. eta vs tors. theta energy: -0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -86.588702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.588702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.588702 (E_RNA) where: Base-Base interactions energy: -30.960 where: short stacking energy: -30.960 Base-Backbone interact. energy: -0.142 local terms energy: -55.486939 where: bonds (distance) C4'-P energy: -12.611 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -11.068 tors. eta vs tors. theta energy: -9.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -71.591194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.591194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.591194 (E_RNA) where: Base-Base interactions energy: -32.923 where: short stacking energy: -32.923 Base-Backbone interact. energy: -0.024 local terms energy: -38.643711 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -5.800 flat angles C4'-P-C4' energy: -11.206 flat angles P-C4'-P energy: -1.715 tors. eta vs tors. theta energy: -7.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -162.404489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.404489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.404489 (E_RNA) where: Base-Base interactions energy: -103.175 where: short stacking energy: -63.555 Base-Backbone interact. energy: -0.000 local terms energy: -59.229601 where: bonds (distance) C4'-P energy: -9.421 bonds (distance) P-C4' energy: -15.647 flat angles C4'-P-C4' energy: -12.619 flat angles P-C4'-P energy: -9.960 tors. eta vs tors. theta energy: -11.582 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: 195 Temperature: 0.950000 Total energy: -145.000536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.000536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.000536 (E_RNA) where: Base-Base interactions energy: -87.263 where: short stacking energy: -49.412 Base-Backbone interact. energy: -0.161 local terms energy: -57.575598 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -14.966 flat angles C4'-P-C4' energy: -12.353 flat angles P-C4'-P energy: -8.821 tors. eta vs tors. theta energy: -8.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -158.949652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.949652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.949652 (E_RNA) where: Base-Base interactions energy: -101.641 where: short stacking energy: -66.967 Base-Backbone interact. energy: -0.007 local terms energy: -57.301828 where: bonds (distance) C4'-P energy: -9.917 bonds (distance) P-C4' energy: -13.222 flat angles C4'-P-C4' energy: -11.813 flat angles P-C4'-P energy: -8.080 tors. eta vs tors. theta energy: -14.270 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: 2 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -140.411460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.411460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.411460 (E_RNA) where: Base-Base interactions energy: -86.419 where: short stacking energy: -50.518 Base-Backbone interact. energy: -0.218 local terms energy: -53.774944 where: bonds (distance) C4'-P energy: -12.422 bonds (distance) P-C4' energy: -13.844 flat angles C4'-P-C4' energy: -12.008 flat angles P-C4'-P energy: -6.433 tors. eta vs tors. theta energy: -9.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -126.974320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.974320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.974320 (E_RNA) where: Base-Base interactions energy: -69.375 where: short stacking energy: -50.511 Base-Backbone interact. energy: 0.062 local terms energy: -57.661193 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -12.636 flat angles P-C4'-P energy: -5.734 tors. eta vs tors. theta energy: -12.291 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: 7 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -88.351850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.351850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.351850 (E_RNA) where: Base-Base interactions energy: -41.956 where: short stacking energy: -37.132 Base-Backbone interact. energy: -0.298 local terms energy: -46.097156 where: bonds (distance) C4'-P energy: -10.125 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -13.130 flat angles P-C4'-P energy: -7.681 tors. eta vs tors. theta energy: -2.080 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: 195 Temperature: 1.200000 Total energy: -94.454653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.454653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.454653 (E_RNA) where: Base-Base interactions energy: -44.894 where: short stacking energy: -40.862 Base-Backbone interact. energy: -0.014 local terms energy: -49.546492 where: bonds (distance) C4'-P energy: -11.797 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -12.558 flat angles P-C4'-P energy: -5.253 tors. eta vs tors. theta energy: -6.617 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: 8, replica: 9 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -92.487790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.487790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.487790 (E_RNA) where: Base-Base interactions energy: -41.073 where: short stacking energy: -38.788 Base-Backbone interact. energy: -0.189 local terms energy: -51.225553 where: bonds (distance) C4'-P energy: -11.821 bonds (distance) P-C4' energy: -13.581 flat angles C4'-P-C4' energy: -13.099 flat angles P-C4'-P energy: -3.109 tors. eta vs tors. theta energy: -9.615 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: 9, replica: 10 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -79.752020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.752020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.752020 (E_RNA) where: Base-Base interactions energy: -39.815 where: short stacking energy: -27.018 Base-Backbone interact. energy: -0.570 local terms energy: -39.366919 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -13.660 flat angles C4'-P-C4' energy: -13.807 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: 0.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -76.992148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.992148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.992148 (E_RNA) where: Base-Base interactions energy: -35.256 where: short stacking energy: -35.256 Base-Backbone interact. energy: -0.129 local terms energy: -41.607755 where: bonds (distance) C4'-P energy: -9.962 bonds (distance) P-C4' energy: -10.611 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -6.038 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: 4 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -151.194286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.194286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.194286 (E_RNA) where: Base-Base interactions energy: -87.466 where: short stacking energy: -51.703 Base-Backbone interact. energy: -0.016 local terms energy: -63.712054 where: bonds (distance) C4'-P energy: -11.433 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -14.929 flat angles P-C4'-P energy: -11.640 tors. eta vs tors. theta energy: -12.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -172.939396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.939396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.939396 (E_RNA) where: Base-Base interactions energy: -107.854 where: short stacking energy: -65.386 Base-Backbone interact. energy: -0.095 local terms energy: -64.990373 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -13.580 flat angles C4'-P-C4' energy: -14.391 flat angles P-C4'-P energy: -8.875 tors. eta vs tors. theta energy: -15.532 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: 1 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -146.297239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.297239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.297239 (E_RNA) where: Base-Base interactions energy: -90.003 where: short stacking energy: -56.897 Base-Backbone interact. energy: -0.031 local terms energy: -56.262508 where: bonds (distance) C4'-P energy: -10.878 bonds (distance) P-C4' energy: -9.996 flat angles C4'-P-C4' energy: -14.598 flat angles P-C4'-P energy: -9.124 tors. eta vs tors. theta energy: -11.666 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: 2 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -155.305339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.305339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.305339 (E_RNA) where: Base-Base interactions energy: -94.520 where: short stacking energy: -59.360 Base-Backbone interact. energy: 1.141 local terms energy: -61.926002 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -11.147 flat angles P-C4'-P energy: -8.836 tors. eta vs tors. theta energy: -16.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -99.197337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.197337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.197337 (E_RNA) where: Base-Base interactions energy: -48.026 where: short stacking energy: -42.916 Base-Backbone interact. energy: -0.052 local terms energy: -51.118856 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -10.999 flat angles C4'-P-C4' energy: -9.137 flat angles P-C4'-P energy: -8.149 tors. eta vs tors. theta energy: -9.691 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: 8 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -96.526538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.526538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.526538 (E_RNA) where: Base-Base interactions energy: -46.161 where: short stacking energy: -43.555 Base-Backbone interact. energy: -0.258 local terms energy: -50.107235 where: bonds (distance) C4'-P energy: -11.726 bonds (distance) P-C4' energy: -11.883 flat angles C4'-P-C4' energy: -13.061 flat angles P-C4'-P energy: -2.651 tors. eta vs tors. theta energy: -10.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -89.238427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.238427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.238427 (E_RNA) where: Base-Base interactions energy: -41.916 where: short stacking energy: -41.916 Base-Backbone interact. energy: 0.162 local terms energy: -47.484836 where: bonds (distance) C4'-P energy: -13.009 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -11.911 flat angles P-C4'-P energy: -6.387 tors. eta vs tors. theta energy: -8.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -78.001621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.001621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.001621 (E_RNA) where: Base-Base interactions energy: -30.856 where: short stacking energy: -30.856 Base-Backbone interact. energy: -0.001 local terms energy: -47.144267 where: bonds (distance) C4'-P energy: -9.702 bonds (distance) P-C4' energy: -12.388 flat angles C4'-P-C4' energy: -11.280 flat angles P-C4'-P energy: -6.736 tors. eta vs tors. theta energy: -7.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -89.790407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.790407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.790407 (E_RNA) where: Base-Base interactions energy: -36.694 where: short stacking energy: -36.694 Base-Backbone interact. energy: -0.000 local terms energy: -53.096620 where: bonds (distance) C4'-P energy: -11.751 bonds (distance) P-C4' energy: -15.261 flat angles C4'-P-C4' energy: -9.836 flat angles P-C4'-P energy: -8.029 tors. eta vs tors. theta energy: -8.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -70.558060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.558060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.558060 (E_RNA) where: Base-Base interactions energy: -37.063 where: short stacking energy: -29.754 Base-Backbone interact. energy: -0.505 local terms energy: -32.989456 where: bonds (distance) C4'-P energy: -7.962 bonds (distance) P-C4' energy: -9.922 flat angles C4'-P-C4' energy: -8.623 flat angles P-C4'-P energy: -5.105 tors. eta vs tors. theta energy: -1.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -169.302681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.302681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.302681 (E_RNA) where: Base-Base interactions energy: -106.644 where: short stacking energy: -64.670 Base-Backbone interact. energy: -0.001 local terms energy: -62.658065 where: bonds (distance) C4'-P energy: -13.134 bonds (distance) P-C4' energy: -13.017 flat angles C4'-P-C4' energy: -13.497 flat angles P-C4'-P energy: -6.735 tors. eta vs tors. theta energy: -16.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -161.777637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.777637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.777637 (E_RNA) where: Base-Base interactions energy: -107.801 where: short stacking energy: -61.678 Base-Backbone interact. energy: -0.342 local terms energy: -53.634679 where: bonds (distance) C4'-P energy: -11.961 bonds (distance) P-C4' energy: -11.839 flat angles C4'-P-C4' energy: -12.113 flat angles P-C4'-P energy: -3.366 tors. eta vs tors. theta energy: -14.356 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: 1 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -160.113770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.113770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.113770 (E_RNA) where: Base-Base interactions energy: -98.854 where: short stacking energy: -56.417 Base-Backbone interact. energy: -0.326 local terms energy: -60.933098 where: bonds (distance) C4'-P energy: -6.634 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -15.546 flat angles P-C4'-P energy: -8.434 tors. eta vs tors. theta energy: -16.554 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: 2 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -145.492454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.492454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.492454 (E_RNA) where: Base-Base interactions energy: -82.901 where: short stacking energy: -51.412 Base-Backbone interact. energy: -0.119 local terms energy: -62.472774 where: bonds (distance) C4'-P energy: -12.873 bonds (distance) P-C4' energy: -13.609 flat angles C4'-P-C4' energy: -12.865 flat angles P-C4'-P energy: -10.005 tors. eta vs tors. theta energy: -13.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -107.554757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.554757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.554757 (E_RNA) where: Base-Base interactions energy: -51.502 where: short stacking energy: -51.502 Base-Backbone interact. energy: 0.635 local terms energy: -56.687679 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -12.447 flat angles C4'-P-C4' energy: -9.363 flat angles P-C4'-P energy: -7.894 tors. eta vs tors. theta energy: -14.380 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: 197 Temperature: 1.150000 Total energy: -98.014411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.014411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.014411 (E_RNA) where: Base-Base interactions energy: -46.949 where: short stacking energy: -41.517 Base-Backbone interact. energy: -0.328 local terms energy: -50.737256 where: bonds (distance) C4'-P energy: -12.646 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -13.300 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -9.100 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: 8 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -83.467463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.467463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.467463 (E_RNA) where: Base-Base interactions energy: -37.128 where: short stacking energy: -33.577 Base-Backbone interact. energy: -0.102 local terms energy: -46.237180 where: bonds (distance) C4'-P energy: -11.556 bonds (distance) P-C4' energy: -11.910 flat angles C4'-P-C4' energy: -9.768 flat angles P-C4'-P energy: -8.074 tors. eta vs tors. theta energy: -4.928 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: 6 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -86.097606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.097606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.097606 (E_RNA) where: Base-Base interactions energy: -39.558 where: short stacking energy: -39.558 Base-Backbone interact. energy: -0.002 local terms energy: -46.538010 where: bonds (distance) C4'-P energy: -3.302 bonds (distance) P-C4' energy: -13.096 flat angles C4'-P-C4' energy: -10.851 flat angles P-C4'-P energy: -8.308 tors. eta vs tors. theta energy: -10.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -87.525347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.525347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.525347 (E_RNA) where: Base-Base interactions energy: -50.293 where: short stacking energy: -30.678 Base-Backbone interact. energy: -0.459 local terms energy: -36.773637 where: bonds (distance) C4'-P energy: -12.422 bonds (distance) P-C4' energy: -12.620 flat angles C4'-P-C4' energy: -1.756 flat angles P-C4'-P energy: -7.198 tors. eta vs tors. theta energy: -2.779 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: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -77.144276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.144276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.144276 (E_RNA) where: Base-Base interactions energy: -37.508 where: short stacking energy: -31.966 Base-Backbone interact. energy: -0.163 local terms energy: -39.473394 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -11.882 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: -3.459 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: 4 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -168.037814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.037814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.037814 (E_RNA) where: Base-Base interactions energy: -104.010 where: short stacking energy: -67.125 Base-Backbone interact. energy: -0.002 local terms energy: -64.024883 where: bonds (distance) C4'-P energy: -10.550 bonds (distance) P-C4' energy: -11.861 flat angles C4'-P-C4' energy: -14.917 flat angles P-C4'-P energy: -8.335 tors. eta vs tors. theta energy: -18.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -165.608562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.608562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.608562 (E_RNA) where: Base-Base interactions energy: -100.626 where: short stacking energy: -66.082 Base-Backbone interact. energy: -0.002 local terms energy: -64.979873 where: bonds (distance) C4'-P energy: -12.761 bonds (distance) P-C4' energy: -14.201 flat angles C4'-P-C4' energy: -13.983 flat angles P-C4'-P energy: -11.233 tors. eta vs tors. theta energy: -12.802 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: 2 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -156.019010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.019010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.019010 (E_RNA) where: Base-Base interactions energy: -94.996 where: short stacking energy: -59.080 Base-Backbone interact. energy: -0.004 local terms energy: -61.018513 where: bonds (distance) C4'-P energy: -13.577 bonds (distance) P-C4' energy: -11.886 flat angles C4'-P-C4' energy: -13.894 flat angles P-C4'-P energy: -9.388 tors. eta vs tors. theta energy: -12.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -147.500103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.500103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.500103 (E_RNA) where: Base-Base interactions energy: -90.655 where: short stacking energy: -50.620 Base-Backbone interact. energy: -0.123 local terms energy: -56.722031 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -11.902 flat angles C4'-P-C4' energy: -14.034 flat angles P-C4'-P energy: -6.339 tors. eta vs tors. theta energy: -12.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -103.092400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.092400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.092400 (E_RNA) where: Base-Base interactions energy: -54.194 where: short stacking energy: -54.194 Base-Backbone interact. energy: 1.708 local terms energy: -50.605576 where: bonds (distance) C4'-P energy: -10.758 bonds (distance) P-C4' energy: -11.757 flat angles C4'-P-C4' energy: -11.807 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -11.258 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: 6, replica: 9 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -101.158000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.158000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.158000 (E_RNA) where: Base-Base interactions energy: -47.674 where: short stacking energy: -41.246 Base-Backbone interact. energy: 0.417 local terms energy: -53.900594 where: bonds (distance) C4'-P energy: -10.667 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -15.006 flat angles P-C4'-P energy: -9.523 tors. eta vs tors. theta energy: -5.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -96.592538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.592538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.592538 (E_RNA) where: Base-Base interactions energy: -45.350 where: short stacking energy: -40.737 Base-Backbone interact. energy: -0.022 local terms energy: -51.220695 where: bonds (distance) C4'-P energy: -14.173 bonds (distance) P-C4' energy: -13.775 flat angles C4'-P-C4' energy: -9.502 flat angles P-C4'-P energy: -7.112 tors. eta vs tors. theta energy: -6.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -98.339766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.339766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.339766 (E_RNA) where: Base-Base interactions energy: -43.661 where: short stacking energy: -32.086 Base-Backbone interact. energy: -0.344 local terms energy: -54.334565 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -12.344 flat angles P-C4'-P energy: -7.822 tors. eta vs tors. theta energy: -6.807 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: 10 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -78.360107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.360107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.360107 (E_RNA) where: Base-Base interactions energy: -26.586 where: short stacking energy: -19.153 Base-Backbone interact. energy: 0.391 local terms energy: -52.165107 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -12.688 flat angles C4'-P-C4' energy: -13.203 flat angles P-C4'-P energy: -9.494 tors. eta vs tors. theta energy: -3.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -71.276213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.276213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.276213 (E_RNA) where: Base-Base interactions energy: -30.877 where: short stacking energy: -25.665 Base-Backbone interact. energy: -0.848 local terms energy: -39.550397 where: bonds (distance) C4'-P energy: -0.890 bonds (distance) P-C4' energy: -12.778 flat angles C4'-P-C4' energy: -13.170 flat angles P-C4'-P energy: -7.399 tors. eta vs tors. theta energy: -5.313 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: 1, replica: 4 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -165.710622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.710622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.710622 (E_RNA) where: Base-Base interactions energy: -101.359 where: short stacking energy: -65.692 Base-Backbone interact. energy: -0.557 local terms energy: -63.794092 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -11.938 flat angles C4'-P-C4' energy: -14.061 flat angles P-C4'-P energy: -6.489 tors. eta vs tors. theta energy: -17.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -153.117231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.117231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.117231 (E_RNA) where: Base-Base interactions energy: -97.635 where: short stacking energy: -52.851 Base-Backbone interact. energy: -0.050 local terms energy: -55.432268 where: bonds (distance) C4'-P energy: -10.244 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -11.691 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -15.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -145.286593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.286593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.286593 (E_RNA) where: Base-Base interactions energy: -91.173 where: short stacking energy: -59.789 Base-Backbone interact. energy: -0.009 local terms energy: -54.104367 where: bonds (distance) C4'-P energy: -9.792 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -8.596 tors. eta vs tors. theta energy: -14.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -95.667573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.667573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.667573 (E_RNA) where: Base-Base interactions energy: -43.885 where: short stacking energy: -38.914 Base-Backbone interact. energy: -0.110 local terms energy: -51.672425 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -15.455 flat angles C4'-P-C4' energy: -12.818 flat angles P-C4'-P energy: -2.979 tors. eta vs tors. theta energy: -6.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -137.822516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.822516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.822516 (E_RNA) where: Base-Base interactions energy: -78.073 where: short stacking energy: -44.747 Base-Backbone interact. energy: -0.403 local terms energy: -59.346325 where: bonds (distance) C4'-P energy: -12.670 bonds (distance) P-C4' energy: -11.089 flat angles C4'-P-C4' energy: -13.586 flat angles P-C4'-P energy: -9.859 tors. eta vs tors. theta energy: -12.142 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: 6, replica: 9 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -90.952473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.952473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.952473 (E_RNA) where: Base-Base interactions energy: -39.289 where: short stacking energy: -35.163 Base-Backbone interact. energy: -0.068 local terms energy: -51.595195 where: bonds (distance) C4'-P energy: -13.153 bonds (distance) P-C4' energy: -12.719 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -9.848 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: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -82.097448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.097448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.097448 (E_RNA) where: Base-Base interactions energy: -37.906 where: short stacking energy: -37.464 Base-Backbone interact. energy: -0.126 local terms energy: -44.064756 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -4.743 flat angles C4'-P-C4' energy: -8.254 flat angles P-C4'-P energy: -7.452 tors. eta vs tors. theta energy: -9.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -81.468572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.468572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.468572 (E_RNA) where: Base-Base interactions energy: -36.833 where: short stacking energy: -37.120 Base-Backbone interact. energy: 0.346 local terms energy: -44.981473 where: bonds (distance) C4'-P energy: -9.582 bonds (distance) P-C4' energy: -10.944 flat angles C4'-P-C4' energy: -11.405 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -9.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -77.723545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.723545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.723545 (E_RNA) where: Base-Base interactions energy: -36.459 where: short stacking energy: -19.378 Base-Backbone interact. energy: -0.193 local terms energy: -41.071438 where: bonds (distance) C4'-P energy: -8.869 bonds (distance) P-C4' energy: -13.360 flat angles C4'-P-C4' energy: -11.160 flat angles P-C4'-P energy: -9.673 tors. eta vs tors. theta energy: 1.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -73.234919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.234919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.234919 (E_RNA) where: Base-Base interactions energy: -31.143 where: short stacking energy: -30.248 Base-Backbone interact. energy: -0.124 local terms energy: -41.968263 where: bonds (distance) C4'-P energy: -10.561 bonds (distance) P-C4' energy: -13.033 flat angles C4'-P-C4' energy: -12.328 flat angles P-C4'-P energy: -5.244 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: 4 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -150.718789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.718789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.718789 (E_RNA) where: Base-Base interactions energy: -90.100 where: short stacking energy: -57.165 Base-Backbone interact. energy: -0.000 local terms energy: -60.618590 where: bonds (distance) C4'-P energy: -10.235 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -13.395 flat angles P-C4'-P energy: -9.390 tors. eta vs tors. theta energy: -12.297 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: 2 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -144.902915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.902915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.902915 (E_RNA) where: Base-Base interactions energy: -81.089 where: short stacking energy: -47.248 Base-Backbone interact. energy: -0.006 local terms energy: -63.807723 where: bonds (distance) C4'-P energy: -14.682 bonds (distance) P-C4' energy: -15.480 flat angles C4'-P-C4' energy: -13.388 flat angles P-C4'-P energy: -11.200 tors. eta vs tors. theta energy: -9.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -149.722771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.722771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.722771 (E_RNA) where: Base-Base interactions energy: -95.953 where: short stacking energy: -68.572 Base-Backbone interact. energy: -0.049 local terms energy: -53.721050 where: bonds (distance) C4'-P energy: -9.196 bonds (distance) P-C4' energy: -14.141 flat angles C4'-P-C4' energy: -12.935 flat angles P-C4'-P energy: -5.895 tors. eta vs tors. theta energy: -11.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -106.641802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.641802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.641802 (E_RNA) where: Base-Base interactions energy: -53.982 where: short stacking energy: -48.079 Base-Backbone interact. energy: -0.009 local terms energy: -52.651171 where: bonds (distance) C4'-P energy: -5.988 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -10.888 flat angles P-C4'-P energy: -8.139 tors. eta vs tors. theta energy: -13.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -131.340970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.340970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.340970 (E_RNA) where: Base-Base interactions energy: -72.444 where: short stacking energy: -47.705 Base-Backbone interact. energy: -0.600 local terms energy: -58.297219 where: bonds (distance) C4'-P energy: -10.503 bonds (distance) P-C4' energy: -15.219 flat angles C4'-P-C4' energy: -13.178 flat angles P-C4'-P energy: -10.387 tors. eta vs tors. theta energy: -9.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -94.271270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.271270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.271270 (E_RNA) where: Base-Base interactions energy: -42.914 where: short stacking energy: -42.914 Base-Backbone interact. energy: -0.015 local terms energy: -51.342475 where: bonds (distance) C4'-P energy: -6.617 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -10.242 flat angles P-C4'-P energy: -7.018 tors. eta vs tors. theta energy: -11.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -86.788892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.788892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.788892 (E_RNA) where: Base-Base interactions energy: -42.614 where: short stacking energy: -35.454 Base-Backbone interact. energy: -0.017 local terms energy: -44.157627 where: bonds (distance) C4'-P energy: -9.566 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -11.619 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -4.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -72.358103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.358103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.358103 (E_RNA) where: Base-Base interactions energy: -23.981 where: short stacking energy: -17.346 Base-Backbone interact. energy: 0.780 local terms energy: -49.157256 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -12.103 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -5.847 tors. eta vs tors. theta energy: -4.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -92.824116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.824116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.824116 (E_RNA) where: Base-Base interactions energy: -41.854 where: short stacking energy: -41.851 Base-Backbone interact. energy: 1.456 local terms energy: -52.426321 where: bonds (distance) C4'-P energy: -9.681 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -13.379 flat angles P-C4'-P energy: -7.349 tors. eta vs tors. theta energy: -7.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -72.304057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.304057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.304057 (E_RNA) where: Base-Base interactions energy: -29.254 where: short stacking energy: -27.560 Base-Backbone interact. energy: -0.344 local terms energy: -42.706649 where: bonds (distance) C4'-P energy: -13.891 bonds (distance) P-C4' energy: -11.527 flat angles C4'-P-C4' energy: -10.769 flat angles P-C4'-P energy: -1.010 tors. eta vs tors. theta energy: -5.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -154.114408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.114408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.114408 (E_RNA) where: Base-Base interactions energy: -90.711 where: short stacking energy: -58.492 Base-Backbone interact. energy: -0.112 local terms energy: -63.291062 where: bonds (distance) C4'-P energy: -11.825 bonds (distance) P-C4' energy: -12.933 flat angles C4'-P-C4' energy: -15.177 flat angles P-C4'-P energy: -8.569 tors. eta vs tors. theta energy: -14.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -154.494087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.494087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.494087 (E_RNA) where: Base-Base interactions energy: -89.687 where: short stacking energy: -61.103 Base-Backbone interact. energy: -0.138 local terms energy: -64.668515 where: bonds (distance) C4'-P energy: -13.209 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -10.799 flat angles P-C4'-P energy: -9.355 tors. eta vs tors. theta energy: -17.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -149.563252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.563252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.563252 (E_RNA) where: Base-Base interactions energy: -85.693 where: short stacking energy: -57.866 Base-Backbone interact. energy: -0.018 local terms energy: -63.852754 where: bonds (distance) C4'-P energy: -11.027 bonds (distance) P-C4' energy: -13.133 flat angles C4'-P-C4' energy: -16.072 flat angles P-C4'-P energy: -8.266 tors. eta vs tors. theta energy: -15.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -140.128950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.128950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.128950 (E_RNA) where: Base-Base interactions energy: -87.638 where: short stacking energy: -55.743 Base-Backbone interact. energy: -0.032 local terms energy: -52.459566 where: bonds (distance) C4'-P energy: -11.962 bonds (distance) P-C4' energy: -10.443 flat angles C4'-P-C4' energy: -12.046 flat angles P-C4'-P energy: -3.069 tors. eta vs tors. theta energy: -14.939 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: 7 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -104.287017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.287017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.287017 (E_RNA) where: Base-Base interactions energy: -59.670 where: short stacking energy: -30.671 Base-Backbone interact. energy: 0.149 local terms energy: -44.766022 where: bonds (distance) C4'-P energy: -8.558 bonds (distance) P-C4' energy: -15.115 flat angles C4'-P-C4' energy: -8.953 flat angles P-C4'-P energy: -9.369 tors. eta vs tors. theta energy: -2.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -102.921632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.921632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.921632 (E_RNA) where: Base-Base interactions energy: -57.288 where: short stacking energy: -38.194 Base-Backbone interact. energy: -0.075 local terms energy: -45.558471 where: bonds (distance) C4'-P energy: -14.363 bonds (distance) P-C4' energy: -12.926 flat angles C4'-P-C4' energy: -9.481 flat angles P-C4'-P energy: -2.387 tors. eta vs tors. theta energy: -6.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -77.182037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.182037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.182037 (E_RNA) where: Base-Base interactions energy: -36.161 where: short stacking energy: -33.300 Base-Backbone interact. energy: 0.396 local terms energy: -41.417717 where: bonds (distance) C4'-P energy: -11.486 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -11.339 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -1.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -89.393302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.393302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.393302 (E_RNA) where: Base-Base interactions energy: -34.772 where: short stacking energy: -34.772 Base-Backbone interact. energy: -0.337 local terms energy: -54.285244 where: bonds (distance) C4'-P energy: -15.191 bonds (distance) P-C4' energy: -13.524 flat angles C4'-P-C4' energy: -11.590 flat angles P-C4'-P energy: -6.777 tors. eta vs tors. theta energy: -7.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -88.852678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.852678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.852678 (E_RNA) where: Base-Base interactions energy: -37.938 where: short stacking energy: -37.797 Base-Backbone interact. energy: -0.002 local terms energy: -50.912813 where: bonds (distance) C4'-P energy: -8.680 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -6.684 flat angles P-C4'-P energy: -10.672 tors. eta vs tors. theta energy: -9.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -68.142342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.142342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.142342 (E_RNA) where: Base-Base interactions energy: -17.573 where: short stacking energy: -16.694 Base-Backbone interact. energy: -0.275 local terms energy: -50.294844 where: bonds (distance) C4'-P energy: -12.727 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -12.340 flat angles P-C4'-P energy: -10.347 tors. eta vs tors. theta energy: 0.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -168.586208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.586208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.586208 (E_RNA) where: Base-Base interactions energy: -103.306 where: short stacking energy: -60.805 Base-Backbone interact. energy: -0.001 local terms energy: -65.279191 where: bonds (distance) C4'-P energy: -13.403 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -14.489 flat angles P-C4'-P energy: -8.936 tors. eta vs tors. theta energy: -14.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -154.532574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.532574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.532574 (E_RNA) where: Base-Base interactions energy: -90.998 where: short stacking energy: -60.510 Base-Backbone interact. energy: -0.062 local terms energy: -63.472304 where: bonds (distance) C4'-P energy: -13.084 bonds (distance) P-C4' energy: -13.915 flat angles C4'-P-C4' energy: -11.871 flat angles P-C4'-P energy: -9.261 tors. eta vs tors. theta energy: -15.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -157.437657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.437657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.437657 (E_RNA) where: Base-Base interactions energy: -98.560 where: short stacking energy: -62.208 Base-Backbone interact. energy: -0.003 local terms energy: -58.874984 where: bonds (distance) C4'-P energy: -11.076 bonds (distance) P-C4' energy: -10.449 flat angles C4'-P-C4' energy: -10.991 flat angles P-C4'-P energy: -11.923 tors. eta vs tors. theta energy: -14.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -130.429825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.429825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.429825 (E_RNA) where: Base-Base interactions energy: -74.081 where: short stacking energy: -46.518 Base-Backbone interact. energy: -0.022 local terms energy: -56.327076 where: bonds (distance) C4'-P energy: -12.133 bonds (distance) P-C4' energy: -14.734 flat angles C4'-P-C4' energy: -13.965 flat angles P-C4'-P energy: -6.587 tors. eta vs tors. theta energy: -8.908 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: 10 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -101.079972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.079972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.079972 (E_RNA) where: Base-Base interactions energy: -53.148 where: short stacking energy: -38.762 Base-Backbone interact. energy: 0.441 local terms energy: -48.373627 where: bonds (distance) C4'-P energy: -11.489 bonds (distance) P-C4' energy: -14.320 flat angles C4'-P-C4' energy: -10.142 flat angles P-C4'-P energy: -5.936 tors. eta vs tors. theta energy: -6.486 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: 7 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -101.200962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.200962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.200962 (E_RNA) where: Base-Base interactions energy: -49.298 where: short stacking energy: -31.440 Base-Backbone interact. energy: -1.101 local terms energy: -50.801608 where: bonds (distance) C4'-P energy: -13.047 bonds (distance) P-C4' energy: -12.183 flat angles C4'-P-C4' energy: -11.619 flat angles P-C4'-P energy: -9.601 tors. eta vs tors. theta energy: -4.352 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: 3 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -89.693742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.693742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.693742 (E_RNA) where: Base-Base interactions energy: -40.480 where: short stacking energy: -40.457 Base-Backbone interact. energy: -0.232 local terms energy: -48.981575 where: bonds (distance) C4'-P energy: -10.533 bonds (distance) P-C4' energy: -9.208 flat angles C4'-P-C4' energy: -11.618 flat angles P-C4'-P energy: -12.065 tors. eta vs tors. theta energy: -5.557 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: 202 Temperature: 1.250000 Total energy: -76.653984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.653984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.653984 (E_RNA) where: Base-Base interactions energy: -24.489 where: short stacking energy: -24.443 Base-Backbone interact. energy: -0.063 local terms energy: -52.101187 where: bonds (distance) C4'-P energy: -13.685 bonds (distance) P-C4' energy: -13.406 flat angles C4'-P-C4' energy: -10.816 flat angles P-C4'-P energy: -11.178 tors. eta vs tors. theta energy: -3.017 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: 6 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -86.972940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.972940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.972940 (E_RNA) where: Base-Base interactions energy: -35.390 where: short stacking energy: -35.390 Base-Backbone interact. energy: -0.019 local terms energy: -51.563985 where: bonds (distance) C4'-P energy: -10.393 bonds (distance) P-C4' energy: -13.010 flat angles C4'-P-C4' energy: -9.290 flat angles P-C4'-P energy: -8.514 tors. eta vs tors. theta energy: -10.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -76.295591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.295591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.295591 (E_RNA) where: Base-Base interactions energy: -28.949 where: short stacking energy: -24.540 Base-Backbone interact. energy: -0.126 local terms energy: -47.221491 where: bonds (distance) C4'-P energy: -11.754 bonds (distance) P-C4' energy: -12.491 flat angles C4'-P-C4' energy: -12.917 flat angles P-C4'-P energy: -7.037 tors. eta vs tors. theta energy: -3.023 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: 1, replica: 4 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -158.020663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.020663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.020663 (E_RNA) where: Base-Base interactions energy: -99.136 where: short stacking energy: -50.401 Base-Backbone interact. energy: -0.008 local terms energy: -58.876472 where: bonds (distance) C4'-P energy: -14.207 bonds (distance) P-C4' energy: -11.982 flat angles C4'-P-C4' energy: -11.811 flat angles P-C4'-P energy: -7.773 tors. eta vs tors. theta energy: -13.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -148.449194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.449194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.449194 (E_RNA) where: Base-Base interactions energy: -88.580 where: short stacking energy: -51.337 Base-Backbone interact. energy: 0.239 local terms energy: -60.108605 where: bonds (distance) C4'-P energy: -12.853 bonds (distance) P-C4' energy: -13.985 flat angles C4'-P-C4' energy: -12.460 flat angles P-C4'-P energy: -12.165 tors. eta vs tors. theta energy: -8.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -149.441311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.441311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.441311 (E_RNA) where: Base-Base interactions energy: -91.137 where: short stacking energy: -53.867 Base-Backbone interact. energy: -0.165 local terms energy: -58.138857 where: bonds (distance) C4'-P energy: -13.332 bonds (distance) P-C4' energy: -12.367 flat angles C4'-P-C4' energy: -14.255 flat angles P-C4'-P energy: -7.408 tors. eta vs tors. theta energy: -10.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -126.282057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.282057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.282057 (E_RNA) where: Base-Base interactions energy: -74.516 where: short stacking energy: -37.839 Base-Backbone interact. energy: -0.554 local terms energy: -51.212915 where: bonds (distance) C4'-P energy: -11.946 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -12.553 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -6.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -131.847242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.847242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.847242 (E_RNA) where: Base-Base interactions energy: -76.422 where: short stacking energy: -42.727 Base-Backbone interact. energy: -0.142 local terms energy: -55.283335 where: bonds (distance) C4'-P energy: -12.690 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -11.268 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -11.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -88.031199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.031199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.031199 (E_RNA) where: Base-Base interactions energy: -45.597 where: short stacking energy: -42.214 Base-Backbone interact. energy: -0.003 local terms energy: -42.431260 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -7.518 flat angles P-C4'-P energy: -9.679 tors. eta vs tors. theta energy: -6.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -93.796263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.796263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.796263 (E_RNA) where: Base-Base interactions energy: -51.186 where: short stacking energy: -26.381 Base-Backbone interact. energy: -0.871 local terms energy: -41.739088 where: bonds (distance) C4'-P energy: -9.184 bonds (distance) P-C4' energy: -11.797 flat angles C4'-P-C4' energy: -11.341 flat angles P-C4'-P energy: -2.368 tors. eta vs tors. theta energy: -7.049 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: 6 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -90.389151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.389151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.389151 (E_RNA) where: Base-Base interactions energy: -39.720 where: short stacking energy: -37.965 Base-Backbone interact. energy: 0.185 local terms energy: -50.853944 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -11.630 flat angles C4'-P-C4' energy: -11.917 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -8.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -76.777244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.777244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.777244 (E_RNA) where: Base-Base interactions energy: -37.107 where: short stacking energy: -32.811 Base-Backbone interact. energy: -0.055 local terms energy: -39.614608 where: bonds (distance) C4'-P energy: -10.562 bonds (distance) P-C4' energy: -8.493 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -6.874 tors. eta vs tors. theta energy: -6.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -66.914574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.914574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.914574 (E_RNA) where: Base-Base interactions energy: -31.338 where: short stacking energy: -24.721 Base-Backbone interact. energy: 0.553 local terms energy: -36.130205 where: bonds (distance) C4'-P energy: -13.361 bonds (distance) P-C4' energy: -15.338 flat angles C4'-P-C4' energy: -8.199 flat angles P-C4'-P energy: -1.482 tors. eta vs tors. theta energy: 2.250 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: 1 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -161.316401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.316401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.316401 (E_RNA) where: Base-Base interactions energy: -103.356 where: short stacking energy: -62.544 Base-Backbone interact. energy: -0.001 local terms energy: -57.959391 where: bonds (distance) C4'-P energy: -13.697 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -13.168 flat angles P-C4'-P energy: -10.345 tors. eta vs tors. theta energy: -12.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -151.640291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.640291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.640291 (E_RNA) where: Base-Base interactions energy: -90.467 where: short stacking energy: -58.863 Base-Backbone interact. energy: -0.000 local terms energy: -61.172850 where: bonds (distance) C4'-P energy: -11.917 bonds (distance) P-C4' energy: -12.380 flat angles C4'-P-C4' energy: -15.213 flat angles P-C4'-P energy: -8.892 tors. eta vs tors. theta energy: -12.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -150.995288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.995288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.995288 (E_RNA) where: Base-Base interactions energy: -91.788 where: short stacking energy: -63.236 Base-Backbone interact. energy: -0.020 local terms energy: -59.187208 where: bonds (distance) C4'-P energy: -9.188 bonds (distance) P-C4' energy: -13.642 flat angles C4'-P-C4' energy: -11.552 flat angles P-C4'-P energy: -11.648 tors. eta vs tors. theta energy: -13.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -145.629742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.629742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.629742 (E_RNA) where: Base-Base interactions energy: -89.686 where: short stacking energy: -58.860 Base-Backbone interact. energy: -0.041 local terms energy: -55.903026 where: bonds (distance) C4'-P energy: -12.033 bonds (distance) P-C4' energy: -9.840 flat angles C4'-P-C4' energy: -14.387 flat angles P-C4'-P energy: -7.395 tors. eta vs tors. theta energy: -12.247 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: 3 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -93.653456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.653456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.653456 (E_RNA) where: Base-Base interactions energy: -42.461 where: short stacking energy: -42.461 Base-Backbone interact. energy: -0.042 local terms energy: -51.150534 where: bonds (distance) C4'-P energy: -8.766 bonds (distance) P-C4' energy: -13.132 flat angles C4'-P-C4' energy: -11.515 flat angles P-C4'-P energy: -9.741 tors. eta vs tors. theta energy: -7.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -103.678199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.678199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.678199 (E_RNA) where: Base-Base interactions energy: -48.800 where: short stacking energy: -44.321 Base-Backbone interact. energy: 3.532 local terms energy: -58.410693 where: bonds (distance) C4'-P energy: -10.290 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -13.225 flat angles P-C4'-P energy: -8.656 tors. eta vs tors. theta energy: -10.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -128.782356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.782356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.782356 (E_RNA) where: Base-Base interactions energy: -80.331 where: short stacking energy: -51.785 Base-Backbone interact. energy: -0.004 local terms energy: -48.448133 where: bonds (distance) C4'-P energy: -13.705 bonds (distance) P-C4' energy: -9.736 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -7.558 tors. eta vs tors. theta energy: -10.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -83.216300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.216300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.216300 (E_RNA) where: Base-Base interactions energy: -35.271 where: short stacking energy: -35.271 Base-Backbone interact. energy: -0.003 local terms energy: -47.942101 where: bonds (distance) C4'-P energy: -12.128 bonds (distance) P-C4' energy: -16.007 flat angles C4'-P-C4' energy: -10.256 flat angles P-C4'-P energy: -5.455 tors. eta vs tors. theta energy: -4.097 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: 8 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -80.094844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.094844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.094844 (E_RNA) where: Base-Base interactions energy: -33.836 where: short stacking energy: -26.915 Base-Backbone interact. energy: -0.112 local terms energy: -46.147676 where: bonds (distance) C4'-P energy: -14.355 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -12.475 flat angles P-C4'-P energy: -8.509 tors. eta vs tors. theta energy: 3.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -67.307717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.307717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.307717 (E_RNA) where: Base-Base interactions energy: -27.634 where: short stacking energy: -27.634 Base-Backbone interact. energy: -0.080 local terms energy: -39.593778 where: bonds (distance) C4'-P energy: -14.591 bonds (distance) P-C4' energy: -3.962 flat angles C4'-P-C4' energy: -9.632 flat angles P-C4'-P energy: -5.577 tors. eta vs tors. theta energy: -5.831 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: 1 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -170.069545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.069545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.069545 (E_RNA) where: Base-Base interactions energy: -105.639 where: short stacking energy: -67.491 Base-Backbone interact. energy: -0.633 local terms energy: -63.796871 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -10.907 flat angles C4'-P-C4' energy: -12.761 flat angles P-C4'-P energy: -11.621 tors. eta vs tors. theta energy: -14.058 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: 2, replica: 4 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -156.466667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.466667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.466667 (E_RNA) where: Base-Base interactions energy: -94.453 where: short stacking energy: -61.175 Base-Backbone interact. energy: -0.661 local terms energy: -61.352422 where: bonds (distance) C4'-P energy: -10.555 bonds (distance) P-C4' energy: -12.622 flat angles C4'-P-C4' energy: -14.159 flat angles P-C4'-P energy: -9.375 tors. eta vs tors. theta energy: -14.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -138.611326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.611326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.611326 (E_RNA) where: Base-Base interactions energy: -85.918 where: short stacking energy: -53.614 Base-Backbone interact. energy: 0.433 local terms energy: -53.126439 where: bonds (distance) C4'-P energy: -9.019 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -11.257 flat angles P-C4'-P energy: -7.307 tors. eta vs tors. theta energy: -12.252 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: 205 Temperature: 1.050000 Total energy: -158.022221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.022221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.022221 (E_RNA) where: Base-Base interactions energy: -90.741 where: short stacking energy: -53.444 Base-Backbone interact. energy: -0.204 local terms energy: -67.076946 where: bonds (distance) C4'-P energy: -15.075 bonds (distance) P-C4' energy: -13.118 flat angles C4'-P-C4' energy: -15.698 flat angles P-C4'-P energy: -10.302 tors. eta vs tors. theta energy: -12.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -95.718966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.718966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.718966 (E_RNA) where: Base-Base interactions energy: -46.519 where: short stacking energy: -46.519 Base-Backbone interact. energy: -0.020 local terms energy: -49.179355 where: bonds (distance) C4'-P energy: -8.961 bonds (distance) P-C4' energy: -11.922 flat angles C4'-P-C4' energy: -10.316 flat angles P-C4'-P energy: -8.437 tors. eta vs tors. theta energy: -9.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -137.485690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.485690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.485690 (E_RNA) where: Base-Base interactions energy: -76.120 where: short stacking energy: -44.480 Base-Backbone interact. energy: -0.028 local terms energy: -61.338511 where: bonds (distance) C4'-P energy: -13.781 bonds (distance) P-C4' energy: -14.353 flat angles C4'-P-C4' energy: -14.155 flat angles P-C4'-P energy: -9.501 tors. eta vs tors. theta energy: -9.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -97.463499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.463499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.463499 (E_RNA) where: Base-Base interactions energy: -44.969 where: short stacking energy: -38.779 Base-Backbone interact. energy: 1.292 local terms energy: -53.786687 where: bonds (distance) C4'-P energy: -8.020 bonds (distance) P-C4' energy: -15.162 flat angles C4'-P-C4' energy: -12.564 flat angles P-C4'-P energy: -8.053 tors. eta vs tors. theta energy: -9.987 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: 8, replica: 8 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -80.565053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.565053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.565053 (E_RNA) where: Base-Base interactions energy: -38.453 where: short stacking energy: -28.477 Base-Backbone interact. energy: -0.167 local terms energy: -41.944142 where: bonds (distance) C4'-P energy: -11.553 bonds (distance) P-C4' energy: -13.632 flat angles C4'-P-C4' energy: -7.818 flat angles P-C4'-P energy: -7.553 tors. eta vs tors. theta energy: -1.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -83.583290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.583290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.583290 (E_RNA) where: Base-Base interactions energy: -44.274 where: short stacking energy: -39.844 Base-Backbone interact. energy: -0.048 local terms energy: -39.261677 where: bonds (distance) C4'-P energy: -9.026 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -10.126 flat angles P-C4'-P energy: -1.911 tors. eta vs tors. theta energy: -5.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -71.231758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.231758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.231758 (E_RNA) where: Base-Base interactions energy: -29.580 where: short stacking energy: -29.580 Base-Backbone interact. energy: -0.781 local terms energy: -40.871591 where: bonds (distance) C4'-P energy: -13.324 bonds (distance) P-C4' energy: -8.957 flat angles C4'-P-C4' energy: -9.585 flat angles P-C4'-P energy: -7.318 tors. eta vs tors. theta energy: -1.687 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: 1, replica: 1 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -172.542819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.542819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.542819 (E_RNA) where: Base-Base interactions energy: -107.529 where: short stacking energy: -69.424 Base-Backbone interact. energy: -0.134 local terms energy: -64.880460 where: bonds (distance) C4'-P energy: -12.683 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -13.132 flat angles P-C4'-P energy: -8.781 tors. eta vs tors. theta energy: -15.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -157.503834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.503834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.503834 (E_RNA) where: Base-Base interactions energy: -93.736 where: short stacking energy: -66.179 Base-Backbone interact. energy: -0.183 local terms energy: -63.584493 where: bonds (distance) C4'-P energy: -10.462 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -15.764 flat angles P-C4'-P energy: -8.069 tors. eta vs tors. theta energy: -16.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -154.915600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.915600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.915600 (E_RNA) where: Base-Base interactions energy: -93.702 where: short stacking energy: -60.678 Base-Backbone interact. energy: -0.092 local terms energy: -61.121625 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -13.416 flat angles C4'-P-C4' energy: -12.999 flat angles P-C4'-P energy: -8.792 tors. eta vs tors. theta energy: -12.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -143.422008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.422008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.422008 (E_RNA) where: Base-Base interactions energy: -86.840 where: short stacking energy: -57.351 Base-Backbone interact. energy: 0.233 local terms energy: -56.815371 where: bonds (distance) C4'-P energy: -12.168 bonds (distance) P-C4' energy: -11.716 flat angles C4'-P-C4' energy: -13.856 flat angles P-C4'-P energy: -7.638 tors. eta vs tors. theta energy: -11.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -131.391114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.391114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.391114 (E_RNA) where: Base-Base interactions energy: -74.240 where: short stacking energy: -47.556 Base-Backbone interact. energy: -0.044 local terms energy: -57.106969 where: bonds (distance) C4'-P energy: -14.698 bonds (distance) P-C4' energy: -15.005 flat angles C4'-P-C4' energy: -13.192 flat angles P-C4'-P energy: -4.874 tors. eta vs tors. theta energy: -9.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -88.306730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.306730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.306730 (E_RNA) where: Base-Base interactions energy: -37.718 where: short stacking energy: -37.718 Base-Backbone interact. energy: -0.227 local terms energy: -50.362399 where: bonds (distance) C4'-P energy: -13.054 bonds (distance) P-C4' energy: -10.334 flat angles C4'-P-C4' energy: -11.952 flat angles P-C4'-P energy: -9.352 tors. eta vs tors. theta energy: -5.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -83.003730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.003730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.003730 (E_RNA) where: Base-Base interactions energy: -38.186 where: short stacking energy: -34.304 Base-Backbone interact. energy: -0.397 local terms energy: -44.421271 where: bonds (distance) C4'-P energy: -13.812 bonds (distance) P-C4' energy: -12.026 flat angles C4'-P-C4' energy: -12.493 flat angles P-C4'-P energy: -6.801 tors. eta vs tors. theta energy: 0.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -74.867174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.867174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.867174 (E_RNA) where: Base-Base interactions energy: -36.417 where: short stacking energy: -26.574 Base-Backbone interact. energy: -0.079 local terms energy: -38.371635 where: bonds (distance) C4'-P energy: -13.084 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -7.643 flat angles P-C4'-P energy: -0.919 tors. eta vs tors. theta energy: -2.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -73.303673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.303673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.303673 (E_RNA) where: Base-Base interactions energy: -39.566 where: short stacking energy: -29.711 Base-Backbone interact. energy: -0.219 local terms energy: -33.519010 where: bonds (distance) C4'-P energy: -7.610 bonds (distance) P-C4' energy: -8.843 flat angles C4'-P-C4' energy: -9.632 flat angles P-C4'-P energy: -7.118 tors. eta vs tors. theta energy: -0.315 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: 10, replica: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -86.550335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.550335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.550335 (E_RNA) where: Base-Base interactions energy: -34.986 where: short stacking energy: -30.594 Base-Backbone interact. energy: -0.077 local terms energy: -51.487239 where: bonds (distance) C4'-P energy: -9.034 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -12.248 flat angles P-C4'-P energy: -10.542 tors. eta vs tors. theta energy: -6.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -170.789777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.789777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.789777 (E_RNA) where: Base-Base interactions energy: -107.971 where: short stacking energy: -63.097 Base-Backbone interact. energy: -0.002 local terms energy: -62.816298 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -13.510 flat angles P-C4'-P energy: -9.085 tors. eta vs tors. theta energy: -14.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -152.537750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.537750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.537750 (E_RNA) where: Base-Base interactions energy: -89.267 where: short stacking energy: -50.439 Base-Backbone interact. energy: -0.670 local terms energy: -62.600117 where: bonds (distance) C4'-P energy: -14.972 bonds (distance) P-C4' energy: -9.074 flat angles C4'-P-C4' energy: -12.866 flat angles P-C4'-P energy: -9.464 tors. eta vs tors. theta energy: -16.225 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: 4 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -148.337405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.337405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.337405 (E_RNA) where: Base-Base interactions energy: -83.628 where: short stacking energy: -49.420 Base-Backbone interact. energy: -0.006 local terms energy: -64.703029 where: bonds (distance) C4'-P energy: -14.856 bonds (distance) P-C4' energy: -12.501 flat angles C4'-P-C4' energy: -15.007 flat angles P-C4'-P energy: -11.212 tors. eta vs tors. theta energy: -11.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -136.097846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.097846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.097846 (E_RNA) where: Base-Base interactions energy: -80.056 where: short stacking energy: -50.937 Base-Backbone interact. energy: -0.082 local terms energy: -55.959852 where: bonds (distance) C4'-P energy: -11.510 bonds (distance) P-C4' energy: -10.048 flat angles C4'-P-C4' energy: -13.506 flat angles P-C4'-P energy: -8.575 tors. eta vs tors. theta energy: -12.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -130.721746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.721746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.721746 (E_RNA) where: Base-Base interactions energy: -79.709 where: short stacking energy: -52.349 Base-Backbone interact. energy: -0.084 local terms energy: -50.929036 where: bonds (distance) C4'-P energy: -12.256 bonds (distance) P-C4' energy: -10.171 flat angles C4'-P-C4' energy: -11.615 flat angles P-C4'-P energy: -8.877 tors. eta vs tors. theta energy: -8.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -95.186784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.186784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.186784 (E_RNA) where: Base-Base interactions energy: -49.901 where: short stacking energy: -39.399 Base-Backbone interact. energy: 1.223 local terms energy: -46.508389 where: bonds (distance) C4'-P energy: -12.029 bonds (distance) P-C4' energy: -14.759 flat angles C4'-P-C4' energy: -12.242 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -3.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -87.589087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.589087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.589087 (E_RNA) where: Base-Base interactions energy: -34.235 where: short stacking energy: -31.575 Base-Backbone interact. energy: -0.088 local terms energy: -53.266702 where: bonds (distance) C4'-P energy: -13.846 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -10.652 flat angles P-C4'-P energy: -10.034 tors. eta vs tors. theta energy: -3.215 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: 6 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -81.401584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.401584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.401584 (E_RNA) where: Base-Base interactions energy: -36.828 where: short stacking energy: -26.066 Base-Backbone interact. energy: 0.579 local terms energy: -45.152313 where: bonds (distance) C4'-P energy: -7.951 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -11.666 flat angles P-C4'-P energy: -8.526 tors. eta vs tors. theta energy: -2.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -77.962772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.962772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.962772 (E_RNA) where: Base-Base interactions energy: -37.738 where: short stacking energy: -25.921 Base-Backbone interact. energy: -0.443 local terms energy: -39.782275 where: bonds (distance) C4'-P energy: -9.143 bonds (distance) P-C4' energy: -12.370 flat angles C4'-P-C4' energy: -10.471 flat angles P-C4'-P energy: -5.295 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: 10, replica: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -86.158297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.158297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.158297 (E_RNA) where: Base-Base interactions energy: -44.385 where: short stacking energy: -32.807 Base-Backbone interact. energy: -0.249 local terms energy: -41.524457 where: bonds (distance) C4'-P energy: -6.795 bonds (distance) P-C4' energy: -12.682 flat angles C4'-P-C4' energy: -13.627 flat angles P-C4'-P energy: -6.482 tors. eta vs tors. theta energy: -1.938 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: 1, replica: 2 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -161.386789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.386789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.386789 (E_RNA) where: Base-Base interactions energy: -98.446 where: short stacking energy: -60.507 Base-Backbone interact. energy: -0.522 local terms energy: -62.419042 where: bonds (distance) C4'-P energy: -12.257 bonds (distance) P-C4' energy: -14.321 flat angles C4'-P-C4' energy: -13.358 flat angles P-C4'-P energy: -8.823 tors. eta vs tors. theta energy: -13.660 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: 1 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -160.580850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.580850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.580850 (E_RNA) where: Base-Base interactions energy: -100.077 where: short stacking energy: -53.971 Base-Backbone interact. energy: -0.148 local terms energy: -60.356398 where: bonds (distance) C4'-P energy: -13.092 bonds (distance) P-C4' energy: -11.302 flat angles C4'-P-C4' energy: -13.791 flat angles P-C4'-P energy: -8.802 tors. eta vs tors. theta energy: -13.369 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: 5 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -147.479722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.479722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.479722 (E_RNA) where: Base-Base interactions energy: -87.739 where: short stacking energy: -57.408 Base-Backbone interact. energy: -0.013 local terms energy: -59.728205 where: bonds (distance) C4'-P energy: -13.079 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -14.237 flat angles P-C4'-P energy: -8.044 tors. eta vs tors. theta energy: -9.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -135.306156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.306156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.306156 (E_RNA) where: Base-Base interactions energy: -77.117 where: short stacking energy: -41.867 Base-Backbone interact. energy: -0.089 local terms energy: -58.100025 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -12.617 flat angles C4'-P-C4' energy: -14.006 flat angles P-C4'-P energy: -6.891 tors. eta vs tors. theta energy: -10.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -93.226113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.226113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.226113 (E_RNA) where: Base-Base interactions energy: -36.145 where: short stacking energy: -36.545 Base-Backbone interact. energy: -0.097 local terms energy: -56.984154 where: bonds (distance) C4'-P energy: -13.179 bonds (distance) P-C4' energy: -15.175 flat angles C4'-P-C4' energy: -12.628 flat angles P-C4'-P energy: -9.142 tors. eta vs tors. theta energy: -6.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -126.134080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.134080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.134080 (E_RNA) where: Base-Base interactions energy: -72.582 where: short stacking energy: -44.433 Base-Backbone interact. energy: -0.003 local terms energy: -53.549173 where: bonds (distance) C4'-P energy: -10.013 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -9.473 flat angles P-C4'-P energy: -11.799 tors. eta vs tors. theta energy: -7.383 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: 10 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -111.390010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.390010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.390010 (E_RNA) where: Base-Base interactions energy: -57.332 where: short stacking energy: -36.813 Base-Backbone interact. energy: -0.096 local terms energy: -53.962042 where: bonds (distance) C4'-P energy: -7.291 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -13.730 flat angles P-C4'-P energy: -11.516 tors. eta vs tors. theta energy: -11.879 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: 6 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -85.451922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.451922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.451922 (E_RNA) where: Base-Base interactions energy: -36.273 where: short stacking energy: -36.273 Base-Backbone interact. energy: -0.090 local terms energy: -49.089081 where: bonds (distance) C4'-P energy: -12.761 bonds (distance) P-C4' energy: -12.920 flat angles C4'-P-C4' energy: -11.141 flat angles P-C4'-P energy: -6.345 tors. eta vs tors. theta energy: -5.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -99.796450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.796450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.796450 (E_RNA) where: Base-Base interactions energy: -50.765 where: short stacking energy: -40.062 Base-Backbone interact. energy: -0.115 local terms energy: -48.916560 where: bonds (distance) C4'-P energy: -7.598 bonds (distance) P-C4' energy: -12.995 flat angles C4'-P-C4' energy: -9.422 flat angles P-C4'-P energy: -6.622 tors. eta vs tors. theta energy: -12.279 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: 8 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -78.580065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.580065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.580065 (E_RNA) where: Base-Base interactions energy: -32.571 where: short stacking energy: -32.571 Base-Backbone interact. energy: 0.550 local terms energy: -46.558738 where: bonds (distance) C4'-P energy: -9.706 bonds (distance) P-C4' energy: -11.582 flat angles C4'-P-C4' energy: -12.568 flat angles P-C4'-P energy: -6.439 tors. eta vs tors. theta energy: -6.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -159.223060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.223060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.223060 (E_RNA) where: Base-Base interactions energy: -96.573 where: short stacking energy: -60.445 Base-Backbone interact. energy: -0.000 local terms energy: -62.649932 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -13.843 flat angles C4'-P-C4' energy: -13.214 flat angles P-C4'-P energy: -10.884 tors. eta vs tors. theta energy: -11.985 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: 1 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -163.955538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.955538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.955538 (E_RNA) where: Base-Base interactions energy: -97.525 where: short stacking energy: -64.376 Base-Backbone interact. energy: -0.027 local terms energy: -66.403126 where: bonds (distance) C4'-P energy: -15.597 bonds (distance) P-C4' energy: -12.127 flat angles C4'-P-C4' energy: -12.364 flat angles P-C4'-P energy: -10.985 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: 3, replica: 5 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -137.635847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.635847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.635847 (E_RNA) where: Base-Base interactions energy: -86.797 where: short stacking energy: -56.986 Base-Backbone interact. energy: -0.111 local terms energy: -50.727263 where: bonds (distance) C4'-P energy: -10.460 bonds (distance) P-C4' energy: -13.091 flat angles C4'-P-C4' energy: -11.194 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: -10.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -130.386197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.386197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.386197 (E_RNA) where: Base-Base interactions energy: -75.858 where: short stacking energy: -47.590 Base-Backbone interact. energy: -0.451 local terms energy: -54.077294 where: bonds (distance) C4'-P energy: -13.759 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -12.624 flat angles P-C4'-P energy: -4.840 tors. eta vs tors. theta energy: -7.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -97.956562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.956562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.956562 (E_RNA) where: Base-Base interactions energy: -45.969 where: short stacking energy: -39.384 Base-Backbone interact. energy: -1.112 local terms energy: -50.875951 where: bonds (distance) C4'-P energy: -10.314 bonds (distance) P-C4' energy: -12.657 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -7.791 tors. eta vs tors. theta energy: -7.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -103.252582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.252582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.252582 (E_RNA) where: Base-Base interactions energy: -49.486 where: short stacking energy: -44.919 Base-Backbone interact. energy: -0.099 local terms energy: -53.667674 where: bonds (distance) C4'-P energy: -11.196 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -10.994 flat angles P-C4'-P energy: -6.466 tors. eta vs tors. theta energy: -9.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -117.776392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.776392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.776392 (E_RNA) where: Base-Base interactions energy: -63.151 where: short stacking energy: -38.765 Base-Backbone interact. energy: -0.736 local terms energy: -53.889762 where: bonds (distance) C4'-P energy: -11.441 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -12.789 flat angles P-C4'-P energy: -7.948 tors. eta vs tors. theta energy: -8.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -96.497361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.497361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.497361 (E_RNA) where: Base-Base interactions energy: -47.399 where: short stacking energy: -47.399 Base-Backbone interact. energy: -0.108 local terms energy: -48.990098 where: bonds (distance) C4'-P energy: -9.800 bonds (distance) P-C4' energy: -15.932 flat angles C4'-P-C4' energy: -9.856 flat angles P-C4'-P energy: -5.674 tors. eta vs tors. theta energy: -7.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -73.522774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.522774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.522774 (E_RNA) where: Base-Base interactions energy: -31.951 where: short stacking energy: -20.866 Base-Backbone interact. energy: -0.103 local terms energy: -41.468736 where: bonds (distance) C4'-P energy: -8.798 bonds (distance) P-C4' energy: -13.826 flat angles C4'-P-C4' energy: -8.990 flat angles P-C4'-P energy: -6.887 tors. eta vs tors. theta energy: -2.968 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: 8 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -73.532988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.532988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.532988 (E_RNA) where: Base-Base interactions energy: -36.508 where: short stacking energy: -31.850 Base-Backbone interact. energy: -0.192 local terms energy: -36.832851 where: bonds (distance) C4'-P energy: -9.061 bonds (distance) P-C4' energy: -12.099 flat angles C4'-P-C4' energy: -12.164 flat angles P-C4'-P energy: -5.510 tors. eta vs tors. theta energy: 2.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -144.857332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.857332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.857332 (E_RNA) where: Base-Base interactions energy: -87.908 where: short stacking energy: -47.918 Base-Backbone interact. energy: -0.894 local terms energy: -56.055333 where: bonds (distance) C4'-P energy: -14.430 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -15.455 flat angles P-C4'-P energy: -4.992 tors. eta vs tors. theta energy: -7.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -150.793267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.793267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.793267 (E_RNA) where: Base-Base interactions energy: -93.040 where: short stacking energy: -58.255 Base-Backbone interact. energy: -0.260 local terms energy: -57.493776 where: bonds (distance) C4'-P energy: -11.123 bonds (distance) P-C4' energy: -12.470 flat angles C4'-P-C4' energy: -11.181 flat angles P-C4'-P energy: -11.436 tors. eta vs tors. theta energy: -11.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -131.957307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.957307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.957307 (E_RNA) where: Base-Base interactions energy: -77.624 where: short stacking energy: -47.363 Base-Backbone interact. energy: -0.243 local terms energy: -54.090801 where: bonds (distance) C4'-P energy: -14.380 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -12.130 flat angles P-C4'-P energy: -8.228 tors. eta vs tors. theta energy: -6.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -143.503917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.503917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.503917 (E_RNA) where: Base-Base interactions energy: -82.068 where: short stacking energy: -46.482 Base-Backbone interact. energy: -0.022 local terms energy: -61.413377 where: bonds (distance) C4'-P energy: -11.727 bonds (distance) P-C4' energy: -16.722 flat angles C4'-P-C4' energy: -15.459 flat angles P-C4'-P energy: -7.636 tors. eta vs tors. theta energy: -9.870 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: 210 Temperature: 1.100000 Total energy: -106.423197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.423197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.423197 (E_RNA) where: Base-Base interactions energy: -53.863 where: short stacking energy: -38.857 Base-Backbone interact. energy: -0.055 local terms energy: -52.505477 where: bonds (distance) C4'-P energy: -11.316 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -14.004 flat angles P-C4'-P energy: -6.859 tors. eta vs tors. theta energy: -5.794 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: 210 Temperature: 1.150000 Total energy: -98.523068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.523068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.523068 (E_RNA) where: Base-Base interactions energy: -48.605 where: short stacking energy: -48.605 Base-Backbone interact. energy: -0.193 local terms energy: -49.725146 where: bonds (distance) C4'-P energy: -10.276 bonds (distance) P-C4' energy: -7.425 flat angles C4'-P-C4' energy: -12.692 flat angles P-C4'-P energy: -6.820 tors. eta vs tors. theta energy: -12.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -110.412916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.412916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.412916 (E_RNA) where: Base-Base interactions energy: -61.182 where: short stacking energy: -40.425 Base-Backbone interact. energy: -0.118 local terms energy: -49.113653 where: bonds (distance) C4'-P energy: -9.404 bonds (distance) P-C4' energy: -14.315 flat angles C4'-P-C4' energy: -9.592 flat angles P-C4'-P energy: -10.233 tors. eta vs tors. theta energy: -5.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -97.696490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.696490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.696490 (E_RNA) where: Base-Base interactions energy: -39.050 where: short stacking energy: -36.564 Base-Backbone interact. energy: -0.065 local terms energy: -58.581228 where: bonds (distance) C4'-P energy: -12.824 bonds (distance) P-C4' energy: -12.989 flat angles C4'-P-C4' energy: -11.944 flat angles P-C4'-P energy: -10.805 tors. eta vs tors. theta energy: -10.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -85.908354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.908354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.908354 (E_RNA) where: Base-Base interactions energy: -31.708 where: short stacking energy: -31.708 Base-Backbone interact. energy: -0.004 local terms energy: -54.196574 where: bonds (distance) C4'-P energy: -12.893 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -10.063 flat angles P-C4'-P energy: -7.420 tors. eta vs tors. theta energy: -7.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -66.627015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.627015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.627015 (E_RNA) where: Base-Base interactions energy: -22.725 where: short stacking energy: -18.651 Base-Backbone interact. energy: -0.783 local terms energy: -43.118906 where: bonds (distance) C4'-P energy: -13.141 bonds (distance) P-C4' energy: -14.174 flat angles C4'-P-C4' energy: -12.734 flat angles P-C4'-P energy: -7.386 tors. eta vs tors. theta energy: 4.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -142.342920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.342920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.342920 (E_RNA) where: Base-Base interactions energy: -87.860 where: short stacking energy: -57.526 Base-Backbone interact. energy: -0.117 local terms energy: -54.365979 where: bonds (distance) C4'-P energy: -10.575 bonds (distance) P-C4' energy: -11.284 flat angles C4'-P-C4' energy: -12.209 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -14.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -155.069320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.069320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.069320 (E_RNA) where: Base-Base interactions energy: -95.005 where: short stacking energy: -61.715 Base-Backbone interact. energy: -0.006 local terms energy: -60.058944 where: bonds (distance) C4'-P energy: -13.970 bonds (distance) P-C4' energy: -12.055 flat angles C4'-P-C4' energy: -15.079 flat angles P-C4'-P energy: -7.718 tors. eta vs tors. theta energy: -11.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -138.520033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.520033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.520033 (E_RNA) where: Base-Base interactions energy: -87.369 where: short stacking energy: -47.447 Base-Backbone interact. energy: -0.090 local terms energy: -51.060926 where: bonds (distance) C4'-P energy: -13.097 bonds (distance) P-C4' energy: -13.170 flat angles C4'-P-C4' energy: -13.293 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -5.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -107.308135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.308135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.308135 (E_RNA) where: Base-Base interactions energy: -45.474 where: short stacking energy: -45.474 Base-Backbone interact. energy: -0.034 local terms energy: -61.800309 where: bonds (distance) C4'-P energy: -12.919 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -14.390 flat angles P-C4'-P energy: -7.980 tors. eta vs tors. theta energy: -11.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -121.412657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.412657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.412657 (E_RNA) where: Base-Base interactions energy: -74.685 where: short stacking energy: -50.613 Base-Backbone interact. energy: -0.002 local terms energy: -46.725970 where: bonds (distance) C4'-P energy: -12.583 bonds (distance) P-C4' energy: -13.412 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -4.752 tors. eta vs tors. theta energy: -9.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -137.132238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.132238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.132238 (E_RNA) where: Base-Base interactions energy: -78.795 where: short stacking energy: -50.206 Base-Backbone interact. energy: -0.010 local terms energy: -58.326588 where: bonds (distance) C4'-P energy: -9.684 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -12.110 flat angles P-C4'-P energy: -9.754 tors. eta vs tors. theta energy: -13.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -113.310109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.310109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.310109 (E_RNA) where: Base-Base interactions energy: -51.416 where: short stacking energy: -45.586 Base-Backbone interact. energy: -0.002 local terms energy: -61.892129 where: bonds (distance) C4'-P energy: -12.923 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -15.011 flat angles P-C4'-P energy: -6.922 tors. eta vs tors. theta energy: -12.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -85.553991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.553991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.553991 (E_RNA) where: Base-Base interactions energy: -42.694 where: short stacking energy: -42.694 Base-Backbone interact. energy: -0.091 local terms energy: -42.768711 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -11.520 flat angles C4'-P-C4' energy: -7.691 flat angles P-C4'-P energy: -7.667 tors. eta vs tors. theta energy: -8.197 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: 211 Temperature: 1.300000 Total energy: -85.381734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.381734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.381734 (E_RNA) where: Base-Base interactions energy: -42.325 where: short stacking energy: -24.856 Base-Backbone interact. energy: -0.225 local terms energy: -42.831342 where: bonds (distance) C4'-P energy: -11.639 bonds (distance) P-C4' energy: -10.194 flat angles C4'-P-C4' energy: -11.050 flat angles P-C4'-P energy: -9.507 tors. eta vs tors. theta energy: -0.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -72.410890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.410890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.410890 (E_RNA) where: Base-Base interactions energy: -32.239 where: short stacking energy: -31.253 Base-Backbone interact. energy: -0.192 local terms energy: -39.979720 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -12.035 flat angles C4'-P-C4' energy: -8.992 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -0.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -156.896293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.896293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.896293 (E_RNA) where: Base-Base interactions energy: -95.329 where: short stacking energy: -65.164 Base-Backbone interact. energy: -0.201 local terms energy: -61.366075 where: bonds (distance) C4'-P energy: -10.923 bonds (distance) P-C4' energy: -12.020 flat angles C4'-P-C4' energy: -12.191 flat angles P-C4'-P energy: -9.560 tors. eta vs tors. theta energy: -16.672 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: 1 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -152.760289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.760289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.760289 (E_RNA) where: Base-Base interactions energy: -94.172 where: short stacking energy: -56.842 Base-Backbone interact. energy: -0.669 local terms energy: -57.918746 where: bonds (distance) C4'-P energy: -9.475 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -14.279 flat angles P-C4'-P energy: -8.005 tors. eta vs tors. theta energy: -11.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -113.531163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.531163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.531163 (E_RNA) where: Base-Base interactions energy: -54.097 where: short stacking energy: -49.378 Base-Backbone interact. energy: -0.035 local terms energy: -59.399927 where: bonds (distance) C4'-P energy: -14.902 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -13.004 flat angles P-C4'-P energy: -5.631 tors. eta vs tors. theta energy: -10.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -136.048081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.048081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.048081 (E_RNA) where: Base-Base interactions energy: -84.239 where: short stacking energy: -48.503 Base-Backbone interact. energy: -0.059 local terms energy: -51.749688 where: bonds (distance) C4'-P energy: -11.901 bonds (distance) P-C4' energy: -12.961 flat angles C4'-P-C4' energy: -10.448 flat angles P-C4'-P energy: -9.556 tors. eta vs tors. theta energy: -6.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -147.893986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.893986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.893986 (E_RNA) where: Base-Base interactions energy: -88.764 where: short stacking energy: -58.515 Base-Backbone interact. energy: -0.008 local terms energy: -59.122082 where: bonds (distance) C4'-P energy: -12.045 bonds (distance) P-C4' energy: -10.272 flat angles C4'-P-C4' energy: -13.873 flat angles P-C4'-P energy: -7.357 tors. eta vs tors. theta energy: -15.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -129.740452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.740452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.740452 (E_RNA) where: Base-Base interactions energy: -76.199 where: short stacking energy: -43.427 Base-Backbone interact. energy: -0.005 local terms energy: -53.537228 where: bonds (distance) C4'-P energy: -13.727 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -9.529 flat angles P-C4'-P energy: -6.897 tors. eta vs tors. theta energy: -9.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -96.421338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.421338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.421338 (E_RNA) where: Base-Base interactions energy: -43.200 where: short stacking energy: -43.200 Base-Backbone interact. energy: 1.707 local terms energy: -54.928896 where: bonds (distance) C4'-P energy: -14.298 bonds (distance) P-C4' energy: -13.072 flat angles C4'-P-C4' energy: -12.598 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -9.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -79.240297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.240297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.240297 (E_RNA) where: Base-Base interactions energy: -33.422 where: short stacking energy: -31.770 Base-Backbone interact. energy: -0.005 local terms energy: -45.813579 where: bonds (distance) C4'-P energy: -10.122 bonds (distance) P-C4' energy: -13.561 flat angles C4'-P-C4' energy: -14.670 flat angles P-C4'-P energy: -5.473 tors. eta vs tors. theta energy: -1.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -89.101182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.101182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.101182 (E_RNA) where: Base-Base interactions energy: -40.822 where: short stacking energy: -40.026 Base-Backbone interact. energy: -0.133 local terms energy: -48.146388 where: bonds (distance) C4'-P energy: -10.769 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -11.076 flat angles P-C4'-P energy: -6.799 tors. eta vs tors. theta energy: -5.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -68.838733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.838733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.838733 (E_RNA) where: Base-Base interactions energy: -26.243 where: short stacking energy: -25.868 Base-Backbone interact. energy: -0.257 local terms energy: -42.338082 where: bonds (distance) C4'-P energy: -8.478 bonds (distance) P-C4' energy: -12.287 flat angles C4'-P-C4' energy: -11.285 flat angles P-C4'-P energy: -7.460 tors. eta vs tors. theta energy: -2.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -153.370448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.370448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.370448 (E_RNA) where: Base-Base interactions energy: -93.211 where: short stacking energy: -57.749 Base-Backbone interact. energy: -0.006 local terms energy: -60.153777 where: bonds (distance) C4'-P energy: -9.347 bonds (distance) P-C4' energy: -10.679 flat angles C4'-P-C4' energy: -12.916 flat angles P-C4'-P energy: -8.693 tors. eta vs tors. theta energy: -18.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -155.767163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.767163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.767163 (E_RNA) where: Base-Base interactions energy: -90.949 where: short stacking energy: -59.948 Base-Backbone interact. energy: -0.656 local terms energy: -64.162037 where: bonds (distance) C4'-P energy: -13.399 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -10.563 flat angles P-C4'-P energy: -9.976 tors. eta vs tors. theta energy: -14.233 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: 3 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -130.048940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.048940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.048940 (E_RNA) where: Base-Base interactions energy: -61.300 where: short stacking energy: -61.300 Base-Backbone interact. energy: -0.000 local terms energy: -68.749031 where: bonds (distance) C4'-P energy: -14.273 bonds (distance) P-C4' energy: -15.338 flat angles C4'-P-C4' energy: -15.334 flat angles P-C4'-P energy: -7.265 tors. eta vs tors. theta energy: -16.539 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: 7 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -141.901883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.901883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.901883 (E_RNA) where: Base-Base interactions energy: -86.064 where: short stacking energy: -53.889 Base-Backbone interact. energy: 1.692 local terms energy: -57.530087 where: bonds (distance) C4'-P energy: -11.655 bonds (distance) P-C4' energy: -10.175 flat angles C4'-P-C4' energy: -13.438 flat angles P-C4'-P energy: -11.497 tors. eta vs tors. theta energy: -10.765 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: 4 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -133.225894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.225894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.225894 (E_RNA) where: Base-Base interactions energy: -78.256 where: short stacking energy: -48.572 Base-Backbone interact. energy: -0.090 local terms energy: -54.879843 where: bonds (distance) C4'-P energy: -12.339 bonds (distance) P-C4' energy: -13.502 flat angles C4'-P-C4' energy: -12.877 flat angles P-C4'-P energy: -6.285 tors. eta vs tors. theta energy: -9.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -90.781018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.781018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.781018 (E_RNA) where: Base-Base interactions energy: -35.968 where: short stacking energy: -34.386 Base-Backbone interact. energy: -0.020 local terms energy: -54.792851 where: bonds (distance) C4'-P energy: -10.178 bonds (distance) P-C4' energy: -12.891 flat angles C4'-P-C4' energy: -11.523 flat angles P-C4'-P energy: -10.790 tors. eta vs tors. theta energy: -9.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -124.719046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.719046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.719046 (E_RNA) where: Base-Base interactions energy: -72.062 where: short stacking energy: -39.618 Base-Backbone interact. energy: -0.727 local terms energy: -51.930119 where: bonds (distance) C4'-P energy: -13.784 bonds (distance) P-C4' energy: -11.939 flat angles C4'-P-C4' energy: -14.980 flat angles P-C4'-P energy: -7.958 tors. eta vs tors. theta energy: -3.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -93.746905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.746905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.746905 (E_RNA) where: Base-Base interactions energy: -39.228 where: short stacking energy: -39.228 Base-Backbone interact. energy: -0.000 local terms energy: -54.518506 where: bonds (distance) C4'-P energy: -12.235 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -9.355 flat angles P-C4'-P energy: -8.547 tors. eta vs tors. theta energy: -10.388 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: 10 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -74.826825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.826825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.826825 (E_RNA) where: Base-Base interactions energy: -34.504 where: short stacking energy: -33.478 Base-Backbone interact. energy: -0.142 local terms energy: -40.180523 where: bonds (distance) C4'-P energy: -10.091 bonds (distance) P-C4' energy: -10.288 flat angles C4'-P-C4' energy: -10.120 flat angles P-C4'-P energy: -4.830 tors. eta vs tors. theta energy: -4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -73.095369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.095369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.095369 (E_RNA) where: Base-Base interactions energy: -29.305 where: short stacking energy: -29.248 Base-Backbone interact. energy: -0.628 local terms energy: -43.161797 where: bonds (distance) C4'-P energy: -8.199 bonds (distance) P-C4' energy: -12.457 flat angles C4'-P-C4' energy: -7.454 flat angles P-C4'-P energy: -7.390 tors. eta vs tors. theta energy: -7.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -153.554458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.554458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.554458 (E_RNA) where: Base-Base interactions energy: -94.686 where: short stacking energy: -58.346 Base-Backbone interact. energy: 0.881 local terms energy: -59.748951 where: bonds (distance) C4'-P energy: -11.913 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -13.720 flat angles P-C4'-P energy: -6.371 tors. eta vs tors. theta energy: -12.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -149.496613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.496613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.496613 (E_RNA) where: Base-Base interactions energy: -89.206 where: short stacking energy: -57.423 Base-Backbone interact. energy: -0.004 local terms energy: -60.286018 where: bonds (distance) C4'-P energy: -14.752 bonds (distance) P-C4' energy: -9.429 flat angles C4'-P-C4' energy: -9.779 flat angles P-C4'-P energy: -10.963 tors. eta vs tors. theta energy: -15.364 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: 7 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -141.248771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.248771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.248771 (E_RNA) where: Base-Base interactions energy: -80.437 where: short stacking energy: -49.566 Base-Backbone interact. energy: -0.004 local terms energy: -60.808669 where: bonds (distance) C4'-P energy: -13.998 bonds (distance) P-C4' energy: -15.083 flat angles C4'-P-C4' energy: -11.100 flat angles P-C4'-P energy: -8.593 tors. eta vs tors. theta energy: -12.034 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: 4, replica: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -119.370697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.370697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.370697 (E_RNA) where: Base-Base interactions energy: -66.945 where: short stacking energy: -40.922 Base-Backbone interact. energy: 0.565 local terms energy: -52.990684 where: bonds (distance) C4'-P energy: -9.442 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -10.701 flat angles P-C4'-P energy: -9.873 tors. eta vs tors. theta energy: -7.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -129.118019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.118019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.118019 (E_RNA) where: Base-Base interactions energy: -75.495 where: short stacking energy: -47.185 Base-Backbone interact. energy: -0.515 local terms energy: -53.108127 where: bonds (distance) C4'-P energy: -9.912 bonds (distance) P-C4' energy: -14.590 flat angles C4'-P-C4' energy: -11.949 flat angles P-C4'-P energy: -6.191 tors. eta vs tors. theta energy: -10.466 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: 214 Temperature: 1.150000 Total energy: -87.382351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.382351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.382351 (E_RNA) where: Base-Base interactions energy: -40.219 where: short stacking energy: -33.728 Base-Backbone interact. energy: -0.192 local terms energy: -46.970799 where: bonds (distance) C4'-P energy: -11.708 bonds (distance) P-C4' energy: -13.186 flat angles C4'-P-C4' energy: -13.338 flat angles P-C4'-P energy: -6.602 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -112.868081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.868081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.868081 (E_RNA) where: Base-Base interactions energy: -65.247 where: short stacking energy: -36.921 Base-Backbone interact. energy: -0.470 local terms energy: -47.151322 where: bonds (distance) C4'-P energy: -13.449 bonds (distance) P-C4' energy: -14.979 flat angles C4'-P-C4' energy: -9.125 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -6.089 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: 8, replica: 6 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -86.628681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.628681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.628681 (E_RNA) where: Base-Base interactions energy: -38.473 where: short stacking energy: -38.473 Base-Backbone interact. energy: -0.101 local terms energy: -48.055140 where: bonds (distance) C4'-P energy: -13.138 bonds (distance) P-C4' energy: -14.724 flat angles C4'-P-C4' energy: -7.928 flat angles P-C4'-P energy: -9.032 tors. eta vs tors. theta energy: -3.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -95.190260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.190260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.190260 (E_RNA) where: Base-Base interactions energy: -49.058 where: short stacking energy: -34.531 Base-Backbone interact. energy: -0.172 local terms energy: -45.959693 where: bonds (distance) C4'-P energy: -10.447 bonds (distance) P-C4' energy: -7.056 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -7.089 tors. eta vs tors. theta energy: -7.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -78.358284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.358284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.358284 (E_RNA) where: Base-Base interactions energy: -34.186 where: short stacking energy: -34.186 Base-Backbone interact. energy: -0.197 local terms energy: -43.974882 where: bonds (distance) C4'-P energy: -8.165 bonds (distance) P-C4' energy: -12.807 flat angles C4'-P-C4' energy: -13.456 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -4.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -157.069235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.069235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.069235 (E_RNA) where: Base-Base interactions energy: -95.957 where: short stacking energy: -60.528 Base-Backbone interact. energy: -0.001 local terms energy: -61.110717 where: bonds (distance) C4'-P energy: -11.548 bonds (distance) P-C4' energy: -10.995 flat angles C4'-P-C4' energy: -13.365 flat angles P-C4'-P energy: -10.762 tors. eta vs tors. theta energy: -14.440 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: 7 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -149.582057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.582057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.582057 (E_RNA) where: Base-Base interactions energy: -88.097 where: short stacking energy: -54.535 Base-Backbone interact. energy: -0.735 local terms energy: -60.749399 where: bonds (distance) C4'-P energy: -12.047 bonds (distance) P-C4' energy: -12.701 flat angles C4'-P-C4' energy: -13.011 flat angles P-C4'-P energy: -9.461 tors. eta vs tors. theta energy: -13.530 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: 2 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -141.304740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.304740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.304740 (E_RNA) where: Base-Base interactions energy: -82.250 where: short stacking energy: -46.444 Base-Backbone interact. energy: -0.008 local terms energy: -59.047342 where: bonds (distance) C4'-P energy: -13.589 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -10.962 flat angles P-C4'-P energy: -9.465 tors. eta vs tors. theta energy: -9.981 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: 4 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -132.350523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.350523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.350523 (E_RNA) where: Base-Base interactions energy: -75.644 where: short stacking energy: -41.993 Base-Backbone interact. energy: -0.386 local terms energy: -56.320532 where: bonds (distance) C4'-P energy: -12.658 bonds (distance) P-C4' energy: -14.100 flat angles C4'-P-C4' energy: -14.540 flat angles P-C4'-P energy: -7.338 tors. eta vs tors. theta energy: -7.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -129.599303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.599303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.599303 (E_RNA) where: Base-Base interactions energy: -66.514 where: short stacking energy: -48.741 Base-Backbone interact. energy: -0.041 local terms energy: -63.044217 where: bonds (distance) C4'-P energy: -11.299 bonds (distance) P-C4' energy: -15.767 flat angles C4'-P-C4' energy: -15.842 flat angles P-C4'-P energy: -9.248 tors. eta vs tors. theta energy: -10.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -88.183835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.183835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.183835 (E_RNA) where: Base-Base interactions energy: -41.345 where: short stacking energy: -41.345 Base-Backbone interact. energy: -0.040 local terms energy: -46.798115 where: bonds (distance) C4'-P energy: -11.863 bonds (distance) P-C4' energy: -14.194 flat angles C4'-P-C4' energy: -11.869 flat angles P-C4'-P energy: -3.270 tors. eta vs tors. theta energy: -5.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -88.648710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.648710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.648710 (E_RNA) where: Base-Base interactions energy: -36.588 where: short stacking energy: -35.868 Base-Backbone interact. energy: -0.028 local terms energy: -52.032750 where: bonds (distance) C4'-P energy: -12.932 bonds (distance) P-C4' energy: -14.320 flat angles C4'-P-C4' energy: -11.531 flat angles P-C4'-P energy: -5.412 tors. eta vs tors. theta energy: -7.839 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: 215 Temperature: 1.250000 Total energy: -82.689569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.689569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.689569 (E_RNA) where: Base-Base interactions energy: -37.827 where: short stacking energy: -29.876 Base-Backbone interact. energy: -0.666 local terms energy: -44.196250 where: bonds (distance) C4'-P energy: -11.254 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -11.988 flat angles P-C4'-P energy: -5.651 tors. eta vs tors. theta energy: -1.044 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: 6 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -92.268906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.268906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.268906 (E_RNA) where: Base-Base interactions energy: -40.260 where: short stacking energy: -40.260 Base-Backbone interact. energy: -0.040 local terms energy: -51.968985 where: bonds (distance) C4'-P energy: -12.673 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -6.525 tors. eta vs tors. theta energy: -9.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -65.728700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.728700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.728700 (E_RNA) where: Base-Base interactions energy: -29.335 where: short stacking energy: -28.529 Base-Backbone interact. energy: -0.015 local terms energy: -36.378649 where: bonds (distance) C4'-P energy: -8.080 bonds (distance) P-C4' energy: -12.741 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -8.735 tors. eta vs tors. theta energy: -1.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -153.801083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.801083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.801083 (E_RNA) where: Base-Base interactions energy: -91.142 where: short stacking energy: -52.553 Base-Backbone interact. energy: -0.007 local terms energy: -62.652400 where: bonds (distance) C4'-P energy: -12.620 bonds (distance) P-C4' energy: -14.562 flat angles C4'-P-C4' energy: -13.179 flat angles P-C4'-P energy: -10.951 tors. eta vs tors. theta energy: -11.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -148.181963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.181963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.181963 (E_RNA) where: Base-Base interactions energy: -85.908 where: short stacking energy: -52.294 Base-Backbone interact. energy: -0.009 local terms energy: -62.264249 where: bonds (distance) C4'-P energy: -14.115 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -11.847 flat angles P-C4'-P energy: -9.925 tors. eta vs tors. theta energy: -11.712 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: 3, replica: 2 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -140.354620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.354620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.354620 (E_RNA) where: Base-Base interactions energy: -82.996 where: short stacking energy: -58.682 Base-Backbone interact. energy: -0.007 local terms energy: -57.352481 where: bonds (distance) C4'-P energy: -11.085 bonds (distance) P-C4' energy: -11.951 flat angles C4'-P-C4' energy: -13.973 flat angles P-C4'-P energy: -6.931 tors. eta vs tors. theta energy: -13.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -136.107039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.107039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.107039 (E_RNA) where: Base-Base interactions energy: -79.051 where: short stacking energy: -47.407 Base-Backbone interact. energy: -0.043 local terms energy: -57.013078 where: bonds (distance) C4'-P energy: -13.439 bonds (distance) P-C4' energy: -13.888 flat angles C4'-P-C4' energy: -15.431 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -9.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -104.330892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.330892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.330892 (E_RNA) where: Base-Base interactions energy: -55.967 where: short stacking energy: -43.840 Base-Backbone interact. energy: -0.235 local terms energy: -48.128951 where: bonds (distance) C4'-P energy: -10.202 bonds (distance) P-C4' energy: -12.385 flat angles C4'-P-C4' energy: -10.383 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -10.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -89.696949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.696949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.696949 (E_RNA) where: Base-Base interactions energy: -38.522 where: short stacking energy: -38.522 Base-Backbone interact. energy: -0.389 local terms energy: -50.786086 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -13.464 flat angles C4'-P-C4' energy: -12.383 flat angles P-C4'-P energy: -5.884 tors. eta vs tors. theta energy: -6.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -92.854594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.854594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.854594 (E_RNA) where: Base-Base interactions energy: -39.447 where: short stacking energy: -40.434 Base-Backbone interact. energy: -0.005 local terms energy: -53.402984 where: bonds (distance) C4'-P energy: -11.983 bonds (distance) P-C4' energy: -12.314 flat angles C4'-P-C4' energy: -9.653 flat angles P-C4'-P energy: -11.123 tors. eta vs tors. theta energy: -8.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -94.733593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.733593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.733593 (E_RNA) where: Base-Base interactions energy: -47.995 where: short stacking energy: -47.712 Base-Backbone interact. energy: -0.043 local terms energy: -46.696025 where: bonds (distance) C4'-P energy: -10.083 bonds (distance) P-C4' energy: -8.682 flat angles C4'-P-C4' energy: -12.713 flat angles P-C4'-P energy: -7.148 tors. eta vs tors. theta energy: -8.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -85.050618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.050618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.050618 (E_RNA) where: Base-Base interactions energy: -33.946 where: short stacking energy: -33.946 Base-Backbone interact. energy: -0.294 local terms energy: -50.810584 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -13.013 flat angles C4'-P-C4' energy: -12.287 flat angles P-C4'-P energy: -9.496 tors. eta vs tors. theta energy: -5.853 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: 10, replica: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -75.465287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.465287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.465287 (E_RNA) where: Base-Base interactions energy: -31.279 where: short stacking energy: -22.402 Base-Backbone interact. energy: -0.054 local terms energy: -44.131904 where: bonds (distance) C4'-P energy: -11.775 bonds (distance) P-C4' energy: -14.954 flat angles C4'-P-C4' energy: -6.478 flat angles P-C4'-P energy: -9.913 tors. eta vs tors. theta energy: -1.011 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: 7 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -156.003714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.003714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.003714 (E_RNA) where: Base-Base interactions energy: -91.061 where: short stacking energy: -54.695 Base-Backbone interact. energy: -0.588 local terms energy: -64.354570 where: bonds (distance) C4'-P energy: -14.512 bonds (distance) P-C4' energy: -12.477 flat angles C4'-P-C4' energy: -13.707 flat angles P-C4'-P energy: -9.170 tors. eta vs tors. theta energy: -14.488 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: 1 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -153.458540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.458540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.458540 (E_RNA) where: Base-Base interactions energy: -86.970 where: short stacking energy: -57.690 Base-Backbone interact. energy: -0.093 local terms energy: -66.395469 where: bonds (distance) C4'-P energy: -15.518 bonds (distance) P-C4' energy: -13.488 flat angles C4'-P-C4' energy: -14.983 flat angles P-C4'-P energy: -10.180 tors. eta vs tors. theta energy: -12.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -144.750485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.750485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.750485 (E_RNA) where: Base-Base interactions energy: -88.474 where: short stacking energy: -57.508 Base-Backbone interact. energy: -0.104 local terms energy: -56.173182 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -12.876 flat angles C4'-P-C4' energy: -14.829 flat angles P-C4'-P energy: -3.530 tors. eta vs tors. theta energy: -12.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -138.520695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.520695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.520695 (E_RNA) where: Base-Base interactions energy: -83.345 where: short stacking energy: -54.325 Base-Backbone interact. energy: 0.438 local terms energy: -55.614141 where: bonds (distance) C4'-P energy: -10.195 bonds (distance) P-C4' energy: -13.123 flat angles C4'-P-C4' energy: -12.754 flat angles P-C4'-P energy: -8.862 tors. eta vs tors. theta energy: -10.681 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: 3 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -99.753307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.753307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.753307 (E_RNA) where: Base-Base interactions energy: -49.330 where: short stacking energy: -32.713 Base-Backbone interact. energy: -0.036 local terms energy: -50.386799 where: bonds (distance) C4'-P energy: -13.109 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -10.957 flat angles P-C4'-P energy: -6.137 tors. eta vs tors. theta energy: -5.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -97.261983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.261983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.261983 (E_RNA) where: Base-Base interactions energy: -49.519 where: short stacking energy: -47.117 Base-Backbone interact. energy: -0.064 local terms energy: -47.678725 where: bonds (distance) C4'-P energy: -10.439 bonds (distance) P-C4' energy: -8.956 flat angles C4'-P-C4' energy: -11.052 flat angles P-C4'-P energy: -5.672 tors. eta vs tors. theta energy: -11.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -101.091124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.091124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.091124 (E_RNA) where: Base-Base interactions energy: -44.745 where: short stacking energy: -43.629 Base-Backbone interact. energy: -0.052 local terms energy: -56.294611 where: bonds (distance) C4'-P energy: -11.839 bonds (distance) P-C4' energy: -14.157 flat angles C4'-P-C4' energy: -10.650 flat angles P-C4'-P energy: -8.567 tors. eta vs tors. theta energy: -11.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -115.593211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.593211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.593211 (E_RNA) where: Base-Base interactions energy: -71.606 where: short stacking energy: -42.945 Base-Backbone interact. energy: -0.297 local terms energy: -43.689790 where: bonds (distance) C4'-P energy: -10.936 bonds (distance) P-C4' energy: -10.865 flat angles C4'-P-C4' energy: -9.088 flat angles P-C4'-P energy: -8.407 tors. eta vs tors. theta energy: -4.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -75.142168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.142168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.142168 (E_RNA) where: Base-Base interactions energy: -32.350 where: short stacking energy: -31.049 Base-Backbone interact. energy: 0.297 local terms energy: -43.089069 where: bonds (distance) C4'-P energy: -14.592 bonds (distance) P-C4' energy: -10.749 flat angles C4'-P-C4' energy: -10.594 flat angles P-C4'-P energy: -6.503 tors. eta vs tors. theta energy: -0.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -76.791938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.791938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.791938 (E_RNA) where: Base-Base interactions energy: -38.001 where: short stacking energy: -37.730 Base-Backbone interact. energy: -0.017 local terms energy: -38.773544 where: bonds (distance) C4'-P energy: -3.007 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -9.004 flat angles P-C4'-P energy: -6.944 tors. eta vs tors. theta energy: -6.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -180.300826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.300826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.300826 (E_RNA) where: Base-Base interactions energy: -110.555 where: short stacking energy: -67.317 Base-Backbone interact. energy: -0.001 local terms energy: -69.744687 where: bonds (distance) C4'-P energy: -11.428 bonds (distance) P-C4' energy: -14.409 flat angles C4'-P-C4' energy: -13.558 flat angles P-C4'-P energy: -13.691 tors. eta vs tors. theta energy: -16.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -151.935336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.935336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.935336 (E_RNA) where: Base-Base interactions energy: -90.158 where: short stacking energy: -58.694 Base-Backbone interact. energy: -0.030 local terms energy: -61.747585 where: bonds (distance) C4'-P energy: -14.388 bonds (distance) P-C4' energy: -12.639 flat angles C4'-P-C4' energy: -10.983 flat angles P-C4'-P energy: -8.655 tors. eta vs tors. theta energy: -15.082 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: 2 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -136.186226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.186226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.186226 (E_RNA) where: Base-Base interactions energy: -81.304 where: short stacking energy: -51.706 Base-Backbone interact. energy: -0.005 local terms energy: -54.876970 where: bonds (distance) C4'-P energy: -11.184 bonds (distance) P-C4' energy: -14.336 flat angles C4'-P-C4' energy: -11.878 flat angles P-C4'-P energy: -6.414 tors. eta vs tors. theta energy: -11.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -147.721341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.721341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.721341 (E_RNA) where: Base-Base interactions energy: -93.074 where: short stacking energy: -63.526 Base-Backbone interact. energy: 0.689 local terms energy: -55.336398 where: bonds (distance) C4'-P energy: -11.018 bonds (distance) P-C4' energy: -11.567 flat angles C4'-P-C4' energy: -10.142 flat angles P-C4'-P energy: -8.473 tors. eta vs tors. theta energy: -14.136 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: 3 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -97.564273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.564273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.564273 (E_RNA) where: Base-Base interactions energy: -41.799 where: short stacking energy: -36.169 Base-Backbone interact. energy: -0.202 local terms energy: -55.563772 where: bonds (distance) C4'-P energy: -11.929 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -13.351 flat angles P-C4'-P energy: -9.642 tors. eta vs tors. theta energy: -4.880 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: 9 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -91.663845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.663845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.663845 (E_RNA) where: Base-Base interactions energy: -38.967 where: short stacking energy: -38.967 Base-Backbone interact. energy: -0.005 local terms energy: -52.691343 where: bonds (distance) C4'-P energy: -11.571 bonds (distance) P-C4' energy: -7.842 flat angles C4'-P-C4' energy: -13.312 flat angles P-C4'-P energy: -9.235 tors. eta vs tors. theta energy: -10.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -104.299143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.299143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.299143 (E_RNA) where: Base-Base interactions energy: -59.858 where: short stacking energy: -29.678 Base-Backbone interact. energy: -0.156 local terms energy: -44.285313 where: bonds (distance) C4'-P energy: -10.356 bonds (distance) P-C4' energy: -13.940 flat angles C4'-P-C4' energy: -10.218 flat angles P-C4'-P energy: -9.236 tors. eta vs tors. theta energy: -0.536 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: 5 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -91.646335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.646335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.646335 (E_RNA) where: Base-Base interactions energy: -46.040 where: short stacking energy: -43.497 Base-Backbone interact. energy: -0.104 local terms energy: -45.502322 where: bonds (distance) C4'-P energy: -10.823 bonds (distance) P-C4' energy: -7.186 flat angles C4'-P-C4' energy: -11.851 flat angles P-C4'-P energy: -9.847 tors. eta vs tors. theta energy: -5.795 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: 10 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -76.383263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.383263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.383263 (E_RNA) where: Base-Base interactions energy: -31.716 where: short stacking energy: -31.716 Base-Backbone interact. energy: 1.420 local terms energy: -46.086423 where: bonds (distance) C4'-P energy: -8.617 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -10.936 flat angles P-C4'-P energy: -7.383 tors. eta vs tors. theta energy: -4.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -70.598274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.598274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.598274 (E_RNA) where: Base-Base interactions energy: -30.838 where: short stacking energy: -25.538 Base-Backbone interact. energy: -0.089 local terms energy: -39.672117 where: bonds (distance) C4'-P energy: -9.056 bonds (distance) P-C4' energy: -12.363 flat angles C4'-P-C4' energy: -10.216 flat angles P-C4'-P energy: -5.272 tors. eta vs tors. theta energy: -2.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -170.103755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.103755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.103755 (E_RNA) where: Base-Base interactions energy: -105.975 where: short stacking energy: -63.045 Base-Backbone interact. energy: -0.306 local terms energy: -63.822873 where: bonds (distance) C4'-P energy: -13.747 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -13.273 flat angles P-C4'-P energy: -9.235 tors. eta vs tors. theta energy: -14.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -161.652955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.652955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.652955 (E_RNA) where: Base-Base interactions energy: -97.094 where: short stacking energy: -59.457 Base-Backbone interact. energy: -0.009 local terms energy: -64.550342 where: bonds (distance) C4'-P energy: -12.599 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -13.152 flat angles P-C4'-P energy: -5.608 tors. eta vs tors. theta energy: -17.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -129.713328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.713328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.713328 (E_RNA) where: Base-Base interactions energy: -73.947 where: short stacking energy: -45.637 Base-Backbone interact. energy: -0.147 local terms energy: -55.620134 where: bonds (distance) C4'-P energy: -11.121 bonds (distance) P-C4' energy: -15.556 flat angles C4'-P-C4' energy: -9.355 flat angles P-C4'-P energy: -8.628 tors. eta vs tors. theta energy: -10.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -139.522121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.522121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.522121 (E_RNA) where: Base-Base interactions energy: -79.204 where: short stacking energy: -45.208 Base-Backbone interact. energy: -0.544 local terms energy: -59.774172 where: bonds (distance) C4'-P energy: -12.984 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -12.936 flat angles P-C4'-P energy: -9.064 tors. eta vs tors. theta energy: -10.212 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: 3 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -106.847759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.847759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.847759 (E_RNA) where: Base-Base interactions energy: -48.225 where: short stacking energy: -46.987 Base-Backbone interact. energy: -0.055 local terms energy: -58.567697 where: bonds (distance) C4'-P energy: -11.990 bonds (distance) P-C4' energy: -13.811 flat angles C4'-P-C4' energy: -14.095 flat angles P-C4'-P energy: -8.145 tors. eta vs tors. theta energy: -10.526 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: 8 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -99.479845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.479845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.479845 (E_RNA) where: Base-Base interactions energy: -52.691 where: short stacking energy: -36.423 Base-Backbone interact. energy: -0.106 local terms energy: -46.682750 where: bonds (distance) C4'-P energy: -9.577 bonds (distance) P-C4' energy: -12.185 flat angles C4'-P-C4' energy: -11.430 flat angles P-C4'-P energy: -8.706 tors. eta vs tors. theta energy: -4.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -88.947834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.947834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.947834 (E_RNA) where: Base-Base interactions energy: -36.659 where: short stacking energy: -36.659 Base-Backbone interact. energy: -0.088 local terms energy: -52.200897 where: bonds (distance) C4'-P energy: -14.516 bonds (distance) P-C4' energy: -10.592 flat angles C4'-P-C4' energy: -12.280 flat angles P-C4'-P energy: -7.431 tors. eta vs tors. theta energy: -7.382 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: 5 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -95.888005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.888005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.888005 (E_RNA) where: Base-Base interactions energy: -38.406 where: short stacking energy: -34.670 Base-Backbone interact. energy: -0.106 local terms energy: -57.376771 where: bonds (distance) C4'-P energy: -12.409 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -12.236 flat angles P-C4'-P energy: -10.423 tors. eta vs tors. theta energy: -6.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -81.181221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.181221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.181221 (E_RNA) where: Base-Base interactions energy: -33.397 where: short stacking energy: -33.179 Base-Backbone interact. energy: -0.571 local terms energy: -47.213158 where: bonds (distance) C4'-P energy: -9.631 bonds (distance) P-C4' energy: -10.838 flat angles C4'-P-C4' energy: -11.685 flat angles P-C4'-P energy: -10.402 tors. eta vs tors. theta energy: -4.656 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: 6 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -75.540328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.540328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.540328 (E_RNA) where: Base-Base interactions energy: -30.401 where: short stacking energy: -25.513 Base-Backbone interact. energy: -0.719 local terms energy: -44.420125 where: bonds (distance) C4'-P energy: -12.156 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -8.126 tors. eta vs tors. theta energy: -4.135 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: 7 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -167.524336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.524336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.524336 (E_RNA) where: Base-Base interactions energy: -99.527 where: short stacking energy: -58.139 Base-Backbone interact. energy: 0.039 local terms energy: -68.037092 where: bonds (distance) C4'-P energy: -13.444 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -10.948 flat angles P-C4'-P energy: -11.621 tors. eta vs tors. theta energy: -16.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -147.165936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.165936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.165936 (E_RNA) where: Base-Base interactions energy: -87.265 where: short stacking energy: -47.443 Base-Backbone interact. energy: -0.267 local terms energy: -59.634171 where: bonds (distance) C4'-P energy: -14.068 bonds (distance) P-C4' energy: -12.915 flat angles C4'-P-C4' energy: -15.375 flat angles P-C4'-P energy: -8.200 tors. eta vs tors. theta energy: -9.075 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: 220 Temperature: 1.000000 Total energy: -135.928775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.928775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.928775 (E_RNA) where: Base-Base interactions energy: -82.051 where: short stacking energy: -52.351 Base-Backbone interact. energy: -0.402 local terms energy: -53.476490 where: bonds (distance) C4'-P energy: -9.536 bonds (distance) P-C4' energy: -12.017 flat angles C4'-P-C4' energy: -10.984 flat angles P-C4'-P energy: -9.889 tors. eta vs tors. theta energy: -11.051 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: 2 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -133.494886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.494886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.494886 (E_RNA) where: Base-Base interactions energy: -76.988 where: short stacking energy: -49.287 Base-Backbone interact. energy: -0.381 local terms energy: -56.125549 where: bonds (distance) C4'-P energy: -12.492 bonds (distance) P-C4' energy: -13.116 flat angles C4'-P-C4' energy: -12.634 flat angles P-C4'-P energy: -8.501 tors. eta vs tors. theta energy: -9.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -94.749805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.749805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.749805 (E_RNA) where: Base-Base interactions energy: -37.572 where: short stacking energy: -33.444 Base-Backbone interact. energy: -0.306 local terms energy: -56.870913 where: bonds (distance) C4'-P energy: -13.870 bonds (distance) P-C4' energy: -10.587 flat angles C4'-P-C4' energy: -15.575 flat angles P-C4'-P energy: -11.820 tors. eta vs tors. theta energy: -5.019 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: 8 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -122.258951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.258951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.258951 (E_RNA) where: Base-Base interactions energy: -71.597 where: short stacking energy: -40.690 Base-Backbone interact. energy: 0.178 local terms energy: -50.840179 where: bonds (distance) C4'-P energy: -11.896 bonds (distance) P-C4' energy: -12.882 flat angles C4'-P-C4' energy: -9.983 flat angles P-C4'-P energy: -8.571 tors. eta vs tors. theta energy: -7.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -86.276730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.276730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.276730 (E_RNA) where: Base-Base interactions energy: -39.951 where: short stacking energy: -37.571 Base-Backbone interact. energy: -0.035 local terms energy: -46.291236 where: bonds (distance) C4'-P energy: -9.863 bonds (distance) P-C4' energy: -12.388 flat angles C4'-P-C4' energy: -10.266 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -8.445 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: 9 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -78.215184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.215184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.215184 (E_RNA) where: Base-Base interactions energy: -34.754 where: short stacking energy: -24.940 Base-Backbone interact. energy: -0.198 local terms energy: -43.263258 where: bonds (distance) C4'-P energy: -8.680 bonds (distance) P-C4' energy: -13.942 flat angles C4'-P-C4' energy: -10.542 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -4.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -83.555031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.555031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.555031 (E_RNA) where: Base-Base interactions energy: -42.728 where: short stacking energy: -35.695 Base-Backbone interact. energy: -0.111 local terms energy: -40.716388 where: bonds (distance) C4'-P energy: -10.686 bonds (distance) P-C4' energy: -12.455 flat angles C4'-P-C4' energy: -8.191 flat angles P-C4'-P energy: -4.969 tors. eta vs tors. theta energy: -4.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -80.265142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.265142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.265142 (E_RNA) where: Base-Base interactions energy: -35.260 where: short stacking energy: -32.481 Base-Backbone interact. energy: 0.112 local terms energy: -45.117053 where: bonds (distance) C4'-P energy: -13.854 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -8.010 flat angles P-C4'-P energy: -4.990 tors. eta vs tors. theta energy: -5.181 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: 7 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -163.710110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.710110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.710110 (E_RNA) where: Base-Base interactions energy: -95.648 where: short stacking energy: -60.088 Base-Backbone interact. energy: -1.616 local terms energy: -66.445768 where: bonds (distance) C4'-P energy: -12.454 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -14.161 flat angles P-C4'-P energy: -8.054 tors. eta vs tors. theta energy: -17.518 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: 1 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -153.609133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.609133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.609133 (E_RNA) where: Base-Base interactions energy: -92.361 where: short stacking energy: -54.852 Base-Backbone interact. energy: -0.090 local terms energy: -61.157461 where: bonds (distance) C4'-P energy: -12.476 bonds (distance) P-C4' energy: -16.028 flat angles C4'-P-C4' energy: -9.101 flat angles P-C4'-P energy: -11.820 tors. eta vs tors. theta energy: -11.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -146.225062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.225062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.225062 (E_RNA) where: Base-Base interactions energy: -85.532 where: short stacking energy: -53.349 Base-Backbone interact. energy: -0.049 local terms energy: -60.644501 where: bonds (distance) C4'-P energy: -12.011 bonds (distance) P-C4' energy: -14.991 flat angles C4'-P-C4' energy: -8.770 flat angles P-C4'-P energy: -11.679 tors. eta vs tors. theta energy: -13.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -121.914817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.914817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.914817 (E_RNA) where: Base-Base interactions energy: -72.192 where: short stacking energy: -40.731 Base-Backbone interact. energy: 0.325 local terms energy: -50.047696 where: bonds (distance) C4'-P energy: -11.970 bonds (distance) P-C4' energy: -15.351 flat angles C4'-P-C4' energy: -12.018 flat angles P-C4'-P energy: -7.411 tors. eta vs tors. theta energy: -3.297 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: 2 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -125.129539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.129539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.129539 (E_RNA) where: Base-Base interactions energy: -71.904 where: short stacking energy: -40.701 Base-Backbone interact. energy: -0.659 local terms energy: -52.566934 where: bonds (distance) C4'-P energy: -12.692 bonds (distance) P-C4' energy: -9.381 flat angles C4'-P-C4' energy: -13.098 flat angles P-C4'-P energy: -8.184 tors. eta vs tors. theta energy: -9.211 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: 5 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -95.954442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.954442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.954442 (E_RNA) where: Base-Base interactions energy: -53.144 where: short stacking energy: -39.654 Base-Backbone interact. energy: 1.059 local terms energy: -43.869026 where: bonds (distance) C4'-P energy: -9.664 bonds (distance) P-C4' energy: -7.032 flat angles C4'-P-C4' energy: -11.142 flat angles P-C4'-P energy: -11.631 tors. eta vs tors. theta energy: -4.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -122.758357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.758357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.758357 (E_RNA) where: Base-Base interactions energy: -71.118 where: short stacking energy: -36.145 Base-Backbone interact. energy: 0.303 local terms energy: -51.942921 where: bonds (distance) C4'-P energy: -11.274 bonds (distance) P-C4' energy: -9.666 flat angles C4'-P-C4' energy: -13.340 flat angles P-C4'-P energy: -10.304 tors. eta vs tors. theta energy: -7.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -85.131599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.131599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.131599 (E_RNA) where: Base-Base interactions energy: -42.625 where: short stacking energy: -33.909 Base-Backbone interact. energy: 0.389 local terms energy: -42.895693 where: bonds (distance) C4'-P energy: -13.187 bonds (distance) P-C4' energy: -11.256 flat angles C4'-P-C4' energy: -12.059 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: -1.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -62.963047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.963047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.963047 (E_RNA) where: Base-Base interactions energy: -29.749 where: short stacking energy: -21.894 Base-Backbone interact. energy: 1.465 local terms energy: -34.678175 where: bonds (distance) C4'-P energy: -11.369 bonds (distance) P-C4' energy: -9.738 flat angles C4'-P-C4' energy: -9.693 flat angles P-C4'-P energy: -8.145 tors. eta vs tors. theta energy: 4.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -76.928663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.928663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.928663 (E_RNA) where: Base-Base interactions energy: -33.806 where: short stacking energy: -33.806 Base-Backbone interact. energy: -0.749 local terms energy: -42.372923 where: bonds (distance) C4'-P energy: -11.477 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -10.993 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -0.525 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: 1 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -162.542503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.542503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.542503 (E_RNA) where: Base-Base interactions energy: -97.193 where: short stacking energy: -62.035 Base-Backbone interact. energy: -0.003 local terms energy: -65.346337 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -12.385 flat angles P-C4'-P energy: -10.639 tors. eta vs tors. theta energy: -13.964 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: 7 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -146.486841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.486841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.486841 (E_RNA) where: Base-Base interactions energy: -79.069 where: short stacking energy: -46.370 Base-Backbone interact. energy: -0.004 local terms energy: -67.413458 where: bonds (distance) C4'-P energy: -14.020 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -14.258 flat angles P-C4'-P energy: -11.414 tors. eta vs tors. theta energy: -12.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -152.561684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.561684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.561684 (E_RNA) where: Base-Base interactions energy: -90.572 where: short stacking energy: -53.137 Base-Backbone interact. energy: -0.009 local terms energy: -61.981046 where: bonds (distance) C4'-P energy: -13.002 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -14.307 flat angles P-C4'-P energy: -7.030 tors. eta vs tors. theta energy: -14.573 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: 3 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -135.623085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.623085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.623085 (E_RNA) where: Base-Base interactions energy: -80.273 where: short stacking energy: -52.640 Base-Backbone interact. energy: -0.357 local terms energy: -54.992498 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -11.051 flat angles C4'-P-C4' energy: -13.906 flat angles P-C4'-P energy: -12.104 tors. eta vs tors. theta energy: -8.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -132.516478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.516478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.516478 (E_RNA) where: Base-Base interactions energy: -77.532 where: short stacking energy: -45.117 Base-Backbone interact. energy: -0.174 local terms energy: -54.810253 where: bonds (distance) C4'-P energy: -11.941 bonds (distance) P-C4' energy: -12.427 flat angles C4'-P-C4' energy: -13.971 flat angles P-C4'-P energy: -8.119 tors. eta vs tors. theta energy: -8.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -90.541114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.541114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.541114 (E_RNA) where: Base-Base interactions energy: -41.406 where: short stacking energy: -41.406 Base-Backbone interact. energy: -0.312 local terms energy: -48.823032 where: bonds (distance) C4'-P energy: -10.294 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -12.425 flat angles P-C4'-P energy: -5.014 tors. eta vs tors. theta energy: -6.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -106.499955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.499955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.499955 (E_RNA) where: Base-Base interactions energy: -66.222 where: short stacking energy: -34.904 Base-Backbone interact. energy: -0.207 local terms energy: -40.071329 where: bonds (distance) C4'-P energy: -14.794 bonds (distance) P-C4' energy: -8.896 flat angles C4'-P-C4' energy: -9.469 flat angles P-C4'-P energy: -7.155 tors. eta vs tors. theta energy: 0.243 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: 6 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -94.117816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.117816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.117816 (E_RNA) where: Base-Base interactions energy: -40.750 where: short stacking energy: -37.076 Base-Backbone interact. energy: -0.085 local terms energy: -53.282077 where: bonds (distance) C4'-P energy: -10.368 bonds (distance) P-C4' energy: -14.362 flat angles C4'-P-C4' energy: -13.919 flat angles P-C4'-P energy: -10.119 tors. eta vs tors. theta energy: -4.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -84.849429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.849429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.849429 (E_RNA) where: Base-Base interactions energy: -35.328 where: short stacking energy: -29.457 Base-Backbone interact. energy: -1.203 local terms energy: -48.318116 where: bonds (distance) C4'-P energy: -11.636 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -10.842 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: 10, replica: 9 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -68.898246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.898246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.898246 (E_RNA) where: Base-Base interactions energy: -28.247 where: short stacking energy: -23.312 Base-Backbone interact. energy: 0.638 local terms energy: -41.289245 where: bonds (distance) C4'-P energy: -13.262 bonds (distance) P-C4' energy: -7.726 flat angles C4'-P-C4' energy: -10.881 flat angles P-C4'-P energy: -5.819 tors. eta vs tors. theta energy: -3.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -156.552736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.552736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.552736 (E_RNA) where: Base-Base interactions energy: -99.503 where: short stacking energy: -60.049 Base-Backbone interact. energy: -0.050 local terms energy: -56.999297 where: bonds (distance) C4'-P energy: -12.318 bonds (distance) P-C4' energy: -12.031 flat angles C4'-P-C4' energy: -12.937 flat angles P-C4'-P energy: -6.586 tors. eta vs tors. theta energy: -13.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -134.728850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.728850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.728850 (E_RNA) where: Base-Base interactions energy: -76.507 where: short stacking energy: -41.295 Base-Backbone interact. energy: 2.046 local terms energy: -60.267869 where: bonds (distance) C4'-P energy: -12.898 bonds (distance) P-C4' energy: -12.208 flat angles C4'-P-C4' energy: -14.359 flat angles P-C4'-P energy: -11.233 tors. eta vs tors. theta energy: -9.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -143.257583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.257583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.257583 (E_RNA) where: Base-Base interactions energy: -78.199 where: short stacking energy: -47.236 Base-Backbone interact. energy: 0.616 local terms energy: -65.674635 where: bonds (distance) C4'-P energy: -12.786 bonds (distance) P-C4' energy: -13.275 flat angles C4'-P-C4' energy: -13.259 flat angles P-C4'-P energy: -12.114 tors. eta vs tors. theta energy: -14.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -142.203217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.203217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.203217 (E_RNA) where: Base-Base interactions energy: -79.519 where: short stacking energy: -46.340 Base-Backbone interact. energy: -1.056 local terms energy: -61.628276 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -12.490 flat angles P-C4'-P energy: -9.698 tors. eta vs tors. theta energy: -11.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -138.148721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.148721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.148721 (E_RNA) where: Base-Base interactions energy: -81.999 where: short stacking energy: -45.435 Base-Backbone interact. energy: -0.093 local terms energy: -56.057232 where: bonds (distance) C4'-P energy: -12.389 bonds (distance) P-C4' energy: -11.701 flat angles C4'-P-C4' energy: -11.521 flat angles P-C4'-P energy: -9.510 tors. eta vs tors. theta energy: -10.938 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: 223 Temperature: 1.150000 Total energy: -122.197840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.197840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.197840 (E_RNA) where: Base-Base interactions energy: -68.364 where: short stacking energy: -36.678 Base-Backbone interact. energy: -0.632 local terms energy: -53.201210 where: bonds (distance) C4'-P energy: -13.126 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -13.122 flat angles P-C4'-P energy: -6.930 tors. eta vs tors. theta energy: -5.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -82.611705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.611705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.611705 (E_RNA) where: Base-Base interactions energy: -31.228 where: short stacking energy: -31.228 Base-Backbone interact. energy: -0.008 local terms energy: -51.374978 where: bonds (distance) C4'-P energy: -11.540 bonds (distance) P-C4' energy: -10.723 flat angles C4'-P-C4' energy: -11.618 flat angles P-C4'-P energy: -10.845 tors. eta vs tors. theta energy: -6.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -88.655567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.655567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.655567 (E_RNA) where: Base-Base interactions energy: -39.894 where: short stacking energy: -39.894 Base-Backbone interact. energy: -0.129 local terms energy: -48.631895 where: bonds (distance) C4'-P energy: -13.001 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -6.991 tors. eta vs tors. theta energy: -6.975 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: 6 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -78.559062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.559062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.559062 (E_RNA) where: Base-Base interactions energy: -29.734 where: short stacking energy: -29.638 Base-Backbone interact. energy: -0.206 local terms energy: -48.619137 where: bonds (distance) C4'-P energy: -10.074 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -12.327 flat angles P-C4'-P energy: -5.871 tors. eta vs tors. theta energy: -6.892 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: 9 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -81.582355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.582355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.582355 (E_RNA) where: Base-Base interactions energy: -38.815 where: short stacking energy: -27.880 Base-Backbone interact. energy: -0.215 local terms energy: -42.551719 where: bonds (distance) C4'-P energy: -11.966 bonds (distance) P-C4' energy: -9.247 flat angles C4'-P-C4' energy: -12.360 flat angles P-C4'-P energy: -3.124 tors. eta vs tors. theta energy: -5.855 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: 1 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -176.080439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.080439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.080439 (E_RNA) where: Base-Base interactions energy: -108.964 where: short stacking energy: -70.553 Base-Backbone interact. energy: -0.000 local terms energy: -67.115837 where: bonds (distance) C4'-P energy: -14.607 bonds (distance) P-C4' energy: -11.725 flat angles C4'-P-C4' energy: -14.218 flat angles P-C4'-P energy: -8.131 tors. eta vs tors. theta energy: -18.435 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: 7 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -148.303711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.303711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.303711 (E_RNA) where: Base-Base interactions energy: -80.523 where: short stacking energy: -51.731 Base-Backbone interact. energy: -0.528 local terms energy: -67.253131 where: bonds (distance) C4'-P energy: -16.230 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -14.871 flat angles P-C4'-P energy: -10.781 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: 3, replica: 3 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -141.445095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.445095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.445095 (E_RNA) where: Base-Base interactions energy: -84.225 where: short stacking energy: -51.789 Base-Backbone interact. energy: -1.348 local terms energy: -55.872605 where: bonds (distance) C4'-P energy: -8.319 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -11.639 flat angles P-C4'-P energy: -7.745 tors. eta vs tors. theta energy: -11.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -139.598350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.598350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.598350 (E_RNA) where: Base-Base interactions energy: -84.354 where: short stacking energy: -58.143 Base-Backbone interact. energy: -0.005 local terms energy: -55.239687 where: bonds (distance) C4'-P energy: -10.754 bonds (distance) P-C4' energy: -11.997 flat angles C4'-P-C4' energy: -12.183 flat angles P-C4'-P energy: -9.634 tors. eta vs tors. theta energy: -10.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -125.593178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.593178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.593178 (E_RNA) where: Base-Base interactions energy: -73.004 where: short stacking energy: -51.745 Base-Backbone interact. energy: -0.566 local terms energy: -52.023303 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -12.584 flat angles C4'-P-C4' energy: -14.222 flat angles P-C4'-P energy: -10.302 tors. eta vs tors. theta energy: -6.741 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: 2 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -136.592176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.592176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.592176 (E_RNA) where: Base-Base interactions energy: -75.121 where: short stacking energy: -48.585 Base-Backbone interact. energy: -0.003 local terms energy: -61.468230 where: bonds (distance) C4'-P energy: -14.130 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -12.679 flat angles P-C4'-P energy: -8.605 tors. eta vs tors. theta energy: -13.455 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: 7, replica: 10 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -93.789140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.789140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.789140 (E_RNA) where: Base-Base interactions energy: -48.415 where: short stacking energy: -48.415 Base-Backbone interact. energy: -0.145 local terms energy: -45.229640 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -5.131 tors. eta vs tors. theta energy: -9.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -103.548496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.548496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.548496 (E_RNA) where: Base-Base interactions energy: -47.157 where: short stacking energy: -47.157 Base-Backbone interact. energy: -0.037 local terms energy: -56.354342 where: bonds (distance) C4'-P energy: -9.416 bonds (distance) P-C4' energy: -14.998 flat angles C4'-P-C4' energy: -11.710 flat angles P-C4'-P energy: -7.742 tors. eta vs tors. theta energy: -12.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -81.470465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.470465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.470465 (E_RNA) where: Base-Base interactions energy: -38.258 where: short stacking energy: -33.241 Base-Backbone interact. energy: -0.080 local terms energy: -43.132803 where: bonds (distance) C4'-P energy: -9.557 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -8.827 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: -6.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -76.918490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.918490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.918490 (E_RNA) where: Base-Base interactions energy: -34.013 where: short stacking energy: -31.496 Base-Backbone interact. energy: -0.003 local terms energy: -42.902358 where: bonds (distance) C4'-P energy: -10.438 bonds (distance) P-C4' energy: -11.887 flat angles C4'-P-C4' energy: -10.815 flat angles P-C4'-P energy: -5.630 tors. eta vs tors. theta energy: -4.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -172.220766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.220766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.220766 (E_RNA) where: Base-Base interactions energy: -104.865 where: short stacking energy: -68.051 Base-Backbone interact. energy: -0.000 local terms energy: -67.355209 where: bonds (distance) C4'-P energy: -12.012 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -15.280 flat angles P-C4'-P energy: -9.778 tors. eta vs tors. theta energy: -17.032 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: 7 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -144.178279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.178279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.178279 (E_RNA) where: Base-Base interactions energy: -82.185 where: short stacking energy: -56.005 Base-Backbone interact. energy: -0.033 local terms energy: -61.959964 where: bonds (distance) C4'-P energy: -10.702 bonds (distance) P-C4' energy: -13.222 flat angles C4'-P-C4' energy: -15.511 flat angles P-C4'-P energy: -11.151 tors. eta vs tors. theta energy: -11.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -134.352210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.352210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.352210 (E_RNA) where: Base-Base interactions energy: -76.959 where: short stacking energy: -45.002 Base-Backbone interact. energy: -0.613 local terms energy: -56.780150 where: bonds (distance) C4'-P energy: -12.198 bonds (distance) P-C4' energy: -10.243 flat angles C4'-P-C4' energy: -13.445 flat angles P-C4'-P energy: -12.359 tors. eta vs tors. theta energy: -8.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -126.582359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.582359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.582359 (E_RNA) where: Base-Base interactions energy: -70.610 where: short stacking energy: -55.193 Base-Backbone interact. energy: -0.067 local terms energy: -55.905604 where: bonds (distance) C4'-P energy: -15.373 bonds (distance) P-C4' energy: -10.381 flat angles C4'-P-C4' energy: -10.286 flat angles P-C4'-P energy: -8.688 tors. eta vs tors. theta energy: -11.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -150.020962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.020962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.020962 (E_RNA) where: Base-Base interactions energy: -94.508 where: short stacking energy: -56.639 Base-Backbone interact. energy: -0.025 local terms energy: -55.488165 where: bonds (distance) C4'-P energy: -10.604 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -11.751 flat angles P-C4'-P energy: -7.775 tors. eta vs tors. theta energy: -11.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -136.105889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.105889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.105889 (E_RNA) where: Base-Base interactions energy: -78.319 where: short stacking energy: -45.173 Base-Backbone interact. energy: -0.059 local terms energy: -57.727616 where: bonds (distance) C4'-P energy: -13.208 bonds (distance) P-C4' energy: -13.702 flat angles C4'-P-C4' energy: -13.278 flat angles P-C4'-P energy: -10.897 tors. eta vs tors. theta energy: -6.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -96.685441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.685441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.685441 (E_RNA) where: Base-Base interactions energy: -44.759 where: short stacking energy: -44.759 Base-Backbone interact. energy: -0.853 local terms energy: -51.073307 where: bonds (distance) C4'-P energy: -10.857 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -13.123 flat angles P-C4'-P energy: -8.382 tors. eta vs tors. theta energy: -2.950 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: 8, replica: 5 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -90.322242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.322242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.322242 (E_RNA) where: Base-Base interactions energy: -44.939 where: short stacking energy: -44.939 Base-Backbone interact. energy: -0.185 local terms energy: -45.199057 where: bonds (distance) C4'-P energy: -7.561 bonds (distance) P-C4' energy: -9.071 flat angles C4'-P-C4' energy: -13.846 flat angles P-C4'-P energy: -10.284 tors. eta vs tors. theta energy: -4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -81.879190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.879190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.879190 (E_RNA) where: Base-Base interactions energy: -33.580 where: short stacking energy: -33.580 Base-Backbone interact. energy: -0.093 local terms energy: -48.205510 where: bonds (distance) C4'-P energy: -12.438 bonds (distance) P-C4' energy: -10.535 flat angles C4'-P-C4' energy: -7.852 flat angles P-C4'-P energy: -8.528 tors. eta vs tors. theta energy: -8.853 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: 10, replica: 6 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -75.403101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.403101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.403101 (E_RNA) where: Base-Base interactions energy: -29.672 where: short stacking energy: -25.719 Base-Backbone interact. energy: -0.920 local terms energy: -44.810888 where: bonds (distance) C4'-P energy: -11.456 bonds (distance) P-C4' energy: -12.803 flat angles C4'-P-C4' energy: -7.214 flat angles P-C4'-P energy: -9.886 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -147.390440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.390440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.390440 (E_RNA) where: Base-Base interactions energy: -81.760 where: short stacking energy: -53.854 Base-Backbone interact. energy: 0.105 local terms energy: -65.735583 where: bonds (distance) C4'-P energy: -15.153 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -11.367 flat angles P-C4'-P energy: -9.939 tors. eta vs tors. theta energy: -13.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -155.895217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.895217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.895217 (E_RNA) where: Base-Base interactions energy: -95.146 where: short stacking energy: -55.118 Base-Backbone interact. energy: 0.260 local terms energy: -61.009402 where: bonds (distance) C4'-P energy: -13.422 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -15.605 flat angles P-C4'-P energy: -7.901 tors. eta vs tors. theta energy: -9.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -136.987889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.987889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.987889 (E_RNA) where: Base-Base interactions energy: -85.955 where: short stacking energy: -50.965 Base-Backbone interact. energy: 0.338 local terms energy: -51.370852 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -13.123 flat angles C4'-P-C4' energy: -10.393 flat angles P-C4'-P energy: -8.979 tors. eta vs tors. theta energy: -6.416 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: 4, replica: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -138.631803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.631803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.631803 (E_RNA) where: Base-Base interactions energy: -77.707 where: short stacking energy: -61.825 Base-Backbone interact. energy: -0.062 local terms energy: -60.863413 where: bonds (distance) C4'-P energy: -12.657 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -11.969 flat angles P-C4'-P energy: -10.280 tors. eta vs tors. theta energy: -11.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -142.562364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.562364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.562364 (E_RNA) where: Base-Base interactions energy: -86.294 where: short stacking energy: -45.595 Base-Backbone interact. energy: -0.352 local terms energy: -55.915781 where: bonds (distance) C4'-P energy: -11.883 bonds (distance) P-C4' energy: -13.121 flat angles C4'-P-C4' energy: -11.503 flat angles P-C4'-P energy: -9.087 tors. eta vs tors. theta energy: -10.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -129.465467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.465467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.465467 (E_RNA) where: Base-Base interactions energy: -70.561 where: short stacking energy: -39.831 Base-Backbone interact. energy: -0.019 local terms energy: -58.885336 where: bonds (distance) C4'-P energy: -9.739 bonds (distance) P-C4' energy: -11.572 flat angles C4'-P-C4' energy: -15.540 flat angles P-C4'-P energy: -10.028 tors. eta vs tors. theta energy: -12.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -94.906967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.906967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.906967 (E_RNA) where: Base-Base interactions energy: -45.090 where: short stacking energy: -45.090 Base-Backbone interact. energy: 0.472 local terms energy: -50.288880 where: bonds (distance) C4'-P energy: -9.984 bonds (distance) P-C4' energy: -13.581 flat angles C4'-P-C4' energy: -11.445 flat angles P-C4'-P energy: -7.234 tors. eta vs tors. theta energy: -8.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -86.390887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.390887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.390887 (E_RNA) where: Base-Base interactions energy: -43.662 where: short stacking energy: -32.218 Base-Backbone interact. energy: 0.297 local terms energy: -43.025904 where: bonds (distance) C4'-P energy: -9.469 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -12.778 flat angles P-C4'-P energy: -5.611 tors. eta vs tors. theta energy: -1.745 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: 6 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -80.495897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.495897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.495897 (E_RNA) where: Base-Base interactions energy: -40.167 where: short stacking energy: -24.271 Base-Backbone interact. energy: -0.087 local terms energy: -40.241390 where: bonds (distance) C4'-P energy: -9.682 bonds (distance) P-C4' energy: -14.073 flat angles C4'-P-C4' energy: -10.645 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -0.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -71.618072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.618072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.618072 (E_RNA) where: Base-Base interactions energy: -28.513 where: short stacking energy: -25.638 Base-Backbone interact. energy: -0.241 local terms energy: -42.864339 where: bonds (distance) C4'-P energy: -10.897 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -9.269 flat angles P-C4'-P energy: -8.908 tors. eta vs tors. theta energy: -0.249 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: 7 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -154.996035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.996035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.996035 (E_RNA) where: Base-Base interactions energy: -91.078 where: short stacking energy: -57.751 Base-Backbone interact. energy: -0.007 local terms energy: -63.911749 where: bonds (distance) C4'-P energy: -14.334 bonds (distance) P-C4' energy: -11.958 flat angles C4'-P-C4' energy: -13.390 flat angles P-C4'-P energy: -10.949 tors. eta vs tors. theta energy: -13.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -142.423452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.423452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.423452 (E_RNA) where: Base-Base interactions energy: -90.320 where: short stacking energy: -52.591 Base-Backbone interact. energy: -0.066 local terms energy: -52.037834 where: bonds (distance) C4'-P energy: -12.388 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -12.125 flat angles P-C4'-P energy: -2.391 tors. eta vs tors. theta energy: -11.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -147.536945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.536945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.536945 (E_RNA) where: Base-Base interactions energy: -82.024 where: short stacking energy: -54.041 Base-Backbone interact. energy: -0.014 local terms energy: -65.499782 where: bonds (distance) C4'-P energy: -13.800 bonds (distance) P-C4' energy: -14.498 flat angles C4'-P-C4' energy: -13.716 flat angles P-C4'-P energy: -9.688 tors. eta vs tors. theta energy: -13.798 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: 4, replica: 4 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -128.225169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.225169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.225169 (E_RNA) where: Base-Base interactions energy: -77.609 where: short stacking energy: -42.742 Base-Backbone interact. energy: -0.022 local terms energy: -50.593857 where: bonds (distance) C4'-P energy: -15.588 bonds (distance) P-C4' energy: -14.357 flat angles C4'-P-C4' energy: -11.842 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -5.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -101.654272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.654272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.654272 (E_RNA) where: Base-Base interactions energy: -50.036 where: short stacking energy: -44.542 Base-Backbone interact. energy: -0.007 local terms energy: -51.611907 where: bonds (distance) C4'-P energy: -11.773 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -13.420 flat angles P-C4'-P energy: -6.411 tors. eta vs tors. theta energy: -4.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -93.531990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.531990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.531990 (E_RNA) where: Base-Base interactions energy: -42.474 where: short stacking energy: -42.474 Base-Backbone interact. energy: 3.340 local terms energy: -54.397725 where: bonds (distance) C4'-P energy: -12.500 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -10.073 flat angles P-C4'-P energy: -9.546 tors. eta vs tors. theta energy: -7.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -123.786483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.786483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.786483 (E_RNA) where: Base-Base interactions energy: -71.870 where: short stacking energy: -47.149 Base-Backbone interact. energy: -0.014 local terms energy: -51.902113 where: bonds (distance) C4'-P energy: -12.861 bonds (distance) P-C4' energy: -8.483 flat angles C4'-P-C4' energy: -13.934 flat angles P-C4'-P energy: -7.197 tors. eta vs tors. theta energy: -9.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -88.023988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.023988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.023988 (E_RNA) where: Base-Base interactions energy: -34.590 where: short stacking energy: -25.060 Base-Backbone interact. energy: -0.030 local terms energy: -53.404308 where: bonds (distance) C4'-P energy: -13.569 bonds (distance) P-C4' energy: -14.728 flat angles C4'-P-C4' energy: -10.463 flat angles P-C4'-P energy: -10.554 tors. eta vs tors. theta energy: -4.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -74.055986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.055986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.055986 (E_RNA) where: Base-Base interactions energy: -31.281 where: short stacking energy: -31.281 Base-Backbone interact. energy: -0.080 local terms energy: -42.695178 where: bonds (distance) C4'-P energy: -10.247 bonds (distance) P-C4' energy: -11.236 flat angles C4'-P-C4' energy: -12.148 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: -2.579 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: 10, replica: 9 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -71.572759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.572759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.572759 (E_RNA) where: Base-Base interactions energy: -31.584 where: short stacking energy: -31.584 Base-Backbone interact. energy: -0.250 local terms energy: -39.739313 where: bonds (distance) C4'-P energy: -9.566 bonds (distance) P-C4' energy: -5.612 flat angles C4'-P-C4' energy: -8.795 flat angles P-C4'-P energy: -11.571 tors. eta vs tors. theta energy: -4.195 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: 1, replica: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -148.342804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.342804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.342804 (E_RNA) where: Base-Base interactions energy: -85.132 where: short stacking energy: -55.505 Base-Backbone interact. energy: -0.014 local terms energy: -63.196470 where: bonds (distance) C4'-P energy: -11.876 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -14.791 flat angles P-C4'-P energy: -9.798 tors. eta vs tors. theta energy: -11.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -141.685630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.685630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.685630 (E_RNA) where: Base-Base interactions energy: -88.820 where: short stacking energy: -58.641 Base-Backbone interact. energy: -0.130 local terms energy: -52.736126 where: bonds (distance) C4'-P energy: -11.122 bonds (distance) P-C4' energy: -11.311 flat angles C4'-P-C4' energy: -10.532 flat angles P-C4'-P energy: -9.166 tors. eta vs tors. theta energy: -10.604 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: 3, replica: 4 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -148.419823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.419823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.419823 (E_RNA) where: Base-Base interactions energy: -87.533 where: short stacking energy: -54.715 Base-Backbone interact. energy: -0.257 local terms energy: -60.629009 where: bonds (distance) C4'-P energy: -13.689 bonds (distance) P-C4' energy: -11.753 flat angles C4'-P-C4' energy: -15.411 flat angles P-C4'-P energy: -7.979 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: 4, replica: 1 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -139.554305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.554305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.554305 (E_RNA) where: Base-Base interactions energy: -78.429 where: short stacking energy: -50.981 Base-Backbone interact. energy: -0.030 local terms energy: -61.094630 where: bonds (distance) C4'-P energy: -12.417 bonds (distance) P-C4' energy: -15.273 flat angles C4'-P-C4' energy: -13.926 flat angles P-C4'-P energy: -8.770 tors. eta vs tors. theta energy: -10.709 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: 10 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -106.492685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.492685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.492685 (E_RNA) where: Base-Base interactions energy: -47.973 where: short stacking energy: -46.700 Base-Backbone interact. energy: -0.049 local terms energy: -58.470861 where: bonds (distance) C4'-P energy: -14.918 bonds (distance) P-C4' energy: -12.604 flat angles C4'-P-C4' energy: -11.555 flat angles P-C4'-P energy: -9.361 tors. eta vs tors. theta energy: -10.032 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: 228 Temperature: 1.150000 Total energy: -94.214962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.214962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.214962 (E_RNA) where: Base-Base interactions energy: -40.947 where: short stacking energy: -40.947 Base-Backbone interact. energy: -0.007 local terms energy: -53.261343 where: bonds (distance) C4'-P energy: -12.922 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -12.159 flat angles P-C4'-P energy: -7.670 tors. eta vs tors. theta energy: -6.959 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: 2 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -113.116766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.116766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.116766 (E_RNA) where: Base-Base interactions energy: -59.060 where: short stacking energy: -40.382 Base-Backbone interact. energy: -0.157 local terms energy: -53.900075 where: bonds (distance) C4'-P energy: -13.787 bonds (distance) P-C4' energy: -11.928 flat angles C4'-P-C4' energy: -12.098 flat angles P-C4'-P energy: -9.173 tors. eta vs tors. theta energy: -6.914 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: 6 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -71.378321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.378321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.378321 (E_RNA) where: Base-Base interactions energy: -29.673 where: short stacking energy: -28.265 Base-Backbone interact. energy: -0.466 local terms energy: -41.239318 where: bonds (distance) C4'-P energy: -11.264 bonds (distance) P-C4' energy: -10.153 flat angles C4'-P-C4' energy: -11.637 flat angles P-C4'-P energy: -7.207 tors. eta vs tors. theta energy: -0.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -82.984211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.984211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.984211 (E_RNA) where: Base-Base interactions energy: -37.733 where: short stacking energy: -33.256 Base-Backbone interact. energy: -0.041 local terms energy: -45.209979 where: bonds (distance) C4'-P energy: -8.112 bonds (distance) P-C4' energy: -10.822 flat angles C4'-P-C4' energy: -13.086 flat angles P-C4'-P energy: -5.112 tors. eta vs tors. theta energy: -8.077 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: 10, replica: 5 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -69.161025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.161025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.161025 (E_RNA) where: Base-Base interactions energy: -28.389 where: short stacking energy: -26.342 Base-Backbone interact. energy: -0.115 local terms energy: -40.656154 where: bonds (distance) C4'-P energy: -5.127 bonds (distance) P-C4' energy: -11.065 flat angles C4'-P-C4' energy: -11.689 flat angles P-C4'-P energy: -9.162 tors. eta vs tors. theta energy: -3.613 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: 3 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -144.692846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.692846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.692846 (E_RNA) where: Base-Base interactions energy: -85.673 where: short stacking energy: -63.057 Base-Backbone interact. energy: -0.004 local terms energy: -59.016651 where: bonds (distance) C4'-P energy: -14.856 bonds (distance) P-C4' energy: -15.014 flat angles C4'-P-C4' energy: -11.730 flat angles P-C4'-P energy: -7.772 tors. eta vs tors. theta energy: -9.644 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: 229 Temperature: 0.950000 Total energy: -153.877371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.877371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.877371 (E_RNA) where: Base-Base interactions energy: -91.154 where: short stacking energy: -57.637 Base-Backbone interact. energy: -0.007 local terms energy: -62.715838 where: bonds (distance) C4'-P energy: -13.642 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -11.694 flat angles P-C4'-P energy: -7.984 tors. eta vs tors. theta energy: -14.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -134.105853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.105853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.105853 (E_RNA) where: Base-Base interactions energy: -81.178 where: short stacking energy: -50.976 Base-Backbone interact. energy: -0.118 local terms energy: -52.809926 where: bonds (distance) C4'-P energy: -11.362 bonds (distance) P-C4' energy: -11.855 flat angles C4'-P-C4' energy: -12.760 flat angles P-C4'-P energy: -6.989 tors. eta vs tors. theta energy: -9.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -137.595677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.595677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.595677 (E_RNA) where: Base-Base interactions energy: -80.342 where: short stacking energy: -53.927 Base-Backbone interact. energy: -0.056 local terms energy: -57.198229 where: bonds (distance) C4'-P energy: -12.131 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -7.519 flat angles P-C4'-P energy: -8.355 tors. eta vs tors. theta energy: -15.696 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: 10 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -97.888396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.888396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.888396 (E_RNA) where: Base-Base interactions energy: -42.831 where: short stacking energy: -42.831 Base-Backbone interact. energy: 0.476 local terms energy: -55.533345 where: bonds (distance) C4'-P energy: -11.784 bonds (distance) P-C4' energy: -14.759 flat angles C4'-P-C4' energy: -11.424 flat angles P-C4'-P energy: -8.604 tors. eta vs tors. theta energy: -8.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -129.938491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.938491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.938491 (E_RNA) where: Base-Base interactions energy: -74.091 where: short stacking energy: -47.887 Base-Backbone interact. energy: -0.061 local terms energy: -55.786242 where: bonds (distance) C4'-P energy: -12.496 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -14.568 flat angles P-C4'-P energy: -8.196 tors. eta vs tors. theta energy: -7.413 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: 8 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -91.805339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.805339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.805339 (E_RNA) where: Base-Base interactions energy: -36.726 where: short stacking energy: -36.726 Base-Backbone interact. energy: -0.072 local terms energy: -55.006871 where: bonds (distance) C4'-P energy: -11.387 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -14.476 flat angles P-C4'-P energy: -8.473 tors. eta vs tors. theta energy: -7.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -78.292603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.292603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.292603 (E_RNA) where: Base-Base interactions energy: -28.376 where: short stacking energy: -28.376 Base-Backbone interact. energy: -0.047 local terms energy: -49.869617 where: bonds (distance) C4'-P energy: -13.896 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -11.730 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -3.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -75.262886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.262886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.262886 (E_RNA) where: Base-Base interactions energy: -39.745 where: short stacking energy: -38.743 Base-Backbone interact. energy: -0.156 local terms energy: -35.362133 where: bonds (distance) C4'-P energy: -8.022 bonds (distance) P-C4' energy: -8.416 flat angles C4'-P-C4' energy: -11.225 flat angles P-C4'-P energy: -3.076 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -73.956156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.956156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.956156 (E_RNA) where: Base-Base interactions energy: -30.930 where: short stacking energy: -30.930 Base-Backbone interact. energy: -0.096 local terms energy: -42.930301 where: bonds (distance) C4'-P energy: -12.674 bonds (distance) P-C4' energy: -5.581 flat angles C4'-P-C4' energy: -9.497 flat angles P-C4'-P energy: -9.841 tors. eta vs tors. theta energy: -5.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -164.566431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.566431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.566431 (E_RNA) where: Base-Base interactions energy: -99.236 where: short stacking energy: -60.027 Base-Backbone interact. energy: -0.007 local terms energy: -65.323698 where: bonds (distance) C4'-P energy: -15.088 bonds (distance) P-C4' energy: -13.902 flat angles C4'-P-C4' energy: -14.467 flat angles P-C4'-P energy: -8.535 tors. eta vs tors. theta energy: -13.332 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: 3 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -144.171617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.171617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.171617 (E_RNA) where: Base-Base interactions energy: -87.350 where: short stacking energy: -59.296 Base-Backbone interact. energy: -0.029 local terms energy: -56.793299 where: bonds (distance) C4'-P energy: -14.521 bonds (distance) P-C4' energy: -12.726 flat angles C4'-P-C4' energy: -10.871 flat angles P-C4'-P energy: -7.791 tors. eta vs tors. theta energy: -10.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -131.031228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.031228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.031228 (E_RNA) where: Base-Base interactions energy: -73.590 where: short stacking energy: -44.303 Base-Backbone interact. energy: -0.178 local terms energy: -57.262584 where: bonds (distance) C4'-P energy: -14.851 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -13.641 flat angles P-C4'-P energy: -9.930 tors. eta vs tors. theta energy: -5.949 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: 7 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -137.396495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.396495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.396495 (E_RNA) where: Base-Base interactions energy: -75.700 where: short stacking energy: -48.185 Base-Backbone interact. energy: -0.006 local terms energy: -61.690546 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -14.399 flat angles P-C4'-P energy: -7.626 tors. eta vs tors. theta energy: -10.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -130.378652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.378652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.378652 (E_RNA) where: Base-Base interactions energy: -80.024 where: short stacking energy: -42.163 Base-Backbone interact. energy: 0.595 local terms energy: -50.949464 where: bonds (distance) C4'-P energy: -12.451 bonds (distance) P-C4' energy: -13.806 flat angles C4'-P-C4' energy: -12.735 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -8.258 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: 6, replica: 10 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -115.329325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.329325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.329325 (E_RNA) where: Base-Base interactions energy: -62.954 where: short stacking energy: -40.404 Base-Backbone interact. energy: -0.346 local terms energy: -52.029486 where: bonds (distance) C4'-P energy: -12.578 bonds (distance) P-C4' energy: -10.805 flat angles C4'-P-C4' energy: -13.265 flat angles P-C4'-P energy: -7.732 tors. eta vs tors. theta energy: -7.650 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: 9 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -95.291514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.291514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.291514 (E_RNA) where: Base-Base interactions energy: -41.264 where: short stacking energy: -43.304 Base-Backbone interact. energy: -0.360 local terms energy: -53.667183 where: bonds (distance) C4'-P energy: -10.728 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -13.041 flat angles P-C4'-P energy: -5.450 tors. eta vs tors. theta energy: -9.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -79.421713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.421713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.421713 (E_RNA) where: Base-Base interactions energy: -34.643 where: short stacking energy: -20.640 Base-Backbone interact. energy: -0.185 local terms energy: -44.592831 where: bonds (distance) C4'-P energy: -13.014 bonds (distance) P-C4' energy: -12.247 flat angles C4'-P-C4' energy: -8.681 flat angles P-C4'-P energy: -4.764 tors. eta vs tors. theta energy: -5.887 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: 5 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -77.371671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.371671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.371671 (E_RNA) where: Base-Base interactions energy: -28.765 where: short stacking energy: -17.700 Base-Backbone interact. energy: -1.153 local terms energy: -47.453248 where: bonds (distance) C4'-P energy: -10.616 bonds (distance) P-C4' energy: -12.335 flat angles C4'-P-C4' energy: -11.057 flat angles P-C4'-P energy: -10.849 tors. eta vs tors. theta energy: -2.596 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: 6 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -67.292135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.292135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.292135 (E_RNA) where: Base-Base interactions energy: -27.058 where: short stacking energy: -24.578 Base-Backbone interact. energy: -0.202 local terms energy: -40.031992 where: bonds (distance) C4'-P energy: -13.071 bonds (distance) P-C4' energy: -10.863 flat angles C4'-P-C4' energy: -10.927 flat angles P-C4'-P energy: -6.792 tors. eta vs tors. theta energy: 1.621 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: 4 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -161.471194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.471194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.471194 (E_RNA) where: Base-Base interactions energy: -97.505 where: short stacking energy: -63.679 Base-Backbone interact. energy: -0.002 local terms energy: -63.964215 where: bonds (distance) C4'-P energy: -13.166 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -12.353 flat angles P-C4'-P energy: -10.187 tors. eta vs tors. theta energy: -13.969 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: 3 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -152.514255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.514255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.514255 (E_RNA) where: Base-Base interactions energy: -90.798 where: short stacking energy: -61.474 Base-Backbone interact. energy: -0.024 local terms energy: -61.692602 where: bonds (distance) C4'-P energy: -8.380 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -12.986 flat angles P-C4'-P energy: -10.448 tors. eta vs tors. theta energy: -14.101 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: 231 Temperature: 1.000000 Total energy: -163.586633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.586633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.586633 (E_RNA) where: Base-Base interactions energy: -103.827 where: short stacking energy: -62.978 Base-Backbone interact. energy: 0.227 local terms energy: -59.987345 where: bonds (distance) C4'-P energy: -10.999 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -14.105 flat angles P-C4'-P energy: -7.455 tors. eta vs tors. theta energy: -14.993 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: 2 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -145.556512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.556512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.556512 (E_RNA) where: Base-Base interactions energy: -89.304 where: short stacking energy: -57.366 Base-Backbone interact. energy: -0.004 local terms energy: -56.248987 where: bonds (distance) C4'-P energy: -11.605 bonds (distance) P-C4' energy: -15.216 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -15.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -144.364006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.364006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.364006 (E_RNA) where: Base-Base interactions energy: -85.896 where: short stacking energy: -61.825 Base-Backbone interact. energy: -0.004 local terms energy: -58.463787 where: bonds (distance) C4'-P energy: -11.936 bonds (distance) P-C4' energy: -13.354 flat angles C4'-P-C4' energy: -14.071 flat angles P-C4'-P energy: -6.943 tors. eta vs tors. theta energy: -12.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -101.561315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.561315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.561315 (E_RNA) where: Base-Base interactions energy: -41.812 where: short stacking energy: -35.052 Base-Backbone interact. energy: -0.131 local terms energy: -59.617878 where: bonds (distance) C4'-P energy: -13.385 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -13.755 flat angles P-C4'-P energy: -9.890 tors. eta vs tors. theta energy: -9.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -90.933674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.933674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.933674 (E_RNA) where: Base-Base interactions energy: -44.666 where: short stacking energy: -44.666 Base-Backbone interact. energy: 1.118 local terms energy: -47.386146 where: bonds (distance) C4'-P energy: -11.871 bonds (distance) P-C4' energy: -10.026 flat angles C4'-P-C4' energy: -14.072 flat angles P-C4'-P energy: -5.681 tors. eta vs tors. theta energy: -5.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -81.793924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.793924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.793924 (E_RNA) where: Base-Base interactions energy: -30.874 where: short stacking energy: -27.086 Base-Backbone interact. energy: 0.182 local terms energy: -51.102257 where: bonds (distance) C4'-P energy: -11.023 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -10.978 flat angles P-C4'-P energy: -8.847 tors. eta vs tors. theta energy: -6.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -78.528704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.528704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.528704 (E_RNA) where: Base-Base interactions energy: -36.709 where: short stacking energy: -30.751 Base-Backbone interact. energy: 5.648 local terms energy: -47.467927 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -10.314 flat angles P-C4'-P energy: -10.361 tors. eta vs tors. theta energy: -1.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -82.046126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.046126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.046126 (E_RNA) where: Base-Base interactions energy: -29.769 where: short stacking energy: -29.769 Base-Backbone interact. energy: -0.158 local terms energy: -52.119839 where: bonds (distance) C4'-P energy: -12.901 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -10.384 flat angles P-C4'-P energy: -11.035 tors. eta vs tors. theta energy: -3.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -154.169282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.169282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.169282 (E_RNA) where: Base-Base interactions energy: -94.051 where: short stacking energy: -56.511 Base-Backbone interact. energy: -0.008 local terms energy: -60.110527 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -12.471 flat angles C4'-P-C4' energy: -12.569 flat angles P-C4'-P energy: -8.208 tors. eta vs tors. theta energy: -13.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -149.233722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.233722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.233722 (E_RNA) where: Base-Base interactions energy: -83.587 where: short stacking energy: -48.990 Base-Backbone interact. energy: -0.203 local terms energy: -65.443838 where: bonds (distance) C4'-P energy: -14.136 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -13.831 flat angles P-C4'-P energy: -11.001 tors. eta vs tors. theta energy: -11.821 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: 232 Temperature: 1.000000 Total energy: -154.682285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.682285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.682285 (E_RNA) where: Base-Base interactions energy: -86.632 where: short stacking energy: -55.337 Base-Backbone interact. energy: -0.003 local terms energy: -68.047880 where: bonds (distance) C4'-P energy: -14.388 bonds (distance) P-C4' energy: -13.508 flat angles C4'-P-C4' energy: -13.807 flat angles P-C4'-P energy: -11.878 tors. eta vs tors. theta energy: -14.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -141.076740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.076740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.076740 (E_RNA) where: Base-Base interactions energy: -84.518 where: short stacking energy: -51.861 Base-Backbone interact. energy: -1.201 local terms energy: -55.357443 where: bonds (distance) C4'-P energy: -11.146 bonds (distance) P-C4' energy: -11.411 flat angles C4'-P-C4' energy: -14.831 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: -12.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -125.035151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.035151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.035151 (E_RNA) where: Base-Base interactions energy: -74.787 where: short stacking energy: -46.245 Base-Backbone interact. energy: 0.376 local terms energy: -50.624324 where: bonds (distance) C4'-P energy: -12.388 bonds (distance) P-C4' energy: -13.076 flat angles C4'-P-C4' energy: -13.221 flat angles P-C4'-P energy: -7.630 tors. eta vs tors. theta energy: -4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -99.327612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.327612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.327612 (E_RNA) where: Base-Base interactions energy: -50.218 where: short stacking energy: -49.953 Base-Backbone interact. energy: -0.014 local terms energy: -49.095498 where: bonds (distance) C4'-P energy: -6.717 bonds (distance) P-C4' energy: -12.471 flat angles C4'-P-C4' energy: -11.581 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -13.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -91.043518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.043518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.043518 (E_RNA) where: Base-Base interactions energy: -40.128 where: short stacking energy: -32.023 Base-Backbone interact. energy: -0.396 local terms energy: -50.519300 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -9.796 flat angles P-C4'-P energy: -7.368 tors. eta vs tors. theta energy: -6.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -85.457023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.457023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.457023 (E_RNA) where: Base-Base interactions energy: -37.657 where: short stacking energy: -34.786 Base-Backbone interact. energy: -0.261 local terms energy: -47.538632 where: bonds (distance) C4'-P energy: -4.948 bonds (distance) P-C4' energy: -14.173 flat angles C4'-P-C4' energy: -11.021 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -9.156 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: 9, replica: 6 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -75.900241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.900241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.900241 (E_RNA) where: Base-Base interactions energy: -31.913 where: short stacking energy: -25.728 Base-Backbone interact. energy: -0.442 local terms energy: -43.545334 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -12.691 flat angles C4'-P-C4' energy: -9.252 flat angles P-C4'-P energy: -6.177 tors. eta vs tors. theta energy: -2.221 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: 8 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -76.572550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.572550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.572550 (E_RNA) where: Base-Base interactions energy: -27.813 where: short stacking energy: -21.499 Base-Backbone interact. energy: -0.029 local terms energy: -48.730770 where: bonds (distance) C4'-P energy: -10.789 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -13.567 flat angles P-C4'-P energy: -6.046 tors. eta vs tors. theta energy: -3.965 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: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -156.741043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.741043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.741043 (E_RNA) where: Base-Base interactions energy: -90.416 where: short stacking energy: -56.887 Base-Backbone interact. energy: -0.140 local terms energy: -66.185280 where: bonds (distance) C4'-P energy: -13.900 bonds (distance) P-C4' energy: -13.662 flat angles C4'-P-C4' energy: -13.968 flat angles P-C4'-P energy: -8.860 tors. eta vs tors. theta energy: -15.797 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: 2, replica: 1 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -138.305830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.305830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.305830 (E_RNA) where: Base-Base interactions energy: -78.796 where: short stacking energy: -53.019 Base-Backbone interact. energy: -0.008 local terms energy: -59.501757 where: bonds (distance) C4'-P energy: -12.364 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -14.310 flat angles P-C4'-P energy: -9.181 tors. eta vs tors. theta energy: -9.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -155.743836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.743836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.743836 (E_RNA) where: Base-Base interactions energy: -93.333 where: short stacking energy: -65.655 Base-Backbone interact. energy: -0.003 local terms energy: -62.408523 where: bonds (distance) C4'-P energy: -11.855 bonds (distance) P-C4' energy: -14.271 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -8.127 tors. eta vs tors. theta energy: -14.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -142.054809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.054809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.054809 (E_RNA) where: Base-Base interactions energy: -87.918 where: short stacking energy: -55.526 Base-Backbone interact. energy: -0.537 local terms energy: -53.599790 where: bonds (distance) C4'-P energy: -11.954 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -11.520 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -13.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -145.608421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.608421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.608421 (E_RNA) where: Base-Base interactions energy: -84.580 where: short stacking energy: -53.954 Base-Backbone interact. energy: -0.091 local terms energy: -60.936745 where: bonds (distance) C4'-P energy: -15.025 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -11.206 flat angles P-C4'-P energy: -3.992 tors. eta vs tors. theta energy: -15.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -88.838026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.838026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.838026 (E_RNA) where: Base-Base interactions energy: -41.697 where: short stacking energy: -37.726 Base-Backbone interact. energy: 0.827 local terms energy: -47.968192 where: bonds (distance) C4'-P energy: -9.938 bonds (distance) P-C4' energy: -10.092 flat angles C4'-P-C4' energy: -10.558 flat angles P-C4'-P energy: -9.091 tors. eta vs tors. theta energy: -8.289 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: 10 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -94.655731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.655731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.655731 (E_RNA) where: Base-Base interactions energy: -54.427 where: short stacking energy: -40.141 Base-Backbone interact. energy: -0.097 local terms energy: -40.131785 where: bonds (distance) C4'-P energy: -12.707 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -1.900 tors. eta vs tors. theta energy: -5.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -82.719763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.719763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.719763 (E_RNA) where: Base-Base interactions energy: -42.029 where: short stacking energy: -39.135 Base-Backbone interact. energy: -0.255 local terms energy: -40.436091 where: bonds (distance) C4'-P energy: -10.372 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -3.184 flat angles P-C4'-P energy: -8.327 tors. eta vs tors. theta energy: -5.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -70.939820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.939820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.939820 (E_RNA) where: Base-Base interactions energy: -32.658 where: short stacking energy: -19.021 Base-Backbone interact. energy: -0.069 local terms energy: -38.212887 where: bonds (distance) C4'-P energy: -11.395 bonds (distance) P-C4' energy: -11.659 flat angles C4'-P-C4' energy: -10.234 flat angles P-C4'-P energy: -6.324 tors. eta vs tors. theta energy: 1.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -96.748425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.748425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.748425 (E_RNA) where: Base-Base interactions energy: -43.997 where: short stacking energy: -32.184 Base-Backbone interact. energy: -0.001 local terms energy: -52.750049 where: bonds (distance) C4'-P energy: -11.330 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -12.416 flat angles P-C4'-P energy: -10.156 tors. eta vs tors. theta energy: -9.814 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: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -153.065360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.065360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.065360 (E_RNA) where: Base-Base interactions energy: -87.382 where: short stacking energy: -57.121 Base-Backbone interact. energy: -0.003 local terms energy: -65.681088 where: bonds (distance) C4'-P energy: -14.868 bonds (distance) P-C4' energy: -13.865 flat angles C4'-P-C4' energy: -15.227 flat angles P-C4'-P energy: -6.086 tors. eta vs tors. theta energy: -15.636 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: 1 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -150.901538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.901538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.901538 (E_RNA) where: Base-Base interactions energy: -90.582 where: short stacking energy: -59.003 Base-Backbone interact. energy: -0.575 local terms energy: -59.744520 where: bonds (distance) C4'-P energy: -14.954 bonds (distance) P-C4' energy: -10.362 flat angles C4'-P-C4' energy: -10.070 flat angles P-C4'-P energy: -11.384 tors. eta vs tors. theta energy: -12.974 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: 7 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -140.557700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.557700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.557700 (E_RNA) where: Base-Base interactions energy: -84.190 where: short stacking energy: -53.836 Base-Backbone interact. energy: 0.176 local terms energy: -56.543964 where: bonds (distance) C4'-P energy: -12.567 bonds (distance) P-C4' energy: -11.545 flat angles C4'-P-C4' energy: -13.046 flat angles P-C4'-P energy: -9.850 tors. eta vs tors. theta energy: -9.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -142.442003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.442003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.442003 (E_RNA) where: Base-Base interactions energy: -82.137 where: short stacking energy: -51.737 Base-Backbone interact. energy: -0.018 local terms energy: -60.286756 where: bonds (distance) C4'-P energy: -14.360 bonds (distance) P-C4' energy: -11.894 flat angles C4'-P-C4' energy: -9.797 flat angles P-C4'-P energy: -11.382 tors. eta vs tors. theta energy: -12.854 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: 2 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -131.655295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.655295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.655295 (E_RNA) where: Base-Base interactions energy: -72.009 where: short stacking energy: -48.722 Base-Backbone interact. energy: -0.180 local terms energy: -59.466232 where: bonds (distance) C4'-P energy: -11.706 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -12.721 flat angles P-C4'-P energy: -10.033 tors. eta vs tors. theta energy: -9.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -95.977499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.977499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.977499 (E_RNA) where: Base-Base interactions energy: -43.306 where: short stacking energy: -43.306 Base-Backbone interact. energy: -0.013 local terms energy: -52.658146 where: bonds (distance) C4'-P energy: -11.148 bonds (distance) P-C4' energy: -13.484 flat angles C4'-P-C4' energy: -12.919 flat angles P-C4'-P energy: -4.897 tors. eta vs tors. theta energy: -10.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -98.135767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.135767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.135767 (E_RNA) where: Base-Base interactions energy: -47.490 where: short stacking energy: -47.174 Base-Backbone interact. energy: -0.878 local terms energy: -49.767570 where: bonds (distance) C4'-P energy: -7.810 bonds (distance) P-C4' energy: -13.734 flat angles C4'-P-C4' energy: -12.850 flat angles P-C4'-P energy: -6.463 tors. eta vs tors. theta energy: -8.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -83.182412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.182412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.182412 (E_RNA) where: Base-Base interactions energy: -33.723 where: short stacking energy: -31.336 Base-Backbone interact. energy: -0.026 local terms energy: -49.434188 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -9.363 flat angles C4'-P-C4' energy: -11.106 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -6.156 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: 9, replica: 8 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -86.020825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.020825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.020825 (E_RNA) where: Base-Base interactions energy: -47.135 where: short stacking energy: -23.482 Base-Backbone interact. energy: -0.256 local terms energy: -38.629941 where: bonds (distance) C4'-P energy: -9.006 bonds (distance) P-C4' energy: -11.249 flat angles C4'-P-C4' energy: -8.209 flat angles P-C4'-P energy: -5.287 tors. eta vs tors. theta energy: -4.879 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: 9 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -91.914552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.914552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.914552 (E_RNA) where: Base-Base interactions energy: -49.844 where: short stacking energy: -34.429 Base-Backbone interact. energy: -0.100 local terms energy: -41.970301 where: bonds (distance) C4'-P energy: -10.905 bonds (distance) P-C4' energy: -8.865 flat angles C4'-P-C4' energy: -10.822 flat angles P-C4'-P energy: -2.114 tors. eta vs tors. theta energy: -9.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -145.608141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.608141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.608141 (E_RNA) where: Base-Base interactions energy: -82.835 where: short stacking energy: -57.663 Base-Backbone interact. energy: -0.436 local terms energy: -62.336925 where: bonds (distance) C4'-P energy: -12.123 bonds (distance) P-C4' energy: -14.280 flat angles C4'-P-C4' energy: -13.648 flat angles P-C4'-P energy: -11.115 tors. eta vs tors. theta energy: -11.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -144.068873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.068873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.068873 (E_RNA) where: Base-Base interactions energy: -86.043 where: short stacking energy: -51.088 Base-Backbone interact. energy: -0.079 local terms energy: -57.947219 where: bonds (distance) C4'-P energy: -13.746 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -10.238 flat angles P-C4'-P energy: -8.170 tors. eta vs tors. theta energy: -12.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -141.442820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.442820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.442820 (E_RNA) where: Base-Base interactions energy: -81.648 where: short stacking energy: -57.999 Base-Backbone interact. energy: -0.009 local terms energy: -59.785660 where: bonds (distance) C4'-P energy: -13.399 bonds (distance) P-C4' energy: -12.493 flat angles C4'-P-C4' energy: -9.961 flat angles P-C4'-P energy: -9.607 tors. eta vs tors. theta energy: -14.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -129.469465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.469465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.469465 (E_RNA) where: Base-Base interactions energy: -69.878 where: short stacking energy: -40.463 Base-Backbone interact. energy: -0.007 local terms energy: -59.584518 where: bonds (distance) C4'-P energy: -15.311 bonds (distance) P-C4' energy: -13.486 flat angles C4'-P-C4' energy: -10.596 flat angles P-C4'-P energy: -10.071 tors. eta vs tors. theta energy: -10.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -87.819659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.819659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.819659 (E_RNA) where: Base-Base interactions energy: -33.875 where: short stacking energy: -31.711 Base-Backbone interact. energy: 0.480 local terms energy: -54.425013 where: bonds (distance) C4'-P energy: -10.704 bonds (distance) P-C4' energy: -11.909 flat angles C4'-P-C4' energy: -15.256 flat angles P-C4'-P energy: -5.940 tors. eta vs tors. theta energy: -10.616 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: 5 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -91.077790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.077790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.077790 (E_RNA) where: Base-Base interactions energy: -42.472 where: short stacking energy: -38.394 Base-Backbone interact. energy: -0.095 local terms energy: -48.511610 where: bonds (distance) C4'-P energy: -10.911 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -9.392 flat angles P-C4'-P energy: -7.487 tors. eta vs tors. theta energy: -6.478 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: 6 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -96.988310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.988310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.988310 (E_RNA) where: Base-Base interactions energy: -44.414 where: short stacking energy: -42.687 Base-Backbone interact. energy: -0.063 local terms energy: -52.511606 where: bonds (distance) C4'-P energy: -12.816 bonds (distance) P-C4' energy: -11.093 flat angles C4'-P-C4' energy: -13.328 flat angles P-C4'-P energy: -7.738 tors. eta vs tors. theta energy: -7.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -80.709463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.709463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.709463 (E_RNA) where: Base-Base interactions energy: -32.688 where: short stacking energy: -26.242 Base-Backbone interact. energy: -0.027 local terms energy: -47.994679 where: bonds (distance) C4'-P energy: -11.308 bonds (distance) P-C4' energy: -13.501 flat angles C4'-P-C4' energy: -10.458 flat angles P-C4'-P energy: -7.513 tors. eta vs tors. theta energy: -5.216 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: 9, replica: 10 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -81.955929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.955929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.955929 (E_RNA) where: Base-Base interactions energy: -45.833 where: short stacking energy: -41.663 Base-Backbone interact. energy: -0.076 local terms energy: -36.046896 where: bonds (distance) C4'-P energy: -12.621 bonds (distance) P-C4' energy: -4.985 flat angles C4'-P-C4' energy: -10.453 flat angles P-C4'-P energy: -1.878 tors. eta vs tors. theta energy: -6.109 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: 9 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -71.072330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.072330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.072330 (E_RNA) where: Base-Base interactions energy: -28.930 where: short stacking energy: -28.281 Base-Backbone interact. energy: -0.213 local terms energy: -41.929451 where: bonds (distance) C4'-P energy: -8.551 bonds (distance) P-C4' energy: -13.627 flat angles C4'-P-C4' energy: -11.958 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: 0.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -140.699584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.699584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.699584 (E_RNA) where: Base-Base interactions energy: -79.841 where: short stacking energy: -47.289 Base-Backbone interact. energy: -0.091 local terms energy: -60.767633 where: bonds (distance) C4'-P energy: -12.985 bonds (distance) P-C4' energy: -14.015 flat angles C4'-P-C4' energy: -11.635 flat angles P-C4'-P energy: -9.067 tors. eta vs tors. theta energy: -13.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -166.571795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.571795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.571795 (E_RNA) where: Base-Base interactions energy: -101.523 where: short stacking energy: -59.654 Base-Backbone interact. energy: -0.389 local terms energy: -64.660011 where: bonds (distance) C4'-P energy: -12.922 bonds (distance) P-C4' energy: -15.248 flat angles C4'-P-C4' energy: -12.330 flat angles P-C4'-P energy: -8.826 tors. eta vs tors. theta energy: -15.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -150.247488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.247488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.247488 (E_RNA) where: Base-Base interactions energy: -96.383 where: short stacking energy: -54.340 Base-Backbone interact. energy: -0.006 local terms energy: -53.858424 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -15.767 flat angles C4'-P-C4' energy: -11.140 flat angles P-C4'-P energy: -8.126 tors. eta vs tors. theta energy: -6.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -132.006404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.006404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.006404 (E_RNA) where: Base-Base interactions energy: -77.561 where: short stacking energy: -47.755 Base-Backbone interact. energy: -0.095 local terms energy: -54.350854 where: bonds (distance) C4'-P energy: -12.570 bonds (distance) P-C4' energy: -10.346 flat angles C4'-P-C4' energy: -11.680 flat angles P-C4'-P energy: -8.568 tors. eta vs tors. theta energy: -11.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -103.145169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.145169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.145169 (E_RNA) where: Base-Base interactions energy: -44.347 where: short stacking energy: -43.008 Base-Backbone interact. energy: -0.093 local terms energy: -58.704874 where: bonds (distance) C4'-P energy: -14.122 bonds (distance) P-C4' energy: -12.197 flat angles C4'-P-C4' energy: -12.657 flat angles P-C4'-P energy: -9.895 tors. eta vs tors. theta energy: -9.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -110.859299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.859299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.859299 (E_RNA) where: Base-Base interactions energy: -59.976 where: short stacking energy: -41.991 Base-Backbone interact. energy: -0.126 local terms energy: -50.758112 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -12.808 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -6.401 tors. eta vs tors. theta energy: -10.592 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: 8 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -104.629225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.629225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.629225 (E_RNA) where: Base-Base interactions energy: -57.598 where: short stacking energy: -46.407 Base-Backbone interact. energy: -0.216 local terms energy: -46.815398 where: bonds (distance) C4'-P energy: -9.094 bonds (distance) P-C4' energy: -11.880 flat angles C4'-P-C4' energy: -11.558 flat angles P-C4'-P energy: -5.903 tors. eta vs tors. theta energy: -8.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -82.151872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.151872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.151872 (E_RNA) where: Base-Base interactions energy: -38.829 where: short stacking energy: -26.667 Base-Backbone interact. energy: -0.123 local terms energy: -43.199195 where: bonds (distance) C4'-P energy: -13.461 bonds (distance) P-C4' energy: -12.208 flat angles C4'-P-C4' energy: -9.933 flat angles P-C4'-P energy: -7.376 tors. eta vs tors. theta energy: -0.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -86.456777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.456777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.456777 (E_RNA) where: Base-Base interactions energy: -38.229 where: short stacking energy: -38.429 Base-Backbone interact. energy: -0.025 local terms energy: -48.202706 where: bonds (distance) C4'-P energy: -13.660 bonds (distance) P-C4' energy: -13.112 flat angles C4'-P-C4' energy: -10.023 flat angles P-C4'-P energy: -6.541 tors. eta vs tors. theta energy: -4.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -77.947443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.947443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.947443 (E_RNA) where: Base-Base interactions energy: -35.875 where: short stacking energy: -36.760 Base-Backbone interact. energy: -0.146 local terms energy: -41.926677 where: bonds (distance) C4'-P energy: -6.941 bonds (distance) P-C4' energy: -8.084 flat angles C4'-P-C4' energy: -10.295 flat angles P-C4'-P energy: -8.296 tors. eta vs tors. theta energy: -8.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -144.581097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.581097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.581097 (E_RNA) where: Base-Base interactions energy: -90.480 where: short stacking energy: -57.643 Base-Backbone interact. energy: -0.027 local terms energy: -54.074212 where: bonds (distance) C4'-P energy: -11.759 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -13.243 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -11.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -159.637020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.637020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.637020 (E_RNA) where: Base-Base interactions energy: -98.253 where: short stacking energy: -57.791 Base-Backbone interact. energy: -0.243 local terms energy: -61.141153 where: bonds (distance) C4'-P energy: -8.687 bonds (distance) P-C4' energy: -14.715 flat angles C4'-P-C4' energy: -13.172 flat angles P-C4'-P energy: -11.104 tors. eta vs tors. theta energy: -13.463 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: 2 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -133.434605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.434605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.434605 (E_RNA) where: Base-Base interactions energy: -80.923 where: short stacking energy: -48.678 Base-Backbone interact. energy: -0.001 local terms energy: -52.510577 where: bonds (distance) C4'-P energy: -9.437 bonds (distance) P-C4' energy: -14.529 flat angles C4'-P-C4' energy: -9.856 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -8.678 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: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -137.205688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.205688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.205688 (E_RNA) where: Base-Base interactions energy: -84.808 where: short stacking energy: -50.263 Base-Backbone interact. energy: -0.556 local terms energy: -51.842204 where: bonds (distance) C4'-P energy: -12.329 bonds (distance) P-C4' energy: -8.980 flat angles C4'-P-C4' energy: -12.754 flat angles P-C4'-P energy: -7.089 tors. eta vs tors. theta energy: -10.691 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: 5, replica: 5 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -97.881307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.881307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.881307 (E_RNA) where: Base-Base interactions energy: -42.781 where: short stacking energy: -42.781 Base-Backbone interact. energy: 1.248 local terms energy: -56.348163 where: bonds (distance) C4'-P energy: -15.402 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -8.040 flat angles P-C4'-P energy: -9.229 tors. eta vs tors. theta energy: -9.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -92.235526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.235526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.235526 (E_RNA) where: Base-Base interactions energy: -40.623 where: short stacking energy: -39.319 Base-Backbone interact. energy: -0.018 local terms energy: -51.594633 where: bonds (distance) C4'-P energy: -11.176 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -10.055 flat angles P-C4'-P energy: -8.604 tors. eta vs tors. theta energy: -6.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -93.102041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.102041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.102041 (E_RNA) where: Base-Base interactions energy: -44.978 where: short stacking energy: -38.161 Base-Backbone interact. energy: -0.049 local terms energy: -48.075427 where: bonds (distance) C4'-P energy: -10.455 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -10.680 flat angles P-C4'-P energy: -6.179 tors. eta vs tors. theta energy: -7.205 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: 9 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -79.338231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.338231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.338231 (E_RNA) where: Base-Base interactions energy: -40.848 where: short stacking energy: -32.028 Base-Backbone interact. energy: -0.166 local terms energy: -38.324366 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -8.493 flat angles C4'-P-C4' energy: -6.946 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -3.838 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: 9, replica: 6 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -87.399660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.399660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.399660 (E_RNA) where: Base-Base interactions energy: -35.703 where: short stacking energy: -35.703 Base-Backbone interact. energy: -0.037 local terms energy: -51.659425 where: bonds (distance) C4'-P energy: -13.402 bonds (distance) P-C4' energy: -15.115 flat angles C4'-P-C4' energy: -11.536 flat angles P-C4'-P energy: -9.546 tors. eta vs tors. theta energy: -2.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -72.480378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.480378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.480378 (E_RNA) where: Base-Base interactions energy: -31.972 where: short stacking energy: -31.147 Base-Backbone interact. energy: -0.842 local terms energy: -39.666164 where: bonds (distance) C4'-P energy: -8.820 bonds (distance) P-C4' energy: -10.266 flat angles C4'-P-C4' energy: -8.554 flat angles P-C4'-P energy: -6.118 tors. eta vs tors. theta energy: -5.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -155.688280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.688280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.688280 (E_RNA) where: Base-Base interactions energy: -93.549 where: short stacking energy: -64.033 Base-Backbone interact. energy: -0.005 local terms energy: -62.134261 where: bonds (distance) C4'-P energy: -11.226 bonds (distance) P-C4' energy: -13.196 flat angles C4'-P-C4' energy: -12.536 flat angles P-C4'-P energy: -10.339 tors. eta vs tors. theta energy: -14.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -146.145824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.145824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.145824 (E_RNA) where: Base-Base interactions energy: -86.312 where: short stacking energy: -59.735 Base-Backbone interact. energy: -0.041 local terms energy: -59.793066 where: bonds (distance) C4'-P energy: -13.357 bonds (distance) P-C4' energy: -14.109 flat angles C4'-P-C4' energy: -12.496 flat angles P-C4'-P energy: -8.030 tors. eta vs tors. theta energy: -11.802 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: 7 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -143.228185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.228185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.228185 (E_RNA) where: Base-Base interactions energy: -84.322 where: short stacking energy: -50.566 Base-Backbone interact. energy: -0.051 local terms energy: -58.855451 where: bonds (distance) C4'-P energy: -12.575 bonds (distance) P-C4' energy: -15.272 flat angles C4'-P-C4' energy: -10.900 flat angles P-C4'-P energy: -10.775 tors. eta vs tors. theta energy: -9.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -133.233859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.233859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.233859 (E_RNA) where: Base-Base interactions energy: -77.583 where: short stacking energy: -44.666 Base-Backbone interact. energy: -0.111 local terms energy: -55.539868 where: bonds (distance) C4'-P energy: -15.936 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -9.935 flat angles P-C4'-P energy: -8.280 tors. eta vs tors. theta energy: -8.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -95.188126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.188126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.188126 (E_RNA) where: Base-Base interactions energy: -45.020 where: short stacking energy: -41.249 Base-Backbone interact. energy: -0.018 local terms energy: -50.149949 where: bonds (distance) C4'-P energy: -10.576 bonds (distance) P-C4' energy: -10.692 flat angles C4'-P-C4' energy: -12.305 flat angles P-C4'-P energy: -8.442 tors. eta vs tors. theta energy: -8.136 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: 238 Temperature: 1.150000 Total energy: -106.970878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.970878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.970878 (E_RNA) where: Base-Base interactions energy: -46.217 where: short stacking energy: -46.217 Base-Backbone interact. energy: -0.096 local terms energy: -60.657249 where: bonds (distance) C4'-P energy: -13.688 bonds (distance) P-C4' energy: -13.363 flat angles C4'-P-C4' energy: -10.041 flat angles P-C4'-P energy: -9.836 tors. eta vs tors. theta energy: -13.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -87.191536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.191536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.191536 (E_RNA) where: Base-Base interactions energy: -39.699 where: short stacking energy: -37.880 Base-Backbone interact. energy: -0.059 local terms energy: -47.433832 where: bonds (distance) C4'-P energy: -14.640 bonds (distance) P-C4' energy: -10.643 flat angles C4'-P-C4' energy: -11.159 flat angles P-C4'-P energy: -7.845 tors. eta vs tors. theta energy: -3.146 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: 238 Temperature: 1.250000 Total energy: -96.678415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.678415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.678415 (E_RNA) where: Base-Base interactions energy: -52.220 where: short stacking energy: -48.096 Base-Backbone interact. energy: -0.004 local terms energy: -44.453929 where: bonds (distance) C4'-P energy: -11.673 bonds (distance) P-C4' energy: -12.345 flat angles C4'-P-C4' energy: -2.879 flat angles P-C4'-P energy: -7.323 tors. eta vs tors. theta energy: -10.234 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: 10 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -85.019511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.019511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.019511 (E_RNA) where: Base-Base interactions energy: -40.836 where: short stacking energy: -33.911 Base-Backbone interact. energy: -0.043 local terms energy: -44.141072 where: bonds (distance) C4'-P energy: -11.962 bonds (distance) P-C4' energy: -10.917 flat angles C4'-P-C4' energy: -9.803 flat angles P-C4'-P energy: -9.389 tors. eta vs tors. theta energy: -2.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -75.013266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.013266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.013266 (E_RNA) where: Base-Base interactions energy: -27.108 where: short stacking energy: -25.143 Base-Backbone interact. energy: -0.229 local terms energy: -47.676109 where: bonds (distance) C4'-P energy: -14.422 bonds (distance) P-C4' energy: -12.707 flat angles C4'-P-C4' energy: -10.421 flat angles P-C4'-P energy: -5.855 tors. eta vs tors. theta energy: -4.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -168.382316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.382316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.382316 (E_RNA) where: Base-Base interactions energy: -105.078 where: short stacking energy: -64.565 Base-Backbone interact. energy: 0.033 local terms energy: -63.337637 where: bonds (distance) C4'-P energy: -13.383 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -11.189 flat angles P-C4'-P energy: -8.405 tors. eta vs tors. theta energy: -15.544 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: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -140.830662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.830662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.830662 (E_RNA) where: Base-Base interactions energy: -83.654 where: short stacking energy: -51.625 Base-Backbone interact. energy: -0.028 local terms energy: -57.148612 where: bonds (distance) C4'-P energy: -12.161 bonds (distance) P-C4' energy: -11.348 flat angles C4'-P-C4' energy: -11.504 flat angles P-C4'-P energy: -8.819 tors. eta vs tors. theta energy: -13.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -143.722003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.722003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.722003 (E_RNA) where: Base-Base interactions energy: -88.294 where: short stacking energy: -49.698 Base-Backbone interact. energy: 0.074 local terms energy: -55.501820 where: bonds (distance) C4'-P energy: -11.412 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -12.653 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: -12.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -148.133018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.133018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.133018 (E_RNA) where: Base-Base interactions energy: -91.454 where: short stacking energy: -50.399 Base-Backbone interact. energy: -1.493 local terms energy: -55.185532 where: bonds (distance) C4'-P energy: -12.641 bonds (distance) P-C4' energy: -12.907 flat angles C4'-P-C4' energy: -11.157 flat angles P-C4'-P energy: -6.889 tors. eta vs tors. theta energy: -11.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -90.105658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.105658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.105658 (E_RNA) where: Base-Base interactions energy: -36.058 where: short stacking energy: -33.640 Base-Backbone interact. energy: -0.204 local terms energy: -53.843310 where: bonds (distance) C4'-P energy: -10.986 bonds (distance) P-C4' energy: -14.357 flat angles C4'-P-C4' energy: -14.035 flat angles P-C4'-P energy: -7.781 tors. eta vs tors. theta energy: -6.685 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: 9 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -106.338599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.338599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.338599 (E_RNA) where: Base-Base interactions energy: -46.869 where: short stacking energy: -46.415 Base-Backbone interact. energy: -0.009 local terms energy: -59.460190 where: bonds (distance) C4'-P energy: -11.591 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -14.361 flat angles P-C4'-P energy: -9.351 tors. eta vs tors. theta energy: -10.841 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: 5 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -87.148809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.148809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.148809 (E_RNA) where: Base-Base interactions energy: -36.863 where: short stacking energy: -36.863 Base-Backbone interact. energy: -0.048 local terms energy: -50.237910 where: bonds (distance) C4'-P energy: -11.866 bonds (distance) P-C4' energy: -12.787 flat angles C4'-P-C4' energy: -8.134 flat angles P-C4'-P energy: -11.825 tors. eta vs tors. theta energy: -5.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -96.718314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.718314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.718314 (E_RNA) where: Base-Base interactions energy: -51.479 where: short stacking energy: -29.743 Base-Backbone interact. energy: -0.099 local terms energy: -45.140308 where: bonds (distance) C4'-P energy: -12.069 bonds (distance) P-C4' energy: -11.289 flat angles C4'-P-C4' energy: -12.167 flat angles P-C4'-P energy: -4.719 tors. eta vs tors. theta energy: -4.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -78.723769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.723769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.723769 (E_RNA) where: Base-Base interactions energy: -34.193 where: short stacking energy: -33.144 Base-Backbone interact. energy: 0.522 local terms energy: -45.052226 where: bonds (distance) C4'-P energy: -11.690 bonds (distance) P-C4' energy: -9.958 flat angles C4'-P-C4' energy: -11.070 flat angles P-C4'-P energy: -9.539 tors. eta vs tors. theta energy: -2.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -78.220040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.220040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.220040 (E_RNA) where: Base-Base interactions energy: -33.493 where: short stacking energy: -33.493 Base-Backbone interact. energy: -0.170 local terms energy: -44.557682 where: bonds (distance) C4'-P energy: -14.467 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -7.943 flat angles P-C4'-P energy: -5.632 tors. eta vs tors. theta energy: -2.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -159.177666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.177666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.177666 (E_RNA) where: Base-Base interactions energy: -96.239 where: short stacking energy: -51.797 Base-Backbone interact. energy: -0.110 local terms energy: -62.828909 where: bonds (distance) C4'-P energy: -13.171 bonds (distance) P-C4' energy: -12.710 flat angles C4'-P-C4' energy: -15.111 flat angles P-C4'-P energy: -9.850 tors. eta vs tors. theta energy: -11.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -147.491741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.491741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.491741 (E_RNA) where: Base-Base interactions energy: -86.519 where: short stacking energy: -55.662 Base-Backbone interact. energy: 0.269 local terms energy: -61.241785 where: bonds (distance) C4'-P energy: -13.871 bonds (distance) P-C4' energy: -16.016 flat angles C4'-P-C4' energy: -13.735 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -10.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -154.154342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.154342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.154342 (E_RNA) where: Base-Base interactions energy: -92.209 where: short stacking energy: -60.291 Base-Backbone interact. energy: -0.038 local terms energy: -61.907323 where: bonds (distance) C4'-P energy: -14.326 bonds (distance) P-C4' energy: -13.648 flat angles C4'-P-C4' energy: -15.861 flat angles P-C4'-P energy: -6.650 tors. eta vs tors. theta energy: -11.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -148.115440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.115440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.115440 (E_RNA) where: Base-Base interactions energy: -93.843 where: short stacking energy: -54.219 Base-Backbone interact. energy: -0.002 local terms energy: -54.270628 where: bonds (distance) C4'-P energy: -11.298 bonds (distance) P-C4' energy: -12.465 flat angles C4'-P-C4' energy: -9.238 flat angles P-C4'-P energy: -6.675 tors. eta vs tors. theta energy: -14.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -86.074060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.074060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.074060 (E_RNA) where: Base-Base interactions energy: -34.167 where: short stacking energy: -34.167 Base-Backbone interact. energy: -0.061 local terms energy: -51.846160 where: bonds (distance) C4'-P energy: -10.215 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -12.351 flat angles P-C4'-P energy: -9.876 tors. eta vs tors. theta energy: -6.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -93.752215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.752215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.752215 (E_RNA) where: Base-Base interactions energy: -41.544 where: short stacking energy: -39.311 Base-Backbone interact. energy: -0.003 local terms energy: -52.205078 where: bonds (distance) C4'-P energy: -13.589 bonds (distance) P-C4' energy: -10.308 flat angles C4'-P-C4' energy: -10.116 flat angles P-C4'-P energy: -8.696 tors. eta vs tors. theta energy: -9.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -88.358728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.358728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.358728 (E_RNA) where: Base-Base interactions energy: -38.338 where: short stacking energy: -39.138 Base-Backbone interact. energy: -0.028 local terms energy: -49.993369 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -13.478 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -1.973 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: 5 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -84.391783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.391783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.391783 (E_RNA) where: Base-Base interactions energy: -28.532 where: short stacking energy: -28.532 Base-Backbone interact. energy: -0.104 local terms energy: -55.756416 where: bonds (distance) C4'-P energy: -12.227 bonds (distance) P-C4' energy: -11.317 flat angles C4'-P-C4' energy: -14.936 flat angles P-C4'-P energy: -7.368 tors. eta vs tors. theta energy: -9.908 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: 6 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -79.841087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.841087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.841087 (E_RNA) where: Base-Base interactions energy: -41.656 where: short stacking energy: -34.707 Base-Backbone interact. energy: 2.643 local terms energy: -40.827843 where: bonds (distance) C4'-P energy: -12.256 bonds (distance) P-C4' energy: -10.519 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -2.109 tors. eta vs tors. theta energy: -8.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -73.342750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.342750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.342750 (E_RNA) where: Base-Base interactions energy: -32.036 where: short stacking energy: -30.895 Base-Backbone interact. energy: -0.179 local terms energy: -41.127907 where: bonds (distance) C4'-P energy: -4.782 bonds (distance) P-C4' energy: -11.512 flat angles C4'-P-C4' energy: -10.377 flat angles P-C4'-P energy: -8.579 tors. eta vs tors. theta energy: -5.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -168.266977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.266977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.266977 (E_RNA) where: Base-Base interactions energy: -98.762 where: short stacking energy: -63.405 Base-Backbone interact. energy: -0.000 local terms energy: -69.504589 where: bonds (distance) C4'-P energy: -14.528 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -12.627 flat angles P-C4'-P energy: -11.179 tors. eta vs tors. theta energy: -17.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -163.433049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.433049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.433049 (E_RNA) where: Base-Base interactions energy: -99.443 where: short stacking energy: -49.872 Base-Backbone interact. energy: -0.002 local terms energy: -63.987814 where: bonds (distance) C4'-P energy: -12.242 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -11.319 flat angles P-C4'-P energy: -10.934 tors. eta vs tors. theta energy: -14.188 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: 3, replica: 7 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -151.922492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.922492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.922492 (E_RNA) where: Base-Base interactions energy: -91.790 where: short stacking energy: -58.149 Base-Backbone interact. energy: -0.001 local terms energy: -60.131383 where: bonds (distance) C4'-P energy: -13.146 bonds (distance) P-C4' energy: -13.120 flat angles C4'-P-C4' energy: -11.525 flat angles P-C4'-P energy: -8.380 tors. eta vs tors. theta energy: -13.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -106.296352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.296352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.296352 (E_RNA) where: Base-Base interactions energy: -49.788 where: short stacking energy: -40.698 Base-Backbone interact. energy: -1.412 local terms energy: -55.096064 where: bonds (distance) C4'-P energy: -11.026 bonds (distance) P-C4' energy: -12.863 flat angles C4'-P-C4' energy: -14.565 flat angles P-C4'-P energy: -8.440 tors. eta vs tors. theta energy: -8.203 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: 1 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -128.283481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.283481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.283481 (E_RNA) where: Base-Base interactions energy: -75.330 where: short stacking energy: -44.804 Base-Backbone interact. energy: -0.010 local terms energy: -52.943583 where: bonds (distance) C4'-P energy: -13.035 bonds (distance) P-C4' energy: -13.632 flat angles C4'-P-C4' energy: -8.750 flat angles P-C4'-P energy: -10.129 tors. eta vs tors. theta energy: -7.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -103.300772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.300772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.300772 (E_RNA) where: Base-Base interactions energy: -49.592 where: short stacking energy: -49.592 Base-Backbone interact. energy: -0.022 local terms energy: -53.686411 where: bonds (distance) C4'-P energy: -12.931 bonds (distance) P-C4' energy: -12.691 flat angles C4'-P-C4' energy: -9.670 flat angles P-C4'-P energy: -9.926 tors. eta vs tors. theta energy: -8.468 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: 4 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -84.793454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.793454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.793454 (E_RNA) where: Base-Base interactions energy: -30.479 where: short stacking energy: -30.479 Base-Backbone interact. energy: 1.017 local terms energy: -55.331201 where: bonds (distance) C4'-P energy: -14.797 bonds (distance) P-C4' energy: -15.809 flat angles C4'-P-C4' energy: -10.003 flat angles P-C4'-P energy: -5.730 tors. eta vs tors. theta energy: -8.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -77.539120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.539120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.539120 (E_RNA) where: Base-Base interactions energy: -31.732 where: short stacking energy: -31.493 Base-Backbone interact. energy: -0.078 local terms energy: -45.729178 where: bonds (distance) C4'-P energy: -11.500 bonds (distance) P-C4' energy: -13.127 flat angles C4'-P-C4' energy: -9.871 flat angles P-C4'-P energy: -7.414 tors. eta vs tors. theta energy: -3.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -92.685813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.685813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.685813 (E_RNA) where: Base-Base interactions energy: -49.356 where: short stacking energy: -34.285 Base-Backbone interact. energy: -0.053 local terms energy: -43.276306 where: bonds (distance) C4'-P energy: -8.671 bonds (distance) P-C4' energy: -11.352 flat angles C4'-P-C4' energy: -10.274 flat angles P-C4'-P energy: -9.040 tors. eta vs tors. theta energy: -3.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -80.384929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.384929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.384929 (E_RNA) where: Base-Base interactions energy: -36.871 where: short stacking energy: -36.355 Base-Backbone interact. energy: -0.061 local terms energy: -43.452673 where: bonds (distance) C4'-P energy: -8.645 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -7.362 tors. eta vs tors. theta energy: -5.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -161.818406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.818406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.818406 (E_RNA) where: Base-Base interactions energy: -101.955 where: short stacking energy: -64.546 Base-Backbone interact. energy: -0.003 local terms energy: -59.860504 where: bonds (distance) C4'-P energy: -12.549 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -13.871 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -13.751 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: 2 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -146.605625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.605625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.605625 (E_RNA) where: Base-Base interactions energy: -83.539 where: short stacking energy: -54.476 Base-Backbone interact. energy: -0.007 local terms energy: -63.059775 where: bonds (distance) C4'-P energy: -13.137 bonds (distance) P-C4' energy: -15.503 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -10.699 tors. eta vs tors. theta energy: -9.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -151.279526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.279526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.279526 (E_RNA) where: Base-Base interactions energy: -92.315 where: short stacking energy: -61.036 Base-Backbone interact. energy: -0.007 local terms energy: -58.957114 where: bonds (distance) C4'-P energy: -11.519 bonds (distance) P-C4' energy: -15.355 flat angles C4'-P-C4' energy: -9.763 flat angles P-C4'-P energy: -8.183 tors. eta vs tors. theta energy: -14.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -117.068262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.068262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.068262 (E_RNA) where: Base-Base interactions energy: -64.485 where: short stacking energy: -41.193 Base-Backbone interact. energy: -1.088 local terms energy: -51.494822 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -12.828 flat angles C4'-P-C4' energy: -9.376 flat angles P-C4'-P energy: -8.477 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: 5, replica: 1 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -136.031008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.031008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.031008 (E_RNA) where: Base-Base interactions energy: -85.295 where: short stacking energy: -50.161 Base-Backbone interact. energy: -0.005 local terms energy: -50.731309 where: bonds (distance) C4'-P energy: -11.821 bonds (distance) P-C4' energy: -8.567 flat angles C4'-P-C4' energy: -15.673 flat angles P-C4'-P energy: -8.324 tors. eta vs tors. theta energy: -6.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -85.487943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.487943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.487943 (E_RNA) where: Base-Base interactions energy: -39.318 where: short stacking energy: -39.318 Base-Backbone interact. energy: -0.007 local terms energy: -46.163314 where: bonds (distance) C4'-P energy: -13.084 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -10.015 flat angles P-C4'-P energy: -6.544 tors. eta vs tors. theta energy: -5.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -96.124379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.124379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.124379 (E_RNA) where: Base-Base interactions energy: -46.734 where: short stacking energy: -44.513 Base-Backbone interact. energy: 0.109 local terms energy: -49.499563 where: bonds (distance) C4'-P energy: -5.403 bonds (distance) P-C4' energy: -9.507 flat angles C4'-P-C4' energy: -12.924 flat angles P-C4'-P energy: -11.137 tors. eta vs tors. theta energy: -10.529 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: 4 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -86.904967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.904967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.904967 (E_RNA) where: Base-Base interactions energy: -35.853 where: short stacking energy: -30.051 Base-Backbone interact. energy: -0.087 local terms energy: -50.965258 where: bonds (distance) C4'-P energy: -10.639 bonds (distance) P-C4' energy: -13.984 flat angles C4'-P-C4' energy: -12.390 flat angles P-C4'-P energy: -10.518 tors. eta vs tors. theta energy: -3.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -81.936979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.936979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.936979 (E_RNA) where: Base-Base interactions energy: -39.000 where: short stacking energy: -37.260 Base-Backbone interact. energy: -0.115 local terms energy: -42.821561 where: bonds (distance) C4'-P energy: -9.559 bonds (distance) P-C4' energy: -15.115 flat angles C4'-P-C4' energy: -7.752 flat angles P-C4'-P energy: -5.607 tors. eta vs tors. theta energy: -4.789 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: 8 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -81.702848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.702848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.702848 (E_RNA) where: Base-Base interactions energy: -35.589 where: short stacking energy: -35.589 Base-Backbone interact. energy: -0.403 local terms energy: -45.710881 where: bonds (distance) C4'-P energy: -5.138 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -12.247 flat angles P-C4'-P energy: -7.851 tors. eta vs tors. theta energy: -7.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -163.905827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.905827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.905827 (E_RNA) where: Base-Base interactions energy: -98.645 where: short stacking energy: -64.017 Base-Backbone interact. energy: 1.570 local terms energy: -66.830980 where: bonds (distance) C4'-P energy: -13.942 bonds (distance) P-C4' energy: -14.743 flat angles C4'-P-C4' energy: -11.617 flat angles P-C4'-P energy: -9.799 tors. eta vs tors. theta energy: -16.730 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: 2, replica: 2 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -148.745501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.745501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.745501 (E_RNA) where: Base-Base interactions energy: -93.118 where: short stacking energy: -57.189 Base-Backbone interact. energy: -0.466 local terms energy: -55.161697 where: bonds (distance) C4'-P energy: -9.908 bonds (distance) P-C4' energy: -12.443 flat angles C4'-P-C4' energy: -13.279 flat angles P-C4'-P energy: -7.913 tors. eta vs tors. theta energy: -11.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -149.822016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.822016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.822016 (E_RNA) where: Base-Base interactions energy: -89.865 where: short stacking energy: -51.963 Base-Backbone interact. energy: -1.020 local terms energy: -58.937486 where: bonds (distance) C4'-P energy: -12.686 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -12.676 flat angles P-C4'-P energy: -5.319 tors. eta vs tors. theta energy: -13.199 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: 243 Temperature: 1.050000 Total energy: -153.210980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.210980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.210980 (E_RNA) where: Base-Base interactions energy: -95.410 where: short stacking energy: -57.007 Base-Backbone interact. energy: 0.101 local terms energy: -57.901692 where: bonds (distance) C4'-P energy: -9.759 bonds (distance) P-C4' energy: -13.071 flat angles C4'-P-C4' energy: -13.013 flat angles P-C4'-P energy: -10.711 tors. eta vs tors. theta energy: -11.347 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: 9 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -112.210825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.210825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.210825 (E_RNA) where: Base-Base interactions energy: -59.374 where: short stacking energy: -53.329 Base-Backbone interact. energy: -0.023 local terms energy: -52.813823 where: bonds (distance) C4'-P energy: -12.716 bonds (distance) P-C4' energy: -12.671 flat angles C4'-P-C4' energy: -11.575 flat angles P-C4'-P energy: -8.041 tors. eta vs tors. theta energy: -7.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -94.842758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.842758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.842758 (E_RNA) where: Base-Base interactions energy: -40.207 where: short stacking energy: -36.294 Base-Backbone interact. energy: -0.565 local terms energy: -54.070239 where: bonds (distance) C4'-P energy: -13.383 bonds (distance) P-C4' energy: -11.571 flat angles C4'-P-C4' energy: -13.074 flat angles P-C4'-P energy: -7.006 tors. eta vs tors. theta energy: -9.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -91.805343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.805343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.805343 (E_RNA) where: Base-Base interactions energy: -41.702 where: short stacking energy: -41.479 Base-Backbone interact. energy: -0.034 local terms energy: -50.068995 where: bonds (distance) C4'-P energy: -14.334 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -10.066 flat angles P-C4'-P energy: -6.863 tors. eta vs tors. theta energy: -3.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -90.097103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.097103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.097103 (E_RNA) where: Base-Base interactions energy: -45.561 where: short stacking energy: -35.712 Base-Backbone interact. energy: -0.691 local terms energy: -43.845095 where: bonds (distance) C4'-P energy: -7.831 bonds (distance) P-C4' energy: -13.801 flat angles C4'-P-C4' energy: -10.142 flat angles P-C4'-P energy: -7.230 tors. eta vs tors. theta energy: -4.841 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: 4 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -71.982422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.982422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.982422 (E_RNA) where: Base-Base interactions energy: -22.410 where: short stacking energy: -19.141 Base-Backbone interact. energy: -0.862 local terms energy: -48.710130 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -10.456 flat angles C4'-P-C4' energy: -10.289 flat angles P-C4'-P energy: -9.366 tors. eta vs tors. theta energy: -4.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -70.181442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.181442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.181442 (E_RNA) where: Base-Base interactions energy: -27.243 where: short stacking energy: -26.819 Base-Backbone interact. energy: -0.018 local terms energy: -42.920394 where: bonds (distance) C4'-P energy: -12.860 bonds (distance) P-C4' energy: -7.921 flat angles C4'-P-C4' energy: -11.605 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -6.414 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: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -170.820769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.820769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.820769 (E_RNA) where: Base-Base interactions energy: -100.740 where: short stacking energy: -70.664 Base-Backbone interact. energy: -0.765 local terms energy: -69.316300 where: bonds (distance) C4'-P energy: -14.396 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -13.716 flat angles P-C4'-P energy: -7.342 tors. eta vs tors. theta energy: -18.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -148.648007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.648007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.648007 (E_RNA) where: Base-Base interactions energy: -87.398 where: short stacking energy: -50.329 Base-Backbone interact. energy: 1.002 local terms energy: -62.252812 where: bonds (distance) C4'-P energy: -14.318 bonds (distance) P-C4' energy: -13.317 flat angles C4'-P-C4' energy: -11.796 flat angles P-C4'-P energy: -12.393 tors. eta vs tors. theta energy: -10.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -139.980165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.980165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.980165 (E_RNA) where: Base-Base interactions energy: -88.542 where: short stacking energy: -42.606 Base-Backbone interact. energy: 0.798 local terms energy: -52.236687 where: bonds (distance) C4'-P energy: -12.203 bonds (distance) P-C4' energy: -10.554 flat angles C4'-P-C4' energy: -12.366 flat angles P-C4'-P energy: -8.463 tors. eta vs tors. theta energy: -8.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -150.177003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.177003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.177003 (E_RNA) where: Base-Base interactions energy: -94.657 where: short stacking energy: -53.112 Base-Backbone interact. energy: -0.039 local terms energy: -55.481081 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -10.038 flat angles C4'-P-C4' energy: -11.614 flat angles P-C4'-P energy: -8.116 tors. eta vs tors. theta energy: -12.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -135.875621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.875621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.875621 (E_RNA) where: Base-Base interactions energy: -83.506 where: short stacking energy: -48.474 Base-Backbone interact. energy: -0.216 local terms energy: -52.153659 where: bonds (distance) C4'-P energy: -11.998 bonds (distance) P-C4' energy: -13.459 flat angles C4'-P-C4' energy: -9.172 flat angles P-C4'-P energy: -9.293 tors. eta vs tors. theta energy: -8.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -107.093975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.093975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.093975 (E_RNA) where: Base-Base interactions energy: -45.923 where: short stacking energy: -45.923 Base-Backbone interact. energy: -0.114 local terms energy: -61.056769 where: bonds (distance) C4'-P energy: -12.454 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -13.241 flat angles P-C4'-P energy: -10.088 tors. eta vs tors. theta energy: -10.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -99.961992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.961992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.961992 (E_RNA) where: Base-Base interactions energy: -46.439 where: short stacking energy: -40.983 Base-Backbone interact. energy: -0.005 local terms energy: -53.518709 where: bonds (distance) C4'-P energy: -13.954 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -12.714 flat angles P-C4'-P energy: -9.641 tors. eta vs tors. theta energy: -4.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -79.704475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.704475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.704475 (E_RNA) where: Base-Base interactions energy: -29.233 where: short stacking energy: -28.335 Base-Backbone interact. energy: -0.026 local terms energy: -50.444900 where: bonds (distance) C4'-P energy: -11.553 bonds (distance) P-C4' energy: -12.946 flat angles C4'-P-C4' energy: -10.438 flat angles P-C4'-P energy: -12.136 tors. eta vs tors. theta energy: -3.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -95.610179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.610179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.610179 (E_RNA) where: Base-Base interactions energy: -44.641 where: short stacking energy: -26.919 Base-Backbone interact. energy: -0.108 local terms energy: -50.860652 where: bonds (distance) C4'-P energy: -10.965 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -12.709 flat angles P-C4'-P energy: -7.239 tors. eta vs tors. theta energy: -6.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -80.356825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.356825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.356825 (E_RNA) where: Base-Base interactions energy: -28.719 where: short stacking energy: -26.750 Base-Backbone interact. energy: -0.133 local terms energy: -51.504790 where: bonds (distance) C4'-P energy: -11.710 bonds (distance) P-C4' energy: -14.241 flat angles C4'-P-C4' energy: -11.115 flat angles P-C4'-P energy: -7.573 tors. eta vs tors. theta energy: -6.867 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: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -153.685248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.685248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.685248 (E_RNA) where: Base-Base interactions energy: -94.131 where: short stacking energy: -61.285 Base-Backbone interact. energy: 0.582 local terms energy: -60.136381 where: bonds (distance) C4'-P energy: -13.519 bonds (distance) P-C4' energy: -12.394 flat angles C4'-P-C4' energy: -13.412 flat angles P-C4'-P energy: -8.108 tors. eta vs tors. theta energy: -12.703 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: 2 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -157.139104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.139104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.139104 (E_RNA) where: Base-Base interactions energy: -93.927 where: short stacking energy: -60.015 Base-Backbone interact. energy: -0.009 local terms energy: -63.203047 where: bonds (distance) C4'-P energy: -13.377 bonds (distance) P-C4' energy: -10.680 flat angles C4'-P-C4' energy: -14.830 flat angles P-C4'-P energy: -7.496 tors. eta vs tors. theta energy: -16.821 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: 245 Temperature: 1.000000 Total energy: -143.148043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.148043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.148043 (E_RNA) where: Base-Base interactions energy: -83.832 where: short stacking energy: -52.144 Base-Backbone interact. energy: 1.293 local terms energy: -60.609666 where: bonds (distance) C4'-P energy: -14.268 bonds (distance) P-C4' energy: -11.218 flat angles C4'-P-C4' energy: -15.499 flat angles P-C4'-P energy: -8.989 tors. eta vs tors. theta energy: -10.636 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: 7 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -144.162470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.162470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.162470 (E_RNA) where: Base-Base interactions energy: -89.630 where: short stacking energy: -52.469 Base-Backbone interact. energy: 0.768 local terms energy: -55.300007 where: bonds (distance) C4'-P energy: -12.522 bonds (distance) P-C4' energy: -8.986 flat angles C4'-P-C4' energy: -10.153 flat angles P-C4'-P energy: -7.937 tors. eta vs tors. theta energy: -15.702 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: 6 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -141.962073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.962073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.962073 (E_RNA) where: Base-Base interactions energy: -84.551 where: short stacking energy: -51.592 Base-Backbone interact. energy: -0.116 local terms energy: -57.295160 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -10.439 flat angles C4'-P-C4' energy: -13.083 flat angles P-C4'-P energy: -9.485 tors. eta vs tors. theta energy: -10.845 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: 5 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -97.130708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.130708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.130708 (E_RNA) where: Base-Base interactions energy: -45.939 where: short stacking energy: -37.646 Base-Backbone interact. energy: -0.519 local terms energy: -50.671945 where: bonds (distance) C4'-P energy: -8.500 bonds (distance) P-C4' energy: -12.361 flat angles C4'-P-C4' energy: -13.902 flat angles P-C4'-P energy: -8.253 tors. eta vs tors. theta energy: -7.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -94.381553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.381553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.381553 (E_RNA) where: Base-Base interactions energy: -44.279 where: short stacking energy: -29.641 Base-Backbone interact. energy: -0.620 local terms energy: -49.482764 where: bonds (distance) C4'-P energy: -12.542 bonds (distance) P-C4' energy: -12.736 flat angles C4'-P-C4' energy: -10.899 flat angles P-C4'-P energy: -7.453 tors. eta vs tors. theta energy: -5.853 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: 10 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -90.998965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.998965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.998965 (E_RNA) where: Base-Base interactions energy: -39.778 where: short stacking energy: -36.787 Base-Backbone interact. energy: -0.001 local terms energy: -51.220172 where: bonds (distance) C4'-P energy: -13.386 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -6.423 flat angles P-C4'-P energy: -8.597 tors. eta vs tors. theta energy: -8.596 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: 8 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -92.075946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.075946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.075946 (E_RNA) where: Base-Base interactions energy: -47.147 where: short stacking energy: -30.020 Base-Backbone interact. energy: -0.098 local terms energy: -44.831618 where: bonds (distance) C4'-P energy: -8.182 bonds (distance) P-C4' energy: -9.877 flat angles C4'-P-C4' energy: -11.192 flat angles P-C4'-P energy: -11.380 tors. eta vs tors. theta energy: -4.201 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: 4 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -84.934218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.934218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.934218 (E_RNA) where: Base-Base interactions energy: -34.722 where: short stacking energy: -24.736 Base-Backbone interact. energy: 0.164 local terms energy: -50.376185 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -12.857 flat angles P-C4'-P energy: -6.244 tors. eta vs tors. theta energy: -3.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -152.874872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.874872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.874872 (E_RNA) where: Base-Base interactions energy: -89.187 where: short stacking energy: -58.683 Base-Backbone interact. energy: -0.230 local terms energy: -63.457931 where: bonds (distance) C4'-P energy: -15.063 bonds (distance) P-C4' energy: -8.973 flat angles C4'-P-C4' energy: -14.121 flat angles P-C4'-P energy: -13.544 tors. eta vs tors. theta energy: -11.757 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: 3 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -151.499585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.499585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.499585 (E_RNA) where: Base-Base interactions energy: -89.937 where: short stacking energy: -52.542 Base-Backbone interact. energy: 0.227 local terms energy: -61.789780 where: bonds (distance) C4'-P energy: -12.725 bonds (distance) P-C4' energy: -13.132 flat angles C4'-P-C4' energy: -12.559 flat angles P-C4'-P energy: -11.436 tors. eta vs tors. theta energy: -11.939 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: 3, replica: 7 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -147.557567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.557567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.557567 (E_RNA) where: Base-Base interactions energy: -95.075 where: short stacking energy: -52.065 Base-Backbone interact. energy: -0.223 local terms energy: -52.259956 where: bonds (distance) C4'-P energy: -8.836 bonds (distance) P-C4' energy: -11.238 flat angles C4'-P-C4' energy: -10.349 flat angles P-C4'-P energy: -8.939 tors. eta vs tors. theta energy: -12.897 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: 1 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -148.202326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.202326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.202326 (E_RNA) where: Base-Base interactions energy: -88.218 where: short stacking energy: -54.842 Base-Backbone interact. energy: -0.001 local terms energy: -59.983444 where: bonds (distance) C4'-P energy: -14.156 bonds (distance) P-C4' energy: -13.683 flat angles C4'-P-C4' energy: -10.766 flat angles P-C4'-P energy: -8.003 tors. eta vs tors. theta energy: -13.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -113.024274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.024274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.024274 (E_RNA) where: Base-Base interactions energy: -59.473 where: short stacking energy: -49.483 Base-Backbone interact. energy: -0.069 local terms energy: -53.482040 where: bonds (distance) C4'-P energy: -12.666 bonds (distance) P-C4' energy: -10.131 flat angles C4'-P-C4' energy: -15.242 flat angles P-C4'-P energy: -5.529 tors. eta vs tors. theta energy: -9.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -122.095993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.095993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.095993 (E_RNA) where: Base-Base interactions energy: -79.669 where: short stacking energy: -48.578 Base-Backbone interact. energy: 0.258 local terms energy: -42.685533 where: bonds (distance) C4'-P energy: -8.857 bonds (distance) P-C4' energy: -13.995 flat angles C4'-P-C4' energy: -9.550 flat angles P-C4'-P energy: -0.287 tors. eta vs tors. theta energy: -9.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -84.972062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.972062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.972062 (E_RNA) where: Base-Base interactions energy: -37.206 where: short stacking energy: -33.982 Base-Backbone interact. energy: -0.247 local terms energy: -47.519779 where: bonds (distance) C4'-P energy: -8.451 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -12.977 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -4.859 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: 9 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -89.907061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.907061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.907061 (E_RNA) where: Base-Base interactions energy: -36.236 where: short stacking energy: -36.236 Base-Backbone interact. energy: -0.201 local terms energy: -53.470499 where: bonds (distance) C4'-P energy: -12.087 bonds (distance) P-C4' energy: -12.081 flat angles C4'-P-C4' energy: -14.539 flat angles P-C4'-P energy: -7.296 tors. eta vs tors. theta energy: -7.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -76.456441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.456441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.456441 (E_RNA) where: Base-Base interactions energy: -35.911 where: short stacking energy: -34.439 Base-Backbone interact. energy: -0.089 local terms energy: -40.456376 where: bonds (distance) C4'-P energy: -11.502 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -11.053 flat angles P-C4'-P energy: -4.750 tors. eta vs tors. theta energy: -4.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -66.966086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.966086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.966086 (E_RNA) where: Base-Base interactions energy: -35.721 where: short stacking energy: -31.023 Base-Backbone interact. energy: -0.115 local terms energy: -31.130231 where: bonds (distance) C4'-P energy: -5.971 bonds (distance) P-C4' energy: -10.909 flat angles C4'-P-C4' energy: -10.564 flat angles P-C4'-P energy: -1.740 tors. eta vs tors. theta energy: -1.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -155.317661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.317661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.317661 (E_RNA) where: Base-Base interactions energy: -88.847 where: short stacking energy: -59.960 Base-Backbone interact. energy: -0.637 local terms energy: -65.833662 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -13.955 flat angles P-C4'-P energy: -10.382 tors. eta vs tors. theta energy: -15.647 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: 3 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -143.568959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.568959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.568959 (E_RNA) where: Base-Base interactions energy: -82.938 where: short stacking energy: -54.269 Base-Backbone interact. energy: -0.822 local terms energy: -59.809402 where: bonds (distance) C4'-P energy: -11.258 bonds (distance) P-C4' energy: -15.273 flat angles C4'-P-C4' energy: -13.126 flat angles P-C4'-P energy: -9.469 tors. eta vs tors. theta energy: -10.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -148.086326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.086326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.086326 (E_RNA) where: Base-Base interactions energy: -85.206 where: short stacking energy: -57.869 Base-Backbone interact. energy: -0.599 local terms energy: -62.281641 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -13.059 flat angles P-C4'-P energy: -10.302 tors. eta vs tors. theta energy: -11.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -137.878871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.878871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.878871 (E_RNA) where: Base-Base interactions energy: -79.209 where: short stacking energy: -52.638 Base-Backbone interact. energy: -0.003 local terms energy: -58.667318 where: bonds (distance) C4'-P energy: -11.659 bonds (distance) P-C4' energy: -9.412 flat angles C4'-P-C4' energy: -11.404 flat angles P-C4'-P energy: -13.520 tors. eta vs tors. theta energy: -12.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -107.420264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.420264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.420264 (E_RNA) where: Base-Base interactions energy: -54.283 where: short stacking energy: -51.206 Base-Backbone interact. energy: -0.204 local terms energy: -52.932438 where: bonds (distance) C4'-P energy: -9.541 bonds (distance) P-C4' energy: -13.512 flat angles C4'-P-C4' energy: -9.686 flat angles P-C4'-P energy: -9.820 tors. eta vs tors. theta energy: -10.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -137.622366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.622366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.622366 (E_RNA) where: Base-Base interactions energy: -80.193 where: short stacking energy: -52.137 Base-Backbone interact. energy: -0.006 local terms energy: -57.423235 where: bonds (distance) C4'-P energy: -14.083 bonds (distance) P-C4' energy: -12.853 flat angles C4'-P-C4' energy: -11.864 flat angles P-C4'-P energy: -7.055 tors. eta vs tors. theta energy: -11.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -85.722202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.722202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.722202 (E_RNA) where: Base-Base interactions energy: -35.304 where: short stacking energy: -34.947 Base-Backbone interact. energy: -0.013 local terms energy: -50.405198 where: bonds (distance) C4'-P energy: -12.736 bonds (distance) P-C4' energy: -12.304 flat angles C4'-P-C4' energy: -13.601 flat angles P-C4'-P energy: -5.637 tors. eta vs tors. theta energy: -6.127 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: 4 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -85.527083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.527083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.527083 (E_RNA) where: Base-Base interactions energy: -42.008 where: short stacking energy: -42.008 Base-Backbone interact. energy: -0.008 local terms energy: -43.511003 where: bonds (distance) C4'-P energy: -9.838 bonds (distance) P-C4' energy: -8.681 flat angles C4'-P-C4' energy: -10.310 flat angles P-C4'-P energy: -6.079 tors. eta vs tors. theta energy: -8.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -77.433605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.433605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.433605 (E_RNA) where: Base-Base interactions energy: -36.219 where: short stacking energy: -35.753 Base-Backbone interact. energy: -0.035 local terms energy: -41.179763 where: bonds (distance) C4'-P energy: -11.688 bonds (distance) P-C4' energy: -7.843 flat angles C4'-P-C4' energy: -11.785 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -5.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -72.284599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.284599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.284599 (E_RNA) where: Base-Base interactions energy: -35.095 where: short stacking energy: -31.393 Base-Backbone interact. energy: -0.162 local terms energy: -37.027661 where: bonds (distance) C4'-P energy: -13.163 bonds (distance) P-C4' energy: -11.327 flat angles C4'-P-C4' energy: -9.510 flat angles P-C4'-P energy: -2.067 tors. eta vs tors. theta energy: -0.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -147.718107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.718107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.718107 (E_RNA) where: Base-Base interactions energy: -91.302 where: short stacking energy: -54.989 Base-Backbone interact. energy: -0.006 local terms energy: -56.410566 where: bonds (distance) C4'-P energy: -11.642 bonds (distance) P-C4' energy: -10.075 flat angles C4'-P-C4' energy: -11.731 flat angles P-C4'-P energy: -9.806 tors. eta vs tors. theta energy: -13.156 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: 2 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -142.875099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.875099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.875099 (E_RNA) where: Base-Base interactions energy: -85.637 where: short stacking energy: -56.223 Base-Backbone interact. energy: -0.059 local terms energy: -57.179197 where: bonds (distance) C4'-P energy: -14.273 bonds (distance) P-C4' energy: -12.480 flat angles C4'-P-C4' energy: -10.423 flat angles P-C4'-P energy: -6.899 tors. eta vs tors. theta energy: -13.104 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: 7 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -138.934374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.934374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.934374 (E_RNA) where: Base-Base interactions energy: -90.267 where: short stacking energy: -51.192 Base-Backbone interact. energy: -0.082 local terms energy: -48.584840 where: bonds (distance) C4'-P energy: -10.281 bonds (distance) P-C4' energy: -13.082 flat angles C4'-P-C4' energy: -8.490 flat angles P-C4'-P energy: -6.536 tors. eta vs tors. theta energy: -10.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -133.049647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.049647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.049647 (E_RNA) where: Base-Base interactions energy: -75.206 where: short stacking energy: -49.171 Base-Backbone interact. energy: -0.252 local terms energy: -57.592498 where: bonds (distance) C4'-P energy: -11.118 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -13.228 flat angles P-C4'-P energy: -9.995 tors. eta vs tors. theta energy: -9.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -126.896491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.896491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.896491 (E_RNA) where: Base-Base interactions energy: -69.243 where: short stacking energy: -35.550 Base-Backbone interact. energy: -0.020 local terms energy: -57.632953 where: bonds (distance) C4'-P energy: -15.225 bonds (distance) P-C4' energy: -14.592 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -7.487 tors. eta vs tors. theta energy: -7.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -97.921815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.921815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.921815 (E_RNA) where: Base-Base interactions energy: -44.200 where: short stacking energy: -35.446 Base-Backbone interact. energy: -0.015 local terms energy: -53.706407 where: bonds (distance) C4'-P energy: -14.201 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -12.411 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -7.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -89.842314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.842314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.842314 (E_RNA) where: Base-Base interactions energy: -37.249 where: short stacking energy: -37.249 Base-Backbone interact. energy: -0.082 local terms energy: -52.511197 where: bonds (distance) C4'-P energy: -14.048 bonds (distance) P-C4' energy: -13.225 flat angles C4'-P-C4' energy: -7.907 flat angles P-C4'-P energy: -7.963 tors. eta vs tors. theta energy: -9.368 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: 10 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -96.126323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.126323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.126323 (E_RNA) where: Base-Base interactions energy: -41.137 where: short stacking energy: -40.681 Base-Backbone interact. energy: -0.160 local terms energy: -54.829266 where: bonds (distance) C4'-P energy: -12.148 bonds (distance) P-C4' energy: -11.798 flat angles C4'-P-C4' energy: -13.672 flat angles P-C4'-P energy: -10.505 tors. eta vs tors. theta energy: -6.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -80.417240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.417240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.417240 (E_RNA) where: Base-Base interactions energy: -30.809 where: short stacking energy: -30.354 Base-Backbone interact. energy: -0.107 local terms energy: -49.501810 where: bonds (distance) C4'-P energy: -13.154 bonds (distance) P-C4' energy: -12.888 flat angles C4'-P-C4' energy: -12.108 flat angles P-C4'-P energy: -8.806 tors. eta vs tors. theta energy: -2.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -70.631797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.631797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.631797 (E_RNA) where: Base-Base interactions energy: -24.974 where: short stacking energy: -21.673 Base-Backbone interact. energy: 0.498 local terms energy: -46.155643 where: bonds (distance) C4'-P energy: -8.990 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -8.779 flat angles P-C4'-P energy: -8.669 tors. eta vs tors. theta energy: -5.988 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: 1, replica: 3 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -154.446670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.446670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.446670 (E_RNA) where: Base-Base interactions energy: -89.161 where: short stacking energy: -58.081 Base-Backbone interact. energy: -0.008 local terms energy: -65.278004 where: bonds (distance) C4'-P energy: -14.256 bonds (distance) P-C4' energy: -12.694 flat angles C4'-P-C4' energy: -14.545 flat angles P-C4'-P energy: -11.554 tors. eta vs tors. theta energy: -12.230 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: 7 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -160.766441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.766441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.766441 (E_RNA) where: Base-Base interactions energy: -99.155 where: short stacking energy: -65.458 Base-Backbone interact. energy: -0.105 local terms energy: -61.507026 where: bonds (distance) C4'-P energy: -13.611 bonds (distance) P-C4' energy: -10.414 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -10.503 tors. eta vs tors. theta energy: -14.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -150.310870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.310870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.310870 (E_RNA) where: Base-Base interactions energy: -85.736 where: short stacking energy: -56.927 Base-Backbone interact. energy: -0.034 local terms energy: -64.540536 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -14.503 flat angles P-C4'-P energy: -11.556 tors. eta vs tors. theta energy: -11.309 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: 4, replica: 6 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -140.330235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.330235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.330235 (E_RNA) where: Base-Base interactions energy: -84.309 where: short stacking energy: -54.414 Base-Backbone interact. energy: -0.005 local terms energy: -56.016407 where: bonds (distance) C4'-P energy: -12.045 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -14.067 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -9.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -136.491087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.491087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.491087 (E_RNA) where: Base-Base interactions energy: -83.530 where: short stacking energy: -57.282 Base-Backbone interact. energy: -0.013 local terms energy: -52.948427 where: bonds (distance) C4'-P energy: -8.359 bonds (distance) P-C4' energy: -14.188 flat angles C4'-P-C4' energy: -12.314 flat angles P-C4'-P energy: -4.773 tors. eta vs tors. theta energy: -13.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -104.925671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.925671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.925671 (E_RNA) where: Base-Base interactions energy: -49.881 where: short stacking energy: -49.881 Base-Backbone interact. energy: -0.097 local terms energy: -54.947468 where: bonds (distance) C4'-P energy: -11.498 bonds (distance) P-C4' energy: -8.907 flat angles C4'-P-C4' energy: -11.092 flat angles P-C4'-P energy: -10.520 tors. eta vs tors. theta energy: -12.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -88.732961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.732961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.732961 (E_RNA) where: Base-Base interactions energy: -40.587 where: short stacking energy: -40.587 Base-Backbone interact. energy: -0.245 local terms energy: -47.900917 where: bonds (distance) C4'-P energy: -12.124 bonds (distance) P-C4' energy: -10.233 flat angles C4'-P-C4' energy: -8.745 flat angles P-C4'-P energy: -8.524 tors. eta vs tors. theta energy: -8.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -88.162416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.162416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.162416 (E_RNA) where: Base-Base interactions energy: -37.860 where: short stacking energy: -37.860 Base-Backbone interact. energy: -0.033 local terms energy: -50.269917 where: bonds (distance) C4'-P energy: -13.998 bonds (distance) P-C4' energy: -10.789 flat angles C4'-P-C4' energy: -12.447 flat angles P-C4'-P energy: -10.502 tors. eta vs tors. theta energy: -2.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -75.356335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.356335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.356335 (E_RNA) where: Base-Base interactions energy: -28.507 where: short stacking energy: -28.507 Base-Backbone interact. energy: 0.023 local terms energy: -46.872806 where: bonds (distance) C4'-P energy: -14.334 bonds (distance) P-C4' energy: -10.711 flat angles C4'-P-C4' energy: -10.691 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -6.496 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: 9 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -85.167005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.167005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.167005 (E_RNA) where: Base-Base interactions energy: -34.360 where: short stacking energy: -34.360 Base-Backbone interact. energy: -0.227 local terms energy: -50.579711 where: bonds (distance) C4'-P energy: -13.614 bonds (distance) P-C4' energy: -10.928 flat angles C4'-P-C4' energy: -11.834 flat angles P-C4'-P energy: -8.227 tors. eta vs tors. theta energy: -5.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -162.666371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.666371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.666371 (E_RNA) where: Base-Base interactions energy: -97.640 where: short stacking energy: -66.557 Base-Backbone interact. energy: -0.009 local terms energy: -65.017085 where: bonds (distance) C4'-P energy: -11.015 bonds (distance) P-C4' energy: -14.409 flat angles C4'-P-C4' energy: -13.541 flat angles P-C4'-P energy: -10.224 tors. eta vs tors. theta energy: -15.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -158.063436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.063436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.063436 (E_RNA) where: Base-Base interactions energy: -94.978 where: short stacking energy: -62.959 Base-Backbone interact. energy: -0.001 local terms energy: -63.084664 where: bonds (distance) C4'-P energy: -13.609 bonds (distance) P-C4' energy: -14.171 flat angles C4'-P-C4' energy: -13.954 flat angles P-C4'-P energy: -7.225 tors. eta vs tors. theta energy: -14.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -141.749004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.749004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.749004 (E_RNA) where: Base-Base interactions energy: -80.147 where: short stacking energy: -51.000 Base-Backbone interact. energy: -0.001 local terms energy: -61.601445 where: bonds (distance) C4'-P energy: -13.419 bonds (distance) P-C4' energy: -13.931 flat angles C4'-P-C4' energy: -12.364 flat angles P-C4'-P energy: -8.993 tors. eta vs tors. theta energy: -12.895 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: 2 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -132.343985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.343985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.343985 (E_RNA) where: Base-Base interactions energy: -81.100 where: short stacking energy: -50.255 Base-Backbone interact. energy: -0.016 local terms energy: -51.227817 where: bonds (distance) C4'-P energy: -10.548 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -14.154 flat angles P-C4'-P energy: -6.165 tors. eta vs tors. theta energy: -7.258 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: 1 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -122.046684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.046684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.046684 (E_RNA) where: Base-Base interactions energy: -75.196 where: short stacking energy: -35.990 Base-Backbone interact. energy: -0.046 local terms energy: -46.804748 where: bonds (distance) C4'-P energy: -10.509 bonds (distance) P-C4' energy: -11.894 flat angles C4'-P-C4' energy: -12.114 flat angles P-C4'-P energy: -9.472 tors. eta vs tors. theta energy: -2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -101.221945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.221945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.221945 (E_RNA) where: Base-Base interactions energy: -46.498 where: short stacking energy: -46.498 Base-Backbone interact. energy: -0.493 local terms energy: -54.231140 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -10.688 flat angles P-C4'-P energy: -9.013 tors. eta vs tors. theta energy: -9.012 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: 4 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -103.596459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.596459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.596459 (E_RNA) where: Base-Base interactions energy: -50.230 where: short stacking energy: -38.371 Base-Backbone interact. energy: 0.225 local terms energy: -53.590725 where: bonds (distance) C4'-P energy: -12.509 bonds (distance) P-C4' energy: -14.090 flat angles C4'-P-C4' energy: -11.948 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -9.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -89.442974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.442974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.442974 (E_RNA) where: Base-Base interactions energy: -32.694 where: short stacking energy: -29.019 Base-Backbone interact. energy: -0.254 local terms energy: -56.495237 where: bonds (distance) C4'-P energy: -8.661 bonds (distance) P-C4' energy: -16.200 flat angles C4'-P-C4' energy: -14.765 flat angles P-C4'-P energy: -9.633 tors. eta vs tors. theta energy: -7.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -73.759341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.759341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.759341 (E_RNA) where: Base-Base interactions energy: -30.083 where: short stacking energy: -30.083 Base-Backbone interact. energy: -0.006 local terms energy: -43.670406 where: bonds (distance) C4'-P energy: -9.968 bonds (distance) P-C4' energy: -9.765 flat angles C4'-P-C4' energy: -13.841 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -6.358 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: 8 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -75.632657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.632657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.632657 (E_RNA) where: Base-Base interactions energy: -32.076 where: short stacking energy: -28.375 Base-Backbone interact. energy: -0.049 local terms energy: -43.507585 where: bonds (distance) C4'-P energy: -12.378 bonds (distance) P-C4' energy: -14.887 flat angles C4'-P-C4' energy: -8.867 flat angles P-C4'-P energy: -4.935 tors. eta vs tors. theta energy: -2.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -164.332361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.332361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.332361 (E_RNA) where: Base-Base interactions energy: -99.680 where: short stacking energy: -63.063 Base-Backbone interact. energy: -0.058 local terms energy: -64.593585 where: bonds (distance) C4'-P energy: -11.996 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -12.184 flat angles P-C4'-P energy: -7.874 tors. eta vs tors. theta energy: -19.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -149.617555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.617555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.617555 (E_RNA) where: Base-Base interactions energy: -89.621 where: short stacking energy: -60.474 Base-Backbone interact. energy: 0.188 local terms energy: -60.184700 where: bonds (distance) C4'-P energy: -11.945 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -7.641 tors. eta vs tors. theta energy: -12.895 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: 3 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -140.699053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.699053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.699053 (E_RNA) where: Base-Base interactions energy: -83.681 where: short stacking energy: -54.233 Base-Backbone interact. energy: 0.702 local terms energy: -57.719910 where: bonds (distance) C4'-P energy: -10.709 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -12.384 flat angles P-C4'-P energy: -9.519 tors. eta vs tors. theta energy: -10.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -140.082821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.082821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.082821 (E_RNA) where: Base-Base interactions energy: -84.399 where: short stacking energy: -53.603 Base-Backbone interact. energy: -0.341 local terms energy: -55.342821 where: bonds (distance) C4'-P energy: -11.184 bonds (distance) P-C4' energy: -13.672 flat angles C4'-P-C4' energy: -12.228 flat angles P-C4'-P energy: -7.151 tors. eta vs tors. theta energy: -11.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -110.906849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.906849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.906849 (E_RNA) where: Base-Base interactions energy: -51.457 where: short stacking energy: -41.972 Base-Backbone interact. energy: -0.014 local terms energy: -59.436306 where: bonds (distance) C4'-P energy: -15.037 bonds (distance) P-C4' energy: -12.781 flat angles C4'-P-C4' energy: -15.313 flat angles P-C4'-P energy: -7.153 tors. eta vs tors. theta energy: -9.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -82.747176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.747176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.747176 (E_RNA) where: Base-Base interactions energy: -39.443 where: short stacking energy: -39.443 Base-Backbone interact. energy: -0.011 local terms energy: -43.292990 where: bonds (distance) C4'-P energy: -10.960 bonds (distance) P-C4' energy: -6.511 flat angles C4'-P-C4' energy: -11.326 flat angles P-C4'-P energy: -7.146 tors. eta vs tors. theta energy: -7.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -84.300120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.300120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.300120 (E_RNA) where: Base-Base interactions energy: -33.783 where: short stacking energy: -33.783 Base-Backbone interact. energy: -0.014 local terms energy: -50.502998 where: bonds (distance) C4'-P energy: -11.075 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -11.658 flat angles P-C4'-P energy: -10.150 tors. eta vs tors. theta energy: -3.147 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: 9 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -86.125792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.125792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.125792 (E_RNA) where: Base-Base interactions energy: -37.482 where: short stacking energy: -37.482 Base-Backbone interact. energy: -0.042 local terms energy: -48.602012 where: bonds (distance) C4'-P energy: -7.892 bonds (distance) P-C4' energy: -12.280 flat angles C4'-P-C4' energy: -13.429 flat angles P-C4'-P energy: -8.349 tors. eta vs tors. theta energy: -6.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -85.894469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.894469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.894469 (E_RNA) where: Base-Base interactions energy: -34.444 where: short stacking energy: -34.444 Base-Backbone interact. energy: -0.194 local terms energy: -51.256732 where: bonds (distance) C4'-P energy: -14.313 bonds (distance) P-C4' energy: -13.246 flat angles C4'-P-C4' energy: -10.731 flat angles P-C4'-P energy: -7.604 tors. eta vs tors. theta energy: -5.363 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: 10, replica: 8 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -83.083701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.083701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.083701 (E_RNA) where: Base-Base interactions energy: -36.848 where: short stacking energy: -36.848 Base-Backbone interact. energy: -0.100 local terms energy: -46.135864 where: bonds (distance) C4'-P energy: -9.949 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -12.033 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -6.337 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: 7 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -149.749357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.749357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.749357 (E_RNA) where: Base-Base interactions energy: -88.984 where: short stacking energy: -52.398 Base-Backbone interact. energy: -0.135 local terms energy: -60.631199 where: bonds (distance) C4'-P energy: -14.334 bonds (distance) P-C4' energy: -11.483 flat angles C4'-P-C4' energy: -13.650 flat angles P-C4'-P energy: -8.181 tors. eta vs tors. theta energy: -12.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -142.657122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.657122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.657122 (E_RNA) where: Base-Base interactions energy: -80.759 where: short stacking energy: -56.911 Base-Backbone interact. energy: -0.000 local terms energy: -61.897676 where: bonds (distance) C4'-P energy: -10.960 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -12.079 flat angles P-C4'-P energy: -9.382 tors. eta vs tors. theta energy: -14.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -140.482140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.482140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.482140 (E_RNA) where: Base-Base interactions energy: -85.308 where: short stacking energy: -53.866 Base-Backbone interact. energy: -0.121 local terms energy: -55.052686 where: bonds (distance) C4'-P energy: -10.107 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -11.400 flat angles P-C4'-P energy: -10.815 tors. eta vs tors. theta energy: -9.174 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: 3 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -138.281810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.281810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.281810 (E_RNA) where: Base-Base interactions energy: -84.830 where: short stacking energy: -52.973 Base-Backbone interact. energy: 0.231 local terms energy: -53.682720 where: bonds (distance) C4'-P energy: -9.917 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -11.716 flat angles P-C4'-P energy: -7.249 tors. eta vs tors. theta energy: -10.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -98.419389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.419389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.419389 (E_RNA) where: Base-Base interactions energy: -49.875 where: short stacking energy: -45.473 Base-Backbone interact. energy: -0.000 local terms energy: -48.543750 where: bonds (distance) C4'-P energy: -12.020 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -11.531 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: -7.812 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: 1 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -87.115675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.115675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.115675 (E_RNA) where: Base-Base interactions energy: -41.031 where: short stacking energy: -33.105 Base-Backbone interact. energy: -0.501 local terms energy: -45.583037 where: bonds (distance) C4'-P energy: -12.003 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -6.750 flat angles P-C4'-P energy: -10.093 tors. eta vs tors. theta energy: -3.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -85.188658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.188658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.188658 (E_RNA) where: Base-Base interactions energy: -41.303 where: short stacking energy: -31.584 Base-Backbone interact. energy: -0.096 local terms energy: -43.788979 where: bonds (distance) C4'-P energy: -10.250 bonds (distance) P-C4' energy: -10.712 flat angles C4'-P-C4' energy: -11.151 flat angles P-C4'-P energy: -8.832 tors. eta vs tors. theta energy: -2.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -78.084165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.084165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.084165 (E_RNA) where: Base-Base interactions energy: -28.725 where: short stacking energy: -27.057 Base-Backbone interact. energy: -0.001 local terms energy: -49.357306 where: bonds (distance) C4'-P energy: -9.576 bonds (distance) P-C4' energy: -13.487 flat angles C4'-P-C4' energy: -12.075 flat angles P-C4'-P energy: -8.196 tors. eta vs tors. theta energy: -6.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -85.787487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.787487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.787487 (E_RNA) where: Base-Base interactions energy: -41.030 where: short stacking energy: -31.635 Base-Backbone interact. energy: -0.050 local terms energy: -44.708340 where: bonds (distance) C4'-P energy: -10.107 bonds (distance) P-C4' energy: -10.446 flat angles C4'-P-C4' energy: -9.795 flat angles P-C4'-P energy: -7.330 tors. eta vs tors. theta energy: -7.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -69.996064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.996064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.996064 (E_RNA) where: Base-Base interactions energy: -26.397 where: short stacking energy: -26.397 Base-Backbone interact. energy: -0.355 local terms energy: -43.244157 where: bonds (distance) C4'-P energy: -8.572 bonds (distance) P-C4' energy: -15.224 flat angles C4'-P-C4' energy: -13.557 flat angles P-C4'-P energy: -9.420 tors. eta vs tors. theta energy: 3.528 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: 7 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -154.821591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.821591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.821591 (E_RNA) where: Base-Base interactions energy: -91.835 where: short stacking energy: -63.571 Base-Backbone interact. energy: -0.004 local terms energy: -62.983344 where: bonds (distance) C4'-P energy: -11.804 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -10.891 flat angles P-C4'-P energy: -8.902 tors. eta vs tors. theta energy: -16.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -145.500608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.500608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.500608 (E_RNA) where: Base-Base interactions energy: -85.324 where: short stacking energy: -49.932 Base-Backbone interact. energy: -0.098 local terms energy: -60.078749 where: bonds (distance) C4'-P energy: -11.493 bonds (distance) P-C4' energy: -13.443 flat angles C4'-P-C4' energy: -12.901 flat angles P-C4'-P energy: -10.708 tors. eta vs tors. theta energy: -11.533 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: 6 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -142.674829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.674829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.674829 (E_RNA) where: Base-Base interactions energy: -87.785 where: short stacking energy: -55.273 Base-Backbone interact. energy: -0.046 local terms energy: -54.843408 where: bonds (distance) C4'-P energy: -9.200 bonds (distance) P-C4' energy: -12.465 flat angles C4'-P-C4' energy: -10.073 flat angles P-C4'-P energy: -10.070 tors. eta vs tors. theta energy: -13.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -144.654752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.654752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.654752 (E_RNA) where: Base-Base interactions energy: -83.768 where: short stacking energy: -45.588 Base-Backbone interact. energy: -0.060 local terms energy: -60.826258 where: bonds (distance) C4'-P energy: -14.504 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -14.164 flat angles P-C4'-P energy: -6.529 tors. eta vs tors. theta energy: -13.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -92.778797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.778797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.778797 (E_RNA) where: Base-Base interactions energy: -46.583 where: short stacking energy: -46.583 Base-Backbone interact. energy: -0.013 local terms energy: -46.182377 where: bonds (distance) C4'-P energy: -9.101 bonds (distance) P-C4' energy: -14.575 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -7.170 tors. eta vs tors. theta energy: -10.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -87.412606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.412606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.412606 (E_RNA) where: Base-Base interactions energy: -35.575 where: short stacking energy: -35.575 Base-Backbone interact. energy: -0.963 local terms energy: -50.874153 where: bonds (distance) C4'-P energy: -11.605 bonds (distance) P-C4' energy: -13.252 flat angles C4'-P-C4' energy: -12.328 flat angles P-C4'-P energy: -6.706 tors. eta vs tors. theta energy: -6.982 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: 1 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -89.638851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.638851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.638851 (E_RNA) where: Base-Base interactions energy: -45.687 where: short stacking energy: -45.687 Base-Backbone interact. energy: 1.349 local terms energy: -45.300386 where: bonds (distance) C4'-P energy: -7.771 bonds (distance) P-C4' energy: -10.268 flat angles C4'-P-C4' energy: -8.075 flat angles P-C4'-P energy: -7.179 tors. eta vs tors. theta energy: -12.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -80.865377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.865377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.865377 (E_RNA) where: Base-Base interactions energy: -31.970 where: short stacking energy: -31.970 Base-Backbone interact. energy: 1.011 local terms energy: -49.906221 where: bonds (distance) C4'-P energy: -12.330 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -12.099 flat angles P-C4'-P energy: -7.718 tors. eta vs tors. theta energy: -4.632 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: 253 Temperature: 1.300000 Total energy: -71.537611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.537611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.537611 (E_RNA) where: Base-Base interactions energy: -32.933 where: short stacking energy: -26.857 Base-Backbone interact. energy: -0.553 local terms energy: -38.051758 where: bonds (distance) C4'-P energy: -13.917 bonds (distance) P-C4' energy: -12.136 flat angles C4'-P-C4' energy: -3.041 flat angles P-C4'-P energy: -9.866 tors. eta vs tors. theta energy: 0.907 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: 10, replica: 10 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -73.994878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.994878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.994878 (E_RNA) where: Base-Base interactions energy: -36.623 where: short stacking energy: -32.233 Base-Backbone interact. energy: -0.474 local terms energy: -36.897879 where: bonds (distance) C4'-P energy: -8.038 bonds (distance) P-C4' energy: -6.545 flat angles C4'-P-C4' energy: -11.052 flat angles P-C4'-P energy: -8.366 tors. eta vs tors. theta energy: -2.897 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: 1, replica: 7 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -158.386659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.386659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.386659 (E_RNA) where: Base-Base interactions energy: -98.677 where: short stacking energy: -65.727 Base-Backbone interact. energy: -0.002 local terms energy: -59.707308 where: bonds (distance) C4'-P energy: -11.196 bonds (distance) P-C4' energy: -14.538 flat angles C4'-P-C4' energy: -11.141 flat angles P-C4'-P energy: -7.646 tors. eta vs tors. theta energy: -15.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -146.397299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.397299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.397299 (E_RNA) where: Base-Base interactions energy: -82.593 where: short stacking energy: -50.539 Base-Backbone interact. energy: -0.029 local terms energy: -63.775269 where: bonds (distance) C4'-P energy: -11.722 bonds (distance) P-C4' energy: -12.958 flat angles C4'-P-C4' energy: -15.434 flat angles P-C4'-P energy: -10.917 tors. eta vs tors. theta energy: -12.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -137.213895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.213895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.213895 (E_RNA) where: Base-Base interactions energy: -84.610 where: short stacking energy: -55.096 Base-Backbone interact. energy: -0.006 local terms energy: -52.596948 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -8.529 flat angles C4'-P-C4' energy: -12.647 flat angles P-C4'-P energy: -7.549 tors. eta vs tors. theta energy: -10.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -132.632783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.632783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.632783 (E_RNA) where: Base-Base interactions energy: -83.262 where: short stacking energy: -49.925 Base-Backbone interact. energy: 0.509 local terms energy: -49.879693 where: bonds (distance) C4'-P energy: -11.143 bonds (distance) P-C4' energy: -11.246 flat angles C4'-P-C4' energy: -14.007 flat angles P-C4'-P energy: -7.874 tors. eta vs tors. theta energy: -5.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -98.677137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.677137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.677137 (E_RNA) where: Base-Base interactions energy: -42.391 where: short stacking energy: -42.391 Base-Backbone interact. energy: -0.041 local terms energy: -56.244693 where: bonds (distance) C4'-P energy: -14.053 bonds (distance) P-C4' energy: -13.805 flat angles C4'-P-C4' energy: -11.483 flat angles P-C4'-P energy: -9.785 tors. eta vs tors. theta energy: -7.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -116.598577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.598577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.598577 (E_RNA) where: Base-Base interactions energy: -63.219 where: short stacking energy: -46.307 Base-Backbone interact. energy: -0.109 local terms energy: -53.270000 where: bonds (distance) C4'-P energy: -10.247 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -14.576 flat angles P-C4'-P energy: -7.589 tors. eta vs tors. theta energy: -8.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -95.675752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.675752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.675752 (E_RNA) where: Base-Base interactions energy: -45.967 where: short stacking energy: -45.843 Base-Backbone interact. energy: -0.164 local terms energy: -49.543912 where: bonds (distance) C4'-P energy: -13.768 bonds (distance) P-C4' energy: -10.207 flat angles C4'-P-C4' energy: -11.110 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -7.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -99.240604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.240604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.240604 (E_RNA) where: Base-Base interactions energy: -49.582 where: short stacking energy: -36.825 Base-Backbone interact. energy: -0.022 local terms energy: -49.636542 where: bonds (distance) C4'-P energy: -7.984 bonds (distance) P-C4' energy: -12.173 flat angles C4'-P-C4' energy: -14.407 flat angles P-C4'-P energy: -12.057 tors. eta vs tors. theta energy: -3.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -81.909030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.909030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.909030 (E_RNA) where: Base-Base interactions energy: -38.757 where: short stacking energy: -38.757 Base-Backbone interact. energy: -0.095 local terms energy: -43.056932 where: bonds (distance) C4'-P energy: -5.673 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -11.107 flat angles P-C4'-P energy: -7.969 tors. eta vs tors. theta energy: -6.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -72.037856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.037856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.037856 (E_RNA) where: Base-Base interactions energy: -28.393 where: short stacking energy: -28.059 Base-Backbone interact. energy: -0.148 local terms energy: -43.496436 where: bonds (distance) C4'-P energy: -10.374 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -11.262 flat angles P-C4'-P energy: -5.484 tors. eta vs tors. theta energy: -2.351 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: 1, replica: 7 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -158.485761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.485761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.485761 (E_RNA) where: Base-Base interactions energy: -98.545 where: short stacking energy: -61.401 Base-Backbone interact. energy: -0.029 local terms energy: -59.911638 where: bonds (distance) C4'-P energy: -14.851 bonds (distance) P-C4' energy: -14.327 flat angles C4'-P-C4' energy: -14.041 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -13.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -157.383155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.383155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.383155 (E_RNA) where: Base-Base interactions energy: -94.760 where: short stacking energy: -58.152 Base-Backbone interact. energy: 0.625 local terms energy: -63.248116 where: bonds (distance) C4'-P energy: -10.269 bonds (distance) P-C4' energy: -13.896 flat angles C4'-P-C4' energy: -14.858 flat angles P-C4'-P energy: -9.675 tors. eta vs tors. theta energy: -14.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -140.418527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.418527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.418527 (E_RNA) where: Base-Base interactions energy: -86.253 where: short stacking energy: -53.976 Base-Backbone interact. energy: -0.014 local terms energy: -54.151351 where: bonds (distance) C4'-P energy: -11.900 bonds (distance) P-C4' energy: -11.049 flat angles C4'-P-C4' energy: -15.213 flat angles P-C4'-P energy: -6.290 tors. eta vs tors. theta energy: -9.700 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: 6 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -136.694701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.694701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.694701 (E_RNA) where: Base-Base interactions energy: -85.470 where: short stacking energy: -51.717 Base-Backbone interact. energy: -0.004 local terms energy: -51.220056 where: bonds (distance) C4'-P energy: -4.939 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -10.017 flat angles P-C4'-P energy: -9.182 tors. eta vs tors. theta energy: -12.740 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: 4 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -95.634301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.634301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.634301 (E_RNA) where: Base-Base interactions energy: -46.973 where: short stacking energy: -46.973 Base-Backbone interact. energy: -0.098 local terms energy: -48.563949 where: bonds (distance) C4'-P energy: -12.469 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -12.637 flat angles P-C4'-P energy: -8.411 tors. eta vs tors. theta energy: -7.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -119.748921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.748921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.748921 (E_RNA) where: Base-Base interactions energy: -68.530 where: short stacking energy: -47.362 Base-Backbone interact. energy: -0.001 local terms energy: -51.217336 where: bonds (distance) C4'-P energy: -11.804 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -8.352 flat angles P-C4'-P energy: -7.181 tors. eta vs tors. theta energy: -11.475 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: 8 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -92.010581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.010581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.010581 (E_RNA) where: Base-Base interactions energy: -40.714 where: short stacking energy: -34.101 Base-Backbone interact. energy: -0.328 local terms energy: -50.968145 where: bonds (distance) C4'-P energy: -10.923 bonds (distance) P-C4' energy: -13.462 flat angles C4'-P-C4' energy: -11.528 flat angles P-C4'-P energy: -8.858 tors. eta vs tors. theta energy: -6.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -98.655771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.655771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.655771 (E_RNA) where: Base-Base interactions energy: -39.406 where: short stacking energy: -39.406 Base-Backbone interact. energy: -0.049 local terms energy: -59.201231 where: bonds (distance) C4'-P energy: -10.476 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -13.075 flat angles P-C4'-P energy: -7.465 tors. eta vs tors. theta energy: -13.480 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: 1 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -83.753255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.753255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.753255 (E_RNA) where: Base-Base interactions energy: -40.303 where: short stacking energy: -24.593 Base-Backbone interact. energy: -0.077 local terms energy: -43.373987 where: bonds (distance) C4'-P energy: -10.841 bonds (distance) P-C4' energy: -12.081 flat angles C4'-P-C4' energy: -13.055 flat angles P-C4'-P energy: -2.568 tors. eta vs tors. theta energy: -4.830 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: 255 Temperature: 1.350000 Total energy: -70.070575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.070575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.070575 (E_RNA) where: Base-Base interactions energy: -31.566 where: short stacking energy: -29.119 Base-Backbone interact. energy: -0.451 local terms energy: -38.052787 where: bonds (distance) C4'-P energy: -2.296 bonds (distance) P-C4' energy: -13.276 flat angles C4'-P-C4' energy: -10.372 flat angles P-C4'-P energy: -9.163 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -159.571246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.571246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.571246 (E_RNA) where: Base-Base interactions energy: -100.780 where: short stacking energy: -55.693 Base-Backbone interact. energy: -0.002 local terms energy: -58.789286 where: bonds (distance) C4'-P energy: -12.919 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -12.362 flat angles P-C4'-P energy: -7.269 tors. eta vs tors. theta energy: -10.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -152.920147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.920147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.920147 (E_RNA) where: Base-Base interactions energy: -84.828 where: short stacking energy: -55.626 Base-Backbone interact. energy: -0.002 local terms energy: -68.089932 where: bonds (distance) C4'-P energy: -14.946 bonds (distance) P-C4' energy: -12.151 flat angles C4'-P-C4' energy: -13.180 flat angles P-C4'-P energy: -11.209 tors. eta vs tors. theta energy: -16.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -144.574060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.574060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.574060 (E_RNA) where: Base-Base interactions energy: -82.561 where: short stacking energy: -56.631 Base-Backbone interact. energy: -0.005 local terms energy: -62.008302 where: bonds (distance) C4'-P energy: -14.724 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -13.676 flat angles P-C4'-P energy: -6.977 tors. eta vs tors. theta energy: -13.585 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: 4, replica: 6 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -137.385868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.385868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.385868 (E_RNA) where: Base-Base interactions energy: -76.784 where: short stacking energy: -51.627 Base-Backbone interact. energy: -0.087 local terms energy: -60.515009 where: bonds (distance) C4'-P energy: -12.124 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -11.587 flat angles P-C4'-P energy: -8.622 tors. eta vs tors. theta energy: -13.127 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: 256 Temperature: 1.100000 Total energy: -132.518089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.518089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.518089 (E_RNA) where: Base-Base interactions energy: -76.080 where: short stacking energy: -46.545 Base-Backbone interact. energy: 1.233 local terms energy: -57.671257 where: bonds (distance) C4'-P energy: -13.138 bonds (distance) P-C4' energy: -12.326 flat angles C4'-P-C4' energy: -8.744 flat angles P-C4'-P energy: -9.924 tors. eta vs tors. theta energy: -13.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -101.862412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.862412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.862412 (E_RNA) where: Base-Base interactions energy: -49.074 where: short stacking energy: -48.183 Base-Backbone interact. energy: -0.115 local terms energy: -52.673145 where: bonds (distance) C4'-P energy: -11.868 bonds (distance) P-C4' energy: -14.572 flat angles C4'-P-C4' energy: -11.376 flat angles P-C4'-P energy: -7.445 tors. eta vs tors. theta energy: -7.413 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: 10 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -99.901469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.901469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.901469 (E_RNA) where: Base-Base interactions energy: -46.249 where: short stacking energy: -31.736 Base-Backbone interact. energy: -0.062 local terms energy: -53.589589 where: bonds (distance) C4'-P energy: -10.206 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -13.108 flat angles P-C4'-P energy: -7.364 tors. eta vs tors. theta energy: -8.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -84.748866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.748866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.748866 (E_RNA) where: Base-Base interactions energy: -32.947 where: short stacking energy: -29.819 Base-Backbone interact. energy: -0.115 local terms energy: -51.687636 where: bonds (distance) C4'-P energy: -11.771 bonds (distance) P-C4' energy: -13.486 flat angles C4'-P-C4' energy: -11.940 flat angles P-C4'-P energy: -9.992 tors. eta vs tors. theta energy: -4.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -78.026283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.026283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.026283 (E_RNA) where: Base-Base interactions energy: -32.369 where: short stacking energy: -32.369 Base-Backbone interact. energy: -0.095 local terms energy: -45.561513 where: bonds (distance) C4'-P energy: -8.496 bonds (distance) P-C4' energy: -14.027 flat angles C4'-P-C4' energy: -10.627 flat angles P-C4'-P energy: -7.151 tors. eta vs tors. theta energy: -5.260 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: 1 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -73.824830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.824830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.824830 (E_RNA) where: Base-Base interactions energy: -29.599 where: short stacking energy: -31.276 Base-Backbone interact. energy: -1.221 local terms energy: -43.005629 where: bonds (distance) C4'-P energy: -10.339 bonds (distance) P-C4' energy: -8.786 flat angles C4'-P-C4' energy: -13.742 flat angles P-C4'-P energy: -1.414 tors. eta vs tors. theta energy: -8.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -157.863142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.863142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.863142 (E_RNA) where: Base-Base interactions energy: -92.655 where: short stacking energy: -59.387 Base-Backbone interact. energy: -0.006 local terms energy: -65.202536 where: bonds (distance) C4'-P energy: -15.026 bonds (distance) P-C4' energy: -14.051 flat angles C4'-P-C4' energy: -12.010 flat angles P-C4'-P energy: -9.307 tors. eta vs tors. theta energy: -14.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -147.336876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.336876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.336876 (E_RNA) where: Base-Base interactions energy: -86.752 where: short stacking energy: -56.236 Base-Backbone interact. energy: -0.004 local terms energy: -60.580816 where: bonds (distance) C4'-P energy: -13.719 bonds (distance) P-C4' energy: -11.198 flat angles C4'-P-C4' energy: -11.750 flat angles P-C4'-P energy: -10.935 tors. eta vs tors. theta energy: -12.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -140.361968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.361968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.361968 (E_RNA) where: Base-Base interactions energy: -81.556 where: short stacking energy: -52.605 Base-Backbone interact. energy: -0.004 local terms energy: -58.801983 where: bonds (distance) C4'-P energy: -14.931 bonds (distance) P-C4' energy: -9.228 flat angles C4'-P-C4' energy: -10.882 flat angles P-C4'-P energy: -9.998 tors. eta vs tors. theta energy: -13.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -143.387442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.387442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.387442 (E_RNA) where: Base-Base interactions energy: -88.040 where: short stacking energy: -53.729 Base-Backbone interact. energy: -0.158 local terms energy: -55.189782 where: bonds (distance) C4'-P energy: -8.533 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -11.226 flat angles P-C4'-P energy: -6.944 tors. eta vs tors. theta energy: -13.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -142.487970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.487970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.487970 (E_RNA) where: Base-Base interactions energy: -77.992 where: short stacking energy: -47.052 Base-Backbone interact. energy: -0.026 local terms energy: -64.470343 where: bonds (distance) C4'-P energy: -14.538 bonds (distance) P-C4' energy: -13.870 flat angles C4'-P-C4' energy: -14.455 flat angles P-C4'-P energy: -10.185 tors. eta vs tors. theta energy: -11.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -113.073656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.073656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.073656 (E_RNA) where: Base-Base interactions energy: -65.413 where: short stacking energy: -47.992 Base-Backbone interact. energy: -0.002 local terms energy: -47.658682 where: bonds (distance) C4'-P energy: -10.552 bonds (distance) P-C4' energy: -9.699 flat angles C4'-P-C4' energy: -13.018 flat angles P-C4'-P energy: -6.713 tors. eta vs tors. theta energy: -7.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -85.147188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.147188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.147188 (E_RNA) where: Base-Base interactions energy: -48.399 where: short stacking energy: -34.996 Base-Backbone interact. energy: -0.273 local terms energy: -36.474666 where: bonds (distance) C4'-P energy: -5.865 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -12.233 flat angles P-C4'-P energy: -7.715 tors. eta vs tors. theta energy: -1.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -88.430185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.430185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.430185 (E_RNA) where: Base-Base interactions energy: -43.445 where: short stacking energy: -26.362 Base-Backbone interact. energy: 0.113 local terms energy: -45.098253 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -10.581 flat angles P-C4'-P energy: -1.850 tors. eta vs tors. theta energy: -5.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -75.585051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.585051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.585051 (E_RNA) where: Base-Base interactions energy: -30.886 where: short stacking energy: -29.683 Base-Backbone interact. energy: -0.038 local terms energy: -44.661651 where: bonds (distance) C4'-P energy: -13.154 bonds (distance) P-C4' energy: -14.399 flat angles C4'-P-C4' energy: -13.698 flat angles P-C4'-P energy: -1.900 tors. eta vs tors. theta energy: -1.511 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: 1 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -73.366332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.366332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.366332 (E_RNA) where: Base-Base interactions energy: -28.922 where: short stacking energy: -25.578 Base-Backbone interact. energy: 0.051 local terms energy: -44.494678 where: bonds (distance) C4'-P energy: -13.180 bonds (distance) P-C4' energy: -9.690 flat angles C4'-P-C4' energy: -11.801 flat angles P-C4'-P energy: -10.167 tors. eta vs tors. theta energy: 0.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -173.054631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.054631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.054631 (E_RNA) where: Base-Base interactions energy: -110.174 where: short stacking energy: -64.393 Base-Backbone interact. energy: -0.347 local terms energy: -62.533632 where: bonds (distance) C4'-P energy: -11.130 bonds (distance) P-C4' energy: -12.481 flat angles C4'-P-C4' energy: -13.579 flat angles P-C4'-P energy: -9.472 tors. eta vs tors. theta energy: -15.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -146.475516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.475516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.475516 (E_RNA) where: Base-Base interactions energy: -90.025 where: short stacking energy: -56.942 Base-Backbone interact. energy: -0.009 local terms energy: -56.441957 where: bonds (distance) C4'-P energy: -11.333 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -14.574 flat angles P-C4'-P energy: -5.792 tors. eta vs tors. theta energy: -11.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -138.787594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.787594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.787594 (E_RNA) where: Base-Base interactions energy: -82.607 where: short stacking energy: -45.132 Base-Backbone interact. energy: -0.919 local terms energy: -55.261695 where: bonds (distance) C4'-P energy: -15.419 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -9.670 flat angles P-C4'-P energy: -8.860 tors. eta vs tors. theta energy: -6.703 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: 4, replica: 7 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -135.119757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.119757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.119757 (E_RNA) where: Base-Base interactions energy: -78.047 where: short stacking energy: -45.825 Base-Backbone interact. energy: -0.083 local terms energy: -56.990241 where: bonds (distance) C4'-P energy: -13.091 bonds (distance) P-C4' energy: -11.700 flat angles C4'-P-C4' energy: -16.116 flat angles P-C4'-P energy: -7.683 tors. eta vs tors. theta energy: -8.400 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: 5, replica: 5 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -138.826661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.826661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.826661 (E_RNA) where: Base-Base interactions energy: -82.505 where: short stacking energy: -47.696 Base-Backbone interact. energy: -0.000 local terms energy: -56.320917 where: bonds (distance) C4'-P energy: -11.199 bonds (distance) P-C4' energy: -11.330 flat angles C4'-P-C4' energy: -14.071 flat angles P-C4'-P energy: -7.590 tors. eta vs tors. theta energy: -12.131 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: 10 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -88.794368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.794368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.794368 (E_RNA) where: Base-Base interactions energy: -41.422 where: short stacking energy: -35.470 Base-Backbone interact. energy: -0.112 local terms energy: -47.260218 where: bonds (distance) C4'-P energy: -9.976 bonds (distance) P-C4' energy: -15.112 flat angles C4'-P-C4' energy: -10.725 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -5.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -86.335715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.335715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.335715 (E_RNA) where: Base-Base interactions energy: -36.940 where: short stacking energy: -36.940 Base-Backbone interact. energy: -0.095 local terms energy: -49.300871 where: bonds (distance) C4'-P energy: -11.113 bonds (distance) P-C4' energy: -11.943 flat angles C4'-P-C4' energy: -12.432 flat angles P-C4'-P energy: -7.783 tors. eta vs tors. theta energy: -6.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -78.918836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.918836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.918836 (E_RNA) where: Base-Base interactions energy: -32.745 where: short stacking energy: -31.652 Base-Backbone interact. energy: -0.546 local terms energy: -45.628567 where: bonds (distance) C4'-P energy: -11.378 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -8.809 flat angles P-C4'-P energy: -7.008 tors. eta vs tors. theta energy: -4.518 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: 1 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -70.701644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.701644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.701644 (E_RNA) where: Base-Base interactions energy: -30.871 where: short stacking energy: -28.834 Base-Backbone interact. energy: -0.152 local terms energy: -39.678075 where: bonds (distance) C4'-P energy: -10.331 bonds (distance) P-C4' energy: -6.577 flat angles C4'-P-C4' energy: -8.913 flat angles P-C4'-P energy: -10.560 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -78.204535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.204535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.204535 (E_RNA) where: Base-Base interactions energy: -26.510 where: short stacking energy: -26.610 Base-Backbone interact. energy: 0.226 local terms energy: -51.921096 where: bonds (distance) C4'-P energy: -11.779 bonds (distance) P-C4' energy: -15.731 flat angles C4'-P-C4' energy: -12.223 flat angles P-C4'-P energy: -10.199 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -179.919939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.919939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.919939 (E_RNA) where: Base-Base interactions energy: -115.401 where: short stacking energy: -66.522 Base-Backbone interact. energy: -0.498 local terms energy: -64.021610 where: bonds (distance) C4'-P energy: -13.730 bonds (distance) P-C4' energy: -14.336 flat angles C4'-P-C4' energy: -9.699 flat angles P-C4'-P energy: -10.973 tors. eta vs tors. theta energy: -15.283 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: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -142.021647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.021647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.021647 (E_RNA) where: Base-Base interactions energy: -83.442 where: short stacking energy: -56.503 Base-Backbone interact. energy: -0.022 local terms energy: -58.558285 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -12.675 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: -13.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -132.887434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.887434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.887434 (E_RNA) where: Base-Base interactions energy: -78.782 where: short stacking energy: -51.473 Base-Backbone interact. energy: 0.069 local terms energy: -54.173969 where: bonds (distance) C4'-P energy: -14.074 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -12.194 flat angles P-C4'-P energy: -8.004 tors. eta vs tors. theta energy: -5.720 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: 259 Temperature: 1.050000 Total energy: -130.207190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.207190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.207190 (E_RNA) where: Base-Base interactions energy: -74.907 where: short stacking energy: -40.672 Base-Backbone interact. energy: -1.231 local terms energy: -54.069616 where: bonds (distance) C4'-P energy: -10.211 bonds (distance) P-C4' energy: -14.334 flat angles C4'-P-C4' energy: -11.469 flat angles P-C4'-P energy: -9.321 tors. eta vs tors. theta energy: -8.735 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: 5, replica: 7 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -126.671106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.671106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.671106 (E_RNA) where: Base-Base interactions energy: -72.472 where: short stacking energy: -44.300 Base-Backbone interact. energy: -0.001 local terms energy: -54.197971 where: bonds (distance) C4'-P energy: -10.145 bonds (distance) P-C4' energy: -13.393 flat angles C4'-P-C4' energy: -11.316 flat angles P-C4'-P energy: -8.929 tors. eta vs tors. theta energy: -10.416 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: 4 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -94.294652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.294652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.294652 (E_RNA) where: Base-Base interactions energy: -47.785 where: short stacking energy: -33.096 Base-Backbone interact. energy: 1.215 local terms energy: -47.724598 where: bonds (distance) C4'-P energy: -11.175 bonds (distance) P-C4' energy: -10.600 flat angles C4'-P-C4' energy: -13.041 flat angles P-C4'-P energy: -8.571 tors. eta vs tors. theta energy: -4.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -91.208152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.208152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.208152 (E_RNA) where: Base-Base interactions energy: -36.132 where: short stacking energy: -30.233 Base-Backbone interact. energy: -0.052 local terms energy: -55.024219 where: bonds (distance) C4'-P energy: -15.527 bonds (distance) P-C4' energy: -12.394 flat angles C4'-P-C4' energy: -11.273 flat angles P-C4'-P energy: -9.791 tors. eta vs tors. theta energy: -6.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -77.394451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.394451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.394451 (E_RNA) where: Base-Base interactions energy: -30.915 where: short stacking energy: -30.915 Base-Backbone interact. energy: -0.542 local terms energy: -45.937851 where: bonds (distance) C4'-P energy: -11.502 bonds (distance) P-C4' energy: -9.303 flat angles C4'-P-C4' energy: -12.007 flat angles P-C4'-P energy: -7.446 tors. eta vs tors. theta energy: -5.679 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: 9 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -78.038877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.038877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.038877 (E_RNA) where: Base-Base interactions energy: -36.961 where: short stacking energy: -36.961 Base-Backbone interact. energy: -0.029 local terms energy: -41.049452 where: bonds (distance) C4'-P energy: -10.820 bonds (distance) P-C4' energy: -7.920 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -11.452 tors. eta vs tors. theta energy: -2.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -79.824530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.824530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.824530 (E_RNA) where: Base-Base interactions energy: -31.081 where: short stacking energy: -29.845 Base-Backbone interact. energy: -0.119 local terms energy: -48.624542 where: bonds (distance) C4'-P energy: -10.935 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -12.493 flat angles P-C4'-P energy: -5.276 tors. eta vs tors. theta energy: -4.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -157.616856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.616856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.616856 (E_RNA) where: Base-Base interactions energy: -93.114 where: short stacking energy: -64.130 Base-Backbone interact. energy: -0.138 local terms energy: -64.365247 where: bonds (distance) C4'-P energy: -12.418 bonds (distance) P-C4' energy: -12.747 flat angles C4'-P-C4' energy: -13.062 flat angles P-C4'-P energy: -9.728 tors. eta vs tors. theta energy: -16.410 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: 3 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -163.122025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.122025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.122025 (E_RNA) where: Base-Base interactions energy: -97.442 where: short stacking energy: -52.766 Base-Backbone interact. energy: -0.031 local terms energy: -65.649265 where: bonds (distance) C4'-P energy: -13.721 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -15.776 flat angles P-C4'-P energy: -9.532 tors. eta vs tors. theta energy: -12.680 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: 5 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -139.964920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.964920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.964920 (E_RNA) where: Base-Base interactions energy: -85.266 where: short stacking energy: -52.142 Base-Backbone interact. energy: -0.297 local terms energy: -54.402291 where: bonds (distance) C4'-P energy: -12.265 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -12.560 flat angles P-C4'-P energy: -3.676 tors. eta vs tors. theta energy: -11.136 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: 6 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -139.350723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.350723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.350723 (E_RNA) where: Base-Base interactions energy: -76.410 where: short stacking energy: -50.612 Base-Backbone interact. energy: -0.005 local terms energy: -62.935784 where: bonds (distance) C4'-P energy: -11.780 bonds (distance) P-C4' energy: -16.249 flat angles C4'-P-C4' energy: -11.826 flat angles P-C4'-P energy: -8.908 tors. eta vs tors. theta energy: -14.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -128.693990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.693990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.693990 (E_RNA) where: Base-Base interactions energy: -73.626 where: short stacking energy: -38.890 Base-Backbone interact. energy: -0.207 local terms energy: -54.861195 where: bonds (distance) C4'-P energy: -11.705 bonds (distance) P-C4' energy: -14.032 flat angles C4'-P-C4' energy: -12.502 flat angles P-C4'-P energy: -9.753 tors. eta vs tors. theta energy: -6.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -94.282285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.282285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.282285 (E_RNA) where: Base-Base interactions energy: -39.175 where: short stacking energy: -38.802 Base-Backbone interact. energy: -0.063 local terms energy: -55.044405 where: bonds (distance) C4'-P energy: -13.540 bonds (distance) P-C4' energy: -10.772 flat angles C4'-P-C4' energy: -13.734 flat angles P-C4'-P energy: -11.436 tors. eta vs tors. theta energy: -5.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -82.094670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.094670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.094670 (E_RNA) where: Base-Base interactions energy: -40.100 where: short stacking energy: -35.027 Base-Backbone interact. energy: -0.069 local terms energy: -41.925381 where: bonds (distance) C4'-P energy: -8.794 bonds (distance) P-C4' energy: -9.191 flat angles C4'-P-C4' energy: -14.106 flat angles P-C4'-P energy: -7.002 tors. eta vs tors. theta energy: -2.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -88.189568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.189568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.189568 (E_RNA) where: Base-Base interactions energy: -45.047 where: short stacking energy: -30.987 Base-Backbone interact. energy: 0.637 local terms energy: -43.779835 where: bonds (distance) C4'-P energy: -12.185 bonds (distance) P-C4' energy: -10.958 flat angles C4'-P-C4' energy: -10.267 flat angles P-C4'-P energy: -6.086 tors. eta vs tors. theta energy: -4.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -96.302184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.302184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.302184 (E_RNA) where: Base-Base interactions energy: -56.605 where: short stacking energy: -22.252 Base-Backbone interact. energy: -0.680 local terms energy: -39.017743 where: bonds (distance) C4'-P energy: -11.405 bonds (distance) P-C4' energy: -11.329 flat angles C4'-P-C4' energy: -9.256 flat angles P-C4'-P energy: -6.456 tors. eta vs tors. theta energy: -0.573 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: 9 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -72.725978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.725978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.725978 (E_RNA) where: Base-Base interactions energy: -27.898 where: short stacking energy: -25.959 Base-Backbone interact. energy: 1.278 local terms energy: -46.105509 where: bonds (distance) C4'-P energy: -14.352 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -15.626 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: 1.847 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: 2 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -145.881230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.881230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.881230 (E_RNA) where: Base-Base interactions energy: -82.644 where: short stacking energy: -53.030 Base-Backbone interact. energy: -0.025 local terms energy: -63.212260 where: bonds (distance) C4'-P energy: -15.613 bonds (distance) P-C4' energy: -13.161 flat angles C4'-P-C4' energy: -11.983 flat angles P-C4'-P energy: -9.495 tors. eta vs tors. theta energy: -12.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -163.179962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.179962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.179962 (E_RNA) where: Base-Base interactions energy: -99.513 where: short stacking energy: -63.294 Base-Backbone interact. energy: -0.221 local terms energy: -63.445753 where: bonds (distance) C4'-P energy: -11.643 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -10.460 flat angles P-C4'-P energy: -13.036 tors. eta vs tors. theta energy: -14.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -133.186220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.186220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.186220 (E_RNA) where: Base-Base interactions energy: -78.764 where: short stacking energy: -44.053 Base-Backbone interact. energy: -0.387 local terms energy: -54.034832 where: bonds (distance) C4'-P energy: -13.241 bonds (distance) P-C4' energy: -10.908 flat angles C4'-P-C4' energy: -12.434 flat angles P-C4'-P energy: -8.608 tors. eta vs tors. theta energy: -8.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -132.348149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.348149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.348149 (E_RNA) where: Base-Base interactions energy: -73.971 where: short stacking energy: -48.294 Base-Backbone interact. energy: -0.064 local terms energy: -58.313474 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -15.485 flat angles C4'-P-C4' energy: -9.307 flat angles P-C4'-P energy: -11.224 tors. eta vs tors. theta energy: -8.555 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: 261 Temperature: 1.100000 Total energy: -132.364309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.364309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.364309 (E_RNA) where: Base-Base interactions energy: -82.767 where: short stacking energy: -50.638 Base-Backbone interact. energy: -0.007 local terms energy: -49.590420 where: bonds (distance) C4'-P energy: -11.565 bonds (distance) P-C4' energy: -12.811 flat angles C4'-P-C4' energy: -10.608 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -10.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -91.575549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.575549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.575549 (E_RNA) where: Base-Base interactions energy: -42.553 where: short stacking energy: -38.280 Base-Backbone interact. energy: -0.411 local terms energy: -48.611354 where: bonds (distance) C4'-P energy: -11.350 bonds (distance) P-C4' energy: -13.200 flat angles C4'-P-C4' energy: -13.998 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -6.948 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: 7, replica: 4 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -78.216778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.216778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.216778 (E_RNA) where: Base-Base interactions energy: -36.450 where: short stacking energy: -27.577 Base-Backbone interact. energy: 1.224 local terms energy: -42.989904 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -13.747 flat angles P-C4'-P energy: -2.257 tors. eta vs tors. theta energy: -4.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -84.131627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.131627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.131627 (E_RNA) where: Base-Base interactions energy: -39.596 where: short stacking energy: -22.954 Base-Backbone interact. energy: -0.093 local terms energy: -44.443157 where: bonds (distance) C4'-P energy: -10.890 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -10.005 flat angles P-C4'-P energy: -8.315 tors. eta vs tors. theta energy: -1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -81.695638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.695638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.695638 (E_RNA) where: Base-Base interactions energy: -32.600 where: short stacking energy: -30.545 Base-Backbone interact. energy: -0.356 local terms energy: -48.740205 where: bonds (distance) C4'-P energy: -11.573 bonds (distance) P-C4' energy: -9.347 flat angles C4'-P-C4' energy: -12.631 flat angles P-C4'-P energy: -8.091 tors. eta vs tors. theta energy: -7.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -69.884412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.884412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.884412 (E_RNA) where: Base-Base interactions energy: -22.325 where: short stacking energy: -22.325 Base-Backbone interact. energy: -0.186 local terms energy: -47.372989 where: bonds (distance) C4'-P energy: -10.633 bonds (distance) P-C4' energy: -13.404 flat angles C4'-P-C4' energy: -14.140 flat angles P-C4'-P energy: -10.475 tors. eta vs tors. theta energy: 1.280 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: 3 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -149.662676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.662676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.662676 (E_RNA) where: Base-Base interactions energy: -86.015 where: short stacking energy: -54.744 Base-Backbone interact. energy: -0.092 local terms energy: -63.555299 where: bonds (distance) C4'-P energy: -11.726 bonds (distance) P-C4' energy: -14.280 flat angles C4'-P-C4' energy: -11.875 flat angles P-C4'-P energy: -9.185 tors. eta vs tors. theta energy: -16.489 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: 2 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -151.228397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.228397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.228397 (E_RNA) where: Base-Base interactions energy: -90.617 where: short stacking energy: -56.203 Base-Backbone interact. energy: -0.004 local terms energy: -60.606985 where: bonds (distance) C4'-P energy: -14.061 bonds (distance) P-C4' energy: -14.998 flat angles C4'-P-C4' energy: -9.612 flat angles P-C4'-P energy: -9.787 tors. eta vs tors. theta energy: -12.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -147.380671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.380671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.380671 (E_RNA) where: Base-Base interactions energy: -88.292 where: short stacking energy: -58.935 Base-Backbone interact. energy: -0.086 local terms energy: -59.002596 where: bonds (distance) C4'-P energy: -11.291 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -12.734 flat angles P-C4'-P energy: -9.613 tors. eta vs tors. theta energy: -11.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -145.381389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.381389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.381389 (E_RNA) where: Base-Base interactions energy: -87.978 where: short stacking energy: -55.988 Base-Backbone interact. energy: -0.003 local terms energy: -57.400005 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -12.065 flat angles C4'-P-C4' energy: -14.513 flat angles P-C4'-P energy: -6.385 tors. eta vs tors. theta energy: -9.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -133.452436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.452436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.452436 (E_RNA) where: Base-Base interactions energy: -74.941 where: short stacking energy: -42.287 Base-Backbone interact. energy: -0.091 local terms energy: -58.420827 where: bonds (distance) C4'-P energy: -14.691 bonds (distance) P-C4' energy: -11.838 flat angles C4'-P-C4' energy: -13.813 flat angles P-C4'-P energy: -10.508 tors. eta vs tors. theta energy: -7.571 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: 10 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -93.999783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.999783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.999783 (E_RNA) where: Base-Base interactions energy: -40.509 where: short stacking energy: -37.357 Base-Backbone interact. energy: -0.025 local terms energy: -53.465087 where: bonds (distance) C4'-P energy: -13.890 bonds (distance) P-C4' energy: -11.977 flat angles C4'-P-C4' energy: -9.068 flat angles P-C4'-P energy: -8.733 tors. eta vs tors. theta energy: -9.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -92.557302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.557302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.557302 (E_RNA) where: Base-Base interactions energy: -44.189 where: short stacking energy: -44.056 Base-Backbone interact. energy: -0.016 local terms energy: -48.352761 where: bonds (distance) C4'-P energy: -10.261 bonds (distance) P-C4' energy: -9.379 flat angles C4'-P-C4' energy: -12.208 flat angles P-C4'-P energy: -8.962 tors. eta vs tors. theta energy: -7.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -82.225890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.225890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.225890 (E_RNA) where: Base-Base interactions energy: -34.721 where: short stacking energy: -34.626 Base-Backbone interact. energy: -0.043 local terms energy: -47.462582 where: bonds (distance) C4'-P energy: -13.759 bonds (distance) P-C4' energy: -12.413 flat angles C4'-P-C4' energy: -10.392 flat angles P-C4'-P energy: -7.496 tors. eta vs tors. theta energy: -3.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -78.886488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.886488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.886488 (E_RNA) where: Base-Base interactions energy: -33.028 where: short stacking energy: -28.827 Base-Backbone interact. energy: -0.133 local terms energy: -45.724859 where: bonds (distance) C4'-P energy: -11.605 bonds (distance) P-C4' energy: -10.923 flat angles C4'-P-C4' energy: -12.397 flat angles P-C4'-P energy: -7.980 tors. eta vs tors. theta energy: -2.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -67.978787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.978787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.978787 (E_RNA) where: Base-Base interactions energy: -35.472 where: short stacking energy: -30.269 Base-Backbone interact. energy: -0.778 local terms energy: -31.728315 where: bonds (distance) C4'-P energy: -5.751 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -7.942 flat angles P-C4'-P energy: -0.748 tors. eta vs tors. theta energy: -2.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -155.165130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.165130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.165130 (E_RNA) where: Base-Base interactions energy: -92.474 where: short stacking energy: -63.731 Base-Backbone interact. energy: -0.058 local terms energy: -62.633417 where: bonds (distance) C4'-P energy: -12.468 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -12.143 flat angles P-C4'-P energy: -8.665 tors. eta vs tors. theta energy: -13.556 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: 2, replica: 6 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -157.365889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.365889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.365889 (E_RNA) where: Base-Base interactions energy: -91.521 where: short stacking energy: -57.491 Base-Backbone interact. energy: 0.468 local terms energy: -66.312685 where: bonds (distance) C4'-P energy: -14.077 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -14.442 flat angles P-C4'-P energy: -7.660 tors. eta vs tors. theta energy: -17.229 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: 2 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -140.560041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.560041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.560041 (E_RNA) where: Base-Base interactions energy: -79.774 where: short stacking energy: -50.652 Base-Backbone interact. energy: -0.384 local terms energy: -60.402370 where: bonds (distance) C4'-P energy: -14.425 bonds (distance) P-C4' energy: -13.151 flat angles C4'-P-C4' energy: -10.142 flat angles P-C4'-P energy: -9.407 tors. eta vs tors. theta energy: -13.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -142.854193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.854193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.854193 (E_RNA) where: Base-Base interactions energy: -85.610 where: short stacking energy: -57.923 Base-Backbone interact. energy: -0.051 local terms energy: -57.193408 where: bonds (distance) C4'-P energy: -13.543 bonds (distance) P-C4' energy: -11.814 flat angles C4'-P-C4' energy: -11.461 flat angles P-C4'-P energy: -7.417 tors. eta vs tors. theta energy: -12.958 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: 5 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -133.974702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.974702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.974702 (E_RNA) where: Base-Base interactions energy: -83.657 where: short stacking energy: -57.653 Base-Backbone interact. energy: -0.027 local terms energy: -50.291341 where: bonds (distance) C4'-P energy: -12.658 bonds (distance) P-C4' energy: -10.480 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -9.685 tors. eta vs tors. theta energy: -10.172 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: 8 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -100.824224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.824224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.824224 (E_RNA) where: Base-Base interactions energy: -52.051 where: short stacking energy: -42.165 Base-Backbone interact. energy: -0.118 local terms energy: -48.655213 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -12.449 flat angles P-C4'-P energy: -8.446 tors. eta vs tors. theta energy: -1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -93.551243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.551243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.551243 (E_RNA) where: Base-Base interactions energy: -44.041 where: short stacking energy: -40.036 Base-Backbone interact. energy: -0.096 local terms energy: -49.413888 where: bonds (distance) C4'-P energy: -10.108 bonds (distance) P-C4' energy: -14.524 flat angles C4'-P-C4' energy: -8.034 flat angles P-C4'-P energy: -10.741 tors. eta vs tors. theta energy: -6.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -83.460283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.460283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.460283 (E_RNA) where: Base-Base interactions energy: -40.325 where: short stacking energy: -37.075 Base-Backbone interact. energy: -0.093 local terms energy: -43.042333 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -4.538 flat angles P-C4'-P energy: -7.767 tors. eta vs tors. theta energy: -3.224 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: 263 Temperature: 1.300000 Total energy: -68.287872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.287872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.287872 (E_RNA) where: Base-Base interactions energy: -27.245 where: short stacking energy: -20.087 Base-Backbone interact. energy: -0.639 local terms energy: -40.403809 where: bonds (distance) C4'-P energy: -12.839 bonds (distance) P-C4' energy: -9.462 flat angles C4'-P-C4' energy: -11.015 flat angles P-C4'-P energy: -5.630 tors. eta vs tors. theta energy: -1.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -72.843425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.843425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.843425 (E_RNA) where: Base-Base interactions energy: -33.715 where: short stacking energy: -31.016 Base-Backbone interact. energy: 0.084 local terms energy: -39.212216 where: bonds (distance) C4'-P energy: -10.686 bonds (distance) P-C4' energy: -9.154 flat angles C4'-P-C4' energy: -9.480 flat angles P-C4'-P energy: -5.320 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -159.481295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.481295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.481295 (E_RNA) where: Base-Base interactions energy: -99.161 where: short stacking energy: -60.596 Base-Backbone interact. energy: -0.377 local terms energy: -59.943585 where: bonds (distance) C4'-P energy: -11.991 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -14.480 flat angles P-C4'-P energy: -8.095 tors. eta vs tors. theta energy: -11.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -148.144325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.144325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.144325 (E_RNA) where: Base-Base interactions energy: -87.232 where: short stacking energy: -54.936 Base-Backbone interact. energy: -0.014 local terms energy: -60.898303 where: bonds (distance) C4'-P energy: -12.135 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -15.468 flat angles P-C4'-P energy: -6.401 tors. eta vs tors. theta energy: -14.092 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: 7 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -139.384248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.384248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.384248 (E_RNA) where: Base-Base interactions energy: -87.924 where: short stacking energy: -57.304 Base-Backbone interact. energy: -0.011 local terms energy: -51.448652 where: bonds (distance) C4'-P energy: -12.665 bonds (distance) P-C4' energy: -9.219 flat angles C4'-P-C4' energy: -12.667 flat angles P-C4'-P energy: -7.076 tors. eta vs tors. theta energy: -9.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -137.415371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.415371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.415371 (E_RNA) where: Base-Base interactions energy: -79.015 where: short stacking energy: -43.230 Base-Backbone interact. energy: 0.681 local terms energy: -59.082281 where: bonds (distance) C4'-P energy: -12.554 bonds (distance) P-C4' energy: -11.698 flat angles C4'-P-C4' energy: -13.849 flat angles P-C4'-P energy: -11.022 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: 5, replica: 8 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -108.775446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.775446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.775446 (E_RNA) where: Base-Base interactions energy: -53.489 where: short stacking energy: -43.830 Base-Backbone interact. energy: 2.035 local terms energy: -57.320582 where: bonds (distance) C4'-P energy: -13.048 bonds (distance) P-C4' energy: -13.937 flat angles C4'-P-C4' energy: -12.705 flat angles P-C4'-P energy: -9.975 tors. eta vs tors. theta energy: -7.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -116.284794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.284794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.284794 (E_RNA) where: Base-Base interactions energy: -67.635 where: short stacking energy: -39.074 Base-Backbone interact. energy: -1.124 local terms energy: -47.525086 where: bonds (distance) C4'-P energy: -13.217 bonds (distance) P-C4' energy: -12.271 flat angles C4'-P-C4' energy: -8.374 flat angles P-C4'-P energy: -6.668 tors. eta vs tors. theta energy: -6.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -81.579539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.579539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.579539 (E_RNA) where: Base-Base interactions energy: -32.102 where: short stacking energy: -30.824 Base-Backbone interact. energy: -0.018 local terms energy: -49.459455 where: bonds (distance) C4'-P energy: -13.026 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -9.584 flat angles P-C4'-P energy: -8.634 tors. eta vs tors. theta energy: -3.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -88.394137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.394137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.394137 (E_RNA) where: Base-Base interactions energy: -41.008 where: short stacking energy: -39.202 Base-Backbone interact. energy: -0.008 local terms energy: -47.377986 where: bonds (distance) C4'-P energy: -10.100 bonds (distance) P-C4' energy: -12.545 flat angles C4'-P-C4' energy: -11.081 flat angles P-C4'-P energy: -7.879 tors. eta vs tors. theta energy: -5.773 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: 1 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -86.341707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.341707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.341707 (E_RNA) where: Base-Base interactions energy: -38.845 where: short stacking energy: -26.861 Base-Backbone interact. energy: -0.061 local terms energy: -47.435354 where: bonds (distance) C4'-P energy: -13.936 bonds (distance) P-C4' energy: -13.036 flat angles C4'-P-C4' energy: -14.585 flat angles P-C4'-P energy: -3.175 tors. eta vs tors. theta energy: -2.703 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: 4 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -84.555299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.555299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.555299 (E_RNA) where: Base-Base interactions energy: -30.737 where: short stacking energy: -30.695 Base-Backbone interact. energy: -0.394 local terms energy: -53.424505 where: bonds (distance) C4'-P energy: -9.338 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -11.928 flat angles P-C4'-P energy: -9.337 tors. eta vs tors. theta energy: -9.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -156.916537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.916537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.916537 (E_RNA) where: Base-Base interactions energy: -90.167 where: short stacking energy: -60.240 Base-Backbone interact. energy: 1.091 local terms energy: -67.840742 where: bonds (distance) C4'-P energy: -13.838 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -14.659 flat angles P-C4'-P energy: -10.046 tors. eta vs tors. theta energy: -13.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -143.634281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.634281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.634281 (E_RNA) where: Base-Base interactions energy: -84.278 where: short stacking energy: -55.483 Base-Backbone interact. energy: -0.034 local terms energy: -59.322995 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -12.508 flat angles C4'-P-C4' energy: -11.553 flat angles P-C4'-P energy: -9.594 tors. eta vs tors. theta energy: -11.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -131.624573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.624573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.624573 (E_RNA) where: Base-Base interactions energy: -77.437 where: short stacking energy: -45.627 Base-Backbone interact. energy: -0.045 local terms energy: -54.142925 where: bonds (distance) C4'-P energy: -9.462 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -14.402 flat angles P-C4'-P energy: -5.992 tors. eta vs tors. theta energy: -9.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -136.761279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.761279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.761279 (E_RNA) where: Base-Base interactions energy: -77.323 where: short stacking energy: -47.198 Base-Backbone interact. energy: -0.117 local terms energy: -59.321102 where: bonds (distance) C4'-P energy: -10.843 bonds (distance) P-C4' energy: -12.542 flat angles C4'-P-C4' energy: -14.525 flat angles P-C4'-P energy: -9.453 tors. eta vs tors. theta energy: -11.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -104.791118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.791118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.791118 (E_RNA) where: Base-Base interactions energy: -60.334 where: short stacking energy: -34.163 Base-Backbone interact. energy: 1.708 local terms energy: -46.165220 where: bonds (distance) C4'-P energy: -12.769 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -9.630 flat angles P-C4'-P energy: -6.499 tors. eta vs tors. theta energy: -3.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -81.137192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.137192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.137192 (E_RNA) where: Base-Base interactions energy: -35.424 where: short stacking energy: -32.007 Base-Backbone interact. energy: -0.027 local terms energy: -45.686384 where: bonds (distance) C4'-P energy: -10.957 bonds (distance) P-C4' energy: -12.035 flat angles C4'-P-C4' energy: -12.542 flat angles P-C4'-P energy: -8.886 tors. eta vs tors. theta energy: -1.267 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: 5 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -119.051445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.051445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.051445 (E_RNA) where: Base-Base interactions energy: -62.483 where: short stacking energy: -44.285 Base-Backbone interact. energy: -0.397 local terms energy: -56.171432 where: bonds (distance) C4'-P energy: -10.252 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -12.968 flat angles P-C4'-P energy: -7.930 tors. eta vs tors. theta energy: -9.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -104.575454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.575454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.575454 (E_RNA) where: Base-Base interactions energy: -48.596 where: short stacking energy: -43.926 Base-Backbone interact. energy: -0.004 local terms energy: -55.975778 where: bonds (distance) C4'-P energy: -11.783 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -14.384 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -9.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -86.356493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.356493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.356493 (E_RNA) where: Base-Base interactions energy: -38.833 where: short stacking energy: -38.833 Base-Backbone interact. energy: -0.079 local terms energy: -47.443855 where: bonds (distance) C4'-P energy: -13.006 bonds (distance) P-C4' energy: -12.654 flat angles C4'-P-C4' energy: -9.997 flat angles P-C4'-P energy: -6.377 tors. eta vs tors. theta energy: -5.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -80.603935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.603935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.603935 (E_RNA) where: Base-Base interactions energy: -30.419 where: short stacking energy: -29.336 Base-Backbone interact. energy: -0.026 local terms energy: -50.159136 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -12.275 flat angles C4'-P-C4' energy: -10.006 flat angles P-C4'-P energy: -8.845 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: 7 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -153.441921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.441921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.441921 (E_RNA) where: Base-Base interactions energy: -94.128 where: short stacking energy: -58.009 Base-Backbone interact. energy: -0.176 local terms energy: -59.137481 where: bonds (distance) C4'-P energy: -12.856 bonds (distance) P-C4' energy: -15.004 flat angles C4'-P-C4' energy: -11.422 flat angles P-C4'-P energy: -6.402 tors. eta vs tors. theta energy: -13.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -154.993392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.993392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.993392 (E_RNA) where: Base-Base interactions energy: -89.495 where: short stacking energy: -66.286 Base-Backbone interact. energy: -1.358 local terms energy: -64.140795 where: bonds (distance) C4'-P energy: -9.431 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -12.366 flat angles P-C4'-P energy: -11.918 tors. eta vs tors. theta energy: -15.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -154.215957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.215957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.215957 (E_RNA) where: Base-Base interactions energy: -89.949 where: short stacking energy: -57.744 Base-Backbone interact. energy: -0.030 local terms energy: -64.236956 where: bonds (distance) C4'-P energy: -14.644 bonds (distance) P-C4' energy: -12.663 flat angles C4'-P-C4' energy: -14.057 flat angles P-C4'-P energy: -9.148 tors. eta vs tors. theta energy: -13.724 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: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -138.346396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.346396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.346396 (E_RNA) where: Base-Base interactions energy: -79.272 where: short stacking energy: -54.315 Base-Backbone interact. energy: -0.459 local terms energy: -58.616045 where: bonds (distance) C4'-P energy: -11.196 bonds (distance) P-C4' energy: -8.627 flat angles C4'-P-C4' energy: -13.010 flat angles P-C4'-P energy: -11.818 tors. eta vs tors. theta energy: -13.966 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: 10 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -101.450655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.450655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.450655 (E_RNA) where: Base-Base interactions energy: -50.640 where: short stacking energy: -37.808 Base-Backbone interact. energy: 0.167 local terms energy: -50.977278 where: bonds (distance) C4'-P energy: -9.221 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -16.145 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -7.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -91.168319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.168319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.168319 (E_RNA) where: Base-Base interactions energy: -41.104 where: short stacking energy: -40.857 Base-Backbone interact. energy: -0.037 local terms energy: -50.027660 where: bonds (distance) C4'-P energy: -11.599 bonds (distance) P-C4' energy: -13.907 flat angles C4'-P-C4' energy: -13.177 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -6.533 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: 1 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -87.742791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.742791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.742791 (E_RNA) where: Base-Base interactions energy: -45.535 where: short stacking energy: -27.321 Base-Backbone interact. energy: -0.204 local terms energy: -42.004302 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -8.909 flat angles C4'-P-C4' energy: -11.518 flat angles P-C4'-P energy: -6.353 tors. eta vs tors. theta energy: -1.928 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: 5 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -100.223753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.223753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.223753 (E_RNA) where: Base-Base interactions energy: -49.805 where: short stacking energy: -33.107 Base-Backbone interact. energy: 1.403 local terms energy: -51.820932 where: bonds (distance) C4'-P energy: -14.401 bonds (distance) P-C4' energy: -10.324 flat angles C4'-P-C4' energy: -11.648 flat angles P-C4'-P energy: -10.194 tors. eta vs tors. theta energy: -5.254 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: 4 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -77.650727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.650727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.650727 (E_RNA) where: Base-Base interactions energy: -35.527 where: short stacking energy: -33.917 Base-Backbone interact. energy: -0.897 local terms energy: -41.226613 where: bonds (distance) C4'-P energy: -8.965 bonds (distance) P-C4' energy: -10.358 flat angles C4'-P-C4' energy: -12.513 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: -4.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -70.287235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.287235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.287235 (E_RNA) where: Base-Base interactions energy: -24.310 where: short stacking energy: -24.310 Base-Backbone interact. energy: -0.135 local terms energy: -45.842425 where: bonds (distance) C4'-P energy: -10.385 bonds (distance) P-C4' energy: -11.626 flat angles C4'-P-C4' energy: -11.715 flat angles P-C4'-P energy: -10.996 tors. eta vs tors. theta energy: -1.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -160.389539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.389539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.389539 (E_RNA) where: Base-Base interactions energy: -92.324 where: short stacking energy: -62.783 Base-Backbone interact. energy: -0.006 local terms energy: -68.059310 where: bonds (distance) C4'-P energy: -11.709 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -14.506 flat angles P-C4'-P energy: -9.962 tors. eta vs tors. theta energy: -16.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -142.249669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.249669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.249669 (E_RNA) where: Base-Base interactions energy: -78.784 where: short stacking energy: -53.451 Base-Backbone interact. energy: -0.200 local terms energy: -63.265771 where: bonds (distance) C4'-P energy: -14.350 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -11.447 flat angles P-C4'-P energy: -10.481 tors. eta vs tors. theta energy: -10.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -134.425866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.425866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.425866 (E_RNA) where: Base-Base interactions energy: -79.279 where: short stacking energy: -49.227 Base-Backbone interact. energy: 0.353 local terms energy: -55.500055 where: bonds (distance) C4'-P energy: -12.115 bonds (distance) P-C4' energy: -10.391 flat angles C4'-P-C4' energy: -11.841 flat angles P-C4'-P energy: -9.773 tors. eta vs tors. theta energy: -11.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -133.461962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.461962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.461962 (E_RNA) where: Base-Base interactions energy: -71.101 where: short stacking energy: -44.896 Base-Backbone interact. energy: -0.102 local terms energy: -62.259447 where: bonds (distance) C4'-P energy: -12.728 bonds (distance) P-C4' energy: -11.966 flat angles C4'-P-C4' energy: -14.936 flat angles P-C4'-P energy: -11.079 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: 5, replica: 10 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -121.510123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.510123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.510123 (E_RNA) where: Base-Base interactions energy: -69.205 where: short stacking energy: -51.083 Base-Backbone interact. energy: 1.004 local terms energy: -53.308700 where: bonds (distance) C4'-P energy: -13.871 bonds (distance) P-C4' energy: -10.293 flat angles C4'-P-C4' energy: -12.375 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -11.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -96.119365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.119365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.119365 (E_RNA) where: Base-Base interactions energy: -45.947 where: short stacking energy: -45.947 Base-Backbone interact. energy: -0.051 local terms energy: -50.121623 where: bonds (distance) C4'-P energy: -11.191 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -10.781 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -8.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -91.955153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.955153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.955153 (E_RNA) where: Base-Base interactions energy: -39.383 where: short stacking energy: -38.454 Base-Backbone interact. energy: -0.148 local terms energy: -52.424004 where: bonds (distance) C4'-P energy: -11.875 bonds (distance) P-C4' energy: -10.180 flat angles C4'-P-C4' energy: -13.637 flat angles P-C4'-P energy: -9.553 tors. eta vs tors. theta energy: -7.179 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: 4 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -80.701407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.701407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.701407 (E_RNA) where: Base-Base interactions energy: -27.097 where: short stacking energy: -27.000 Base-Backbone interact. energy: -0.153 local terms energy: -53.451394 where: bonds (distance) C4'-P energy: -11.474 bonds (distance) P-C4' energy: -13.203 flat angles C4'-P-C4' energy: -13.151 flat angles P-C4'-P energy: -7.826 tors. eta vs tors. theta energy: -7.797 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: 5 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -79.310041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.310041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.310041 (E_RNA) where: Base-Base interactions energy: -30.577 where: short stacking energy: -30.383 Base-Backbone interact. energy: -0.642 local terms energy: -48.091428 where: bonds (distance) C4'-P energy: -10.091 bonds (distance) P-C4' energy: -14.500 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -7.818 tors. eta vs tors. theta energy: -2.133 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: 9 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -75.818788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.818788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.818788 (E_RNA) where: Base-Base interactions energy: -34.004 where: short stacking energy: -34.927 Base-Backbone interact. energy: -0.062 local terms energy: -41.753008 where: bonds (distance) C4'-P energy: -10.442 bonds (distance) P-C4' energy: -10.728 flat angles C4'-P-C4' energy: -11.633 flat angles P-C4'-P energy: -0.030 tors. eta vs tors. theta energy: -8.920 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: 7 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -161.666345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.666345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.666345 (E_RNA) where: Base-Base interactions energy: -93.793 where: short stacking energy: -59.465 Base-Backbone interact. energy: -0.126 local terms energy: -67.746831 where: bonds (distance) C4'-P energy: -13.771 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -14.189 flat angles P-C4'-P energy: -11.200 tors. eta vs tors. theta energy: -13.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -138.012181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.012181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.012181 (E_RNA) where: Base-Base interactions energy: -76.570 where: short stacking energy: -62.405 Base-Backbone interact. energy: -0.309 local terms energy: -61.133049 where: bonds (distance) C4'-P energy: -12.124 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -14.887 flat angles P-C4'-P energy: -10.303 tors. eta vs tors. theta energy: -9.913 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: 6 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -140.637238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.637238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.637238 (E_RNA) where: Base-Base interactions energy: -80.559 where: short stacking energy: -51.353 Base-Backbone interact. energy: -0.047 local terms energy: -60.031415 where: bonds (distance) C4'-P energy: -14.690 bonds (distance) P-C4' energy: -12.815 flat angles C4'-P-C4' energy: -11.956 flat angles P-C4'-P energy: -7.706 tors. eta vs tors. theta energy: -12.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -128.220119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.220119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.220119 (E_RNA) where: Base-Base interactions energy: -76.692 where: short stacking energy: -46.247 Base-Backbone interact. energy: -0.001 local terms energy: -51.527047 where: bonds (distance) C4'-P energy: -11.022 bonds (distance) P-C4' energy: -11.325 flat angles C4'-P-C4' energy: -14.369 flat angles P-C4'-P energy: -9.180 tors. eta vs tors. theta energy: -5.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -95.559104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.559104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.559104 (E_RNA) where: Base-Base interactions energy: -50.266 where: short stacking energy: -48.399 Base-Backbone interact. energy: 0.921 local terms energy: -46.213517 where: bonds (distance) C4'-P energy: -10.650 bonds (distance) P-C4' energy: -11.528 flat angles C4'-P-C4' energy: -11.200 flat angles P-C4'-P energy: -5.388 tors. eta vs tors. theta energy: -7.448 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: 1 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -87.519904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.519904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.519904 (E_RNA) where: Base-Base interactions energy: -37.447 where: short stacking energy: -37.419 Base-Backbone interact. energy: -0.049 local terms energy: -50.024526 where: bonds (distance) C4'-P energy: -11.776 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -15.189 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -5.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -87.229619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.229619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.229619 (E_RNA) where: Base-Base interactions energy: -34.738 where: short stacking energy: -27.073 Base-Backbone interact. energy: -0.036 local terms energy: -52.454851 where: bonds (distance) C4'-P energy: -13.304 bonds (distance) P-C4' energy: -14.712 flat angles C4'-P-C4' energy: -9.493 flat angles P-C4'-P energy: -6.744 tors. eta vs tors. theta energy: -8.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -91.639275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.639275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.639275 (E_RNA) where: Base-Base interactions energy: -45.204 where: short stacking energy: -33.198 Base-Backbone interact. energy: -0.192 local terms energy: -46.243593 where: bonds (distance) C4'-P energy: -9.060 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -11.943 flat angles P-C4'-P energy: -9.124 tors. eta vs tors. theta energy: -3.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -81.530630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.530630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.530630 (E_RNA) where: Base-Base interactions energy: -32.235 where: short stacking energy: -32.235 Base-Backbone interact. energy: -0.013 local terms energy: -49.282351 where: bonds (distance) C4'-P energy: -10.153 bonds (distance) P-C4' energy: -14.016 flat angles C4'-P-C4' energy: -7.894 flat angles P-C4'-P energy: -8.579 tors. eta vs tors. theta energy: -8.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -70.200563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.200563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.200563 (E_RNA) where: Base-Base interactions energy: -32.161 where: short stacking energy: -31.533 Base-Backbone interact. energy: -1.096 local terms energy: -36.942622 where: bonds (distance) C4'-P energy: -5.993 bonds (distance) P-C4' energy: -9.266 flat angles C4'-P-C4' energy: -10.873 flat angles P-C4'-P energy: -6.135 tors. eta vs tors. theta energy: -4.676 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: 7 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -155.460296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.460296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.460296 (E_RNA) where: Base-Base interactions energy: -95.667 where: short stacking energy: -59.879 Base-Backbone interact. energy: -0.002 local terms energy: -59.791809 where: bonds (distance) C4'-P energy: -14.127 bonds (distance) P-C4' energy: -13.704 flat angles C4'-P-C4' energy: -14.121 flat angles P-C4'-P energy: -6.600 tors. eta vs tors. theta energy: -11.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -136.737316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.737316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.737316 (E_RNA) where: Base-Base interactions energy: -73.436 where: short stacking energy: -55.894 Base-Backbone interact. energy: -0.037 local terms energy: -63.264878 where: bonds (distance) C4'-P energy: -14.239 bonds (distance) P-C4' energy: -10.654 flat angles C4'-P-C4' energy: -14.716 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -14.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -138.601469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.601469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.601469 (E_RNA) where: Base-Base interactions energy: -82.357 where: short stacking energy: -44.363 Base-Backbone interact. energy: -0.077 local terms energy: -56.167883 where: bonds (distance) C4'-P energy: -8.677 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -13.960 flat angles P-C4'-P energy: -9.524 tors. eta vs tors. theta energy: -10.447 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: 2 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -129.588275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.588275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.588275 (E_RNA) where: Base-Base interactions energy: -76.255 where: short stacking energy: -47.355 Base-Backbone interact. energy: -0.026 local terms energy: -53.306997 where: bonds (distance) C4'-P energy: -9.238 bonds (distance) P-C4' energy: -13.694 flat angles C4'-P-C4' energy: -14.819 flat angles P-C4'-P energy: -6.001 tors. eta vs tors. theta energy: -9.554 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: 10 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -97.843132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.843132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.843132 (E_RNA) where: Base-Base interactions energy: -40.319 where: short stacking energy: -40.319 Base-Backbone interact. energy: -0.015 local terms energy: -57.509753 where: bonds (distance) C4'-P energy: -13.022 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -14.864 flat angles P-C4'-P energy: -6.082 tors. eta vs tors. theta energy: -9.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -107.129183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.129183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.129183 (E_RNA) where: Base-Base interactions energy: -46.510 where: short stacking energy: -46.510 Base-Backbone interact. energy: -0.002 local terms energy: -60.617379 where: bonds (distance) C4'-P energy: -14.538 bonds (distance) P-C4' energy: -13.924 flat angles C4'-P-C4' energy: -12.521 flat angles P-C4'-P energy: -9.504 tors. eta vs tors. theta energy: -10.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -84.400996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.400996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.400996 (E_RNA) where: Base-Base interactions energy: -29.535 where: short stacking energy: -29.535 Base-Backbone interact. energy: -0.192 local terms energy: -54.673701 where: bonds (distance) C4'-P energy: -13.775 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -13.979 flat angles P-C4'-P energy: -7.892 tors. eta vs tors. theta energy: -3.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -81.678026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.678026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.678026 (E_RNA) where: Base-Base interactions energy: -31.936 where: short stacking energy: -28.833 Base-Backbone interact. energy: -0.221 local terms energy: -49.520729 where: bonds (distance) C4'-P energy: -10.235 bonds (distance) P-C4' energy: -11.838 flat angles C4'-P-C4' energy: -11.777 flat angles P-C4'-P energy: -8.122 tors. eta vs tors. theta energy: -7.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -84.539425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.539425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.539425 (E_RNA) where: Base-Base interactions energy: -43.095 where: short stacking energy: -43.395 Base-Backbone interact. energy: -0.056 local terms energy: -41.389008 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -10.247 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -4.079 tors. eta vs tors. theta energy: -8.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -75.318768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.318768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.318768 (E_RNA) where: Base-Base interactions energy: -37.572 where: short stacking energy: -37.572 Base-Backbone interact. energy: 1.101 local terms energy: -38.848069 where: bonds (distance) C4'-P energy: -10.270 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -12.907 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -4.470 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: 3 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -152.744738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.744738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.744738 (E_RNA) where: Base-Base interactions energy: -88.405 where: short stacking energy: -66.489 Base-Backbone interact. energy: -0.012 local terms energy: -64.327462 where: bonds (distance) C4'-P energy: -14.272 bonds (distance) P-C4' energy: -14.544 flat angles C4'-P-C4' energy: -13.907 flat angles P-C4'-P energy: -8.594 tors. eta vs tors. theta energy: -13.010 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: 7 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -152.271736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.271736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.271736 (E_RNA) where: Base-Base interactions energy: -89.574 where: short stacking energy: -57.293 Base-Backbone interact. energy: -0.094 local terms energy: -62.604564 where: bonds (distance) C4'-P energy: -14.230 bonds (distance) P-C4' energy: -11.676 flat angles C4'-P-C4' energy: -13.157 flat angles P-C4'-P energy: -9.645 tors. eta vs tors. theta energy: -13.896 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: 6 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -137.895748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.895748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.895748 (E_RNA) where: Base-Base interactions energy: -84.742 where: short stacking energy: -55.685 Base-Backbone interact. energy: -0.057 local terms energy: -53.096361 where: bonds (distance) C4'-P energy: -10.599 bonds (distance) P-C4' energy: -12.778 flat angles C4'-P-C4' energy: -10.654 flat angles P-C4'-P energy: -6.993 tors. eta vs tors. theta energy: -12.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -140.068719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.068719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.068719 (E_RNA) where: Base-Base interactions energy: -82.205 where: short stacking energy: -46.000 Base-Backbone interact. energy: -0.713 local terms energy: -57.150793 where: bonds (distance) C4'-P energy: -11.698 bonds (distance) P-C4' energy: -12.374 flat angles C4'-P-C4' energy: -13.798 flat angles P-C4'-P energy: -9.136 tors. eta vs tors. theta energy: -10.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -106.714205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.714205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.714205 (E_RNA) where: Base-Base interactions energy: -50.284 where: short stacking energy: -52.047 Base-Backbone interact. energy: -0.093 local terms energy: -56.336895 where: bonds (distance) C4'-P energy: -11.403 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -13.620 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -10.586 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: 6, replica: 10 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -83.533875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.533875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.533875 (E_RNA) where: Base-Base interactions energy: -40.111 where: short stacking energy: -29.519 Base-Backbone interact. energy: -0.055 local terms energy: -43.368383 where: bonds (distance) C4'-P energy: -14.832 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -1.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -86.784137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.784137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.784137 (E_RNA) where: Base-Base interactions energy: -38.327 where: short stacking energy: -36.215 Base-Backbone interact. energy: -0.029 local terms energy: -48.428345 where: bonds (distance) C4'-P energy: -10.811 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -12.700 flat angles P-C4'-P energy: -10.352 tors. eta vs tors. theta energy: -2.977 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: 1 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -91.845599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.845599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.845599 (E_RNA) where: Base-Base interactions energy: -48.166 where: short stacking energy: -39.772 Base-Backbone interact. energy: -0.221 local terms energy: -43.458125 where: bonds (distance) C4'-P energy: -8.343 bonds (distance) P-C4' energy: -12.175 flat angles C4'-P-C4' energy: -13.968 flat angles P-C4'-P energy: -2.632 tors. eta vs tors. theta energy: -6.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -71.574672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.574672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.574672 (E_RNA) where: Base-Base interactions energy: -28.178 where: short stacking energy: -28.178 Base-Backbone interact. energy: -0.094 local terms energy: -43.302919 where: bonds (distance) C4'-P energy: -14.653 bonds (distance) P-C4' energy: -12.703 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: -2.421 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: 8 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -68.210992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.210992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.210992 (E_RNA) where: Base-Base interactions energy: -19.328 where: short stacking energy: -14.439 Base-Backbone interact. energy: -0.025 local terms energy: -48.857792 where: bonds (distance) C4'-P energy: -13.493 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -10.026 flat angles P-C4'-P energy: -9.884 tors. eta vs tors. theta energy: -0.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -153.143324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.143324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.143324 (E_RNA) where: Base-Base interactions energy: -96.313 where: short stacking energy: -60.999 Base-Backbone interact. energy: -0.034 local terms energy: -56.796509 where: bonds (distance) C4'-P energy: -11.855 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -13.061 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -13.499 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: 6 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -151.444796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.444796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.444796 (E_RNA) where: Base-Base interactions energy: -95.890 where: short stacking energy: -57.079 Base-Backbone interact. energy: -0.166 local terms energy: -55.388470 where: bonds (distance) C4'-P energy: -10.791 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -13.536 flat angles P-C4'-P energy: -11.501 tors. eta vs tors. theta energy: -10.502 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: 7 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -149.986682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.986682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.986682 (E_RNA) where: Base-Base interactions energy: -87.261 where: short stacking energy: -55.038 Base-Backbone interact. energy: -0.022 local terms energy: -62.703695 where: bonds (distance) C4'-P energy: -13.329 bonds (distance) P-C4' energy: -12.041 flat angles C4'-P-C4' energy: -14.159 flat angles P-C4'-P energy: -10.485 tors. eta vs tors. theta energy: -12.690 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: 2 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -146.782179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.782179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.782179 (E_RNA) where: Base-Base interactions energy: -85.837 where: short stacking energy: -54.438 Base-Backbone interact. energy: -0.234 local terms energy: -60.711094 where: bonds (distance) C4'-P energy: -13.593 bonds (distance) P-C4' energy: -13.416 flat angles C4'-P-C4' energy: -11.832 flat angles P-C4'-P energy: -10.751 tors. eta vs tors. theta energy: -11.119 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: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -109.889586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.889586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.889586 (E_RNA) where: Base-Base interactions energy: -52.225 where: short stacking energy: -52.225 Base-Backbone interact. energy: -0.000 local terms energy: -57.664007 where: bonds (distance) C4'-P energy: -11.991 bonds (distance) P-C4' energy: -12.862 flat angles C4'-P-C4' energy: -13.110 flat angles P-C4'-P energy: -4.367 tors. eta vs tors. theta energy: -15.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -96.589035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.589035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.589035 (E_RNA) where: Base-Base interactions energy: -46.019 where: short stacking energy: -43.861 Base-Backbone interact. energy: 0.082 local terms energy: -50.652265 where: bonds (distance) C4'-P energy: -11.722 bonds (distance) P-C4' energy: -10.339 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -7.316 tors. eta vs tors. theta energy: -7.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -88.197089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.197089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.197089 (E_RNA) where: Base-Base interactions energy: -36.182 where: short stacking energy: -36.182 Base-Backbone interact. energy: -0.073 local terms energy: -51.942182 where: bonds (distance) C4'-P energy: -13.750 bonds (distance) P-C4' energy: -12.120 flat angles C4'-P-C4' energy: -12.831 flat angles P-C4'-P energy: -8.191 tors. eta vs tors. theta energy: -5.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -89.141213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.141213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.141213 (E_RNA) where: Base-Base interactions energy: -43.890 where: short stacking energy: -43.890 Base-Backbone interact. energy: -0.013 local terms energy: -45.237757 where: bonds (distance) C4'-P energy: -12.673 bonds (distance) P-C4' energy: -10.133 flat angles C4'-P-C4' energy: -9.532 flat angles P-C4'-P energy: -7.479 tors. eta vs tors. theta energy: -5.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -95.000033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.000033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.000033 (E_RNA) where: Base-Base interactions energy: -38.937 where: short stacking energy: -29.325 Base-Backbone interact. energy: -0.178 local terms energy: -55.884776 where: bonds (distance) C4'-P energy: -12.062 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -12.231 flat angles P-C4'-P energy: -8.208 tors. eta vs tors. theta energy: -10.358 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: 8 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -86.688477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.688477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.688477 (E_RNA) where: Base-Base interactions energy: -38.919 where: short stacking energy: -38.919 Base-Backbone interact. energy: -0.121 local terms energy: -47.648695 where: bonds (distance) C4'-P energy: -10.455 bonds (distance) P-C4' energy: -9.565 flat angles C4'-P-C4' energy: -12.516 flat angles P-C4'-P energy: -7.046 tors. eta vs tors. theta energy: -8.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -157.949555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.949555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.949555 (E_RNA) where: Base-Base interactions energy: -99.392 where: short stacking energy: -60.156 Base-Backbone interact. energy: -0.050 local terms energy: -58.507690 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -12.564 flat angles P-C4'-P energy: -7.659 tors. eta vs tors. theta energy: -12.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -149.467814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.467814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.467814 (E_RNA) where: Base-Base interactions energy: -86.599 where: short stacking energy: -51.146 Base-Backbone interact. energy: -0.005 local terms energy: -62.864053 where: bonds (distance) C4'-P energy: -15.125 bonds (distance) P-C4' energy: -11.679 flat angles C4'-P-C4' energy: -14.712 flat angles P-C4'-P energy: -7.979 tors. eta vs tors. theta energy: -13.368 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: 3, replica: 7 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -144.149641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.149641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.149641 (E_RNA) where: Base-Base interactions energy: -83.164 where: short stacking energy: -52.979 Base-Backbone interact. energy: -0.045 local terms energy: -60.940984 where: bonds (distance) C4'-P energy: -12.881 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -13.300 flat angles P-C4'-P energy: -7.750 tors. eta vs tors. theta energy: -13.224 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: 4, replica: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -134.587049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.587049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.587049 (E_RNA) where: Base-Base interactions energy: -79.914 where: short stacking energy: -45.307 Base-Backbone interact. energy: -0.605 local terms energy: -54.068953 where: bonds (distance) C4'-P energy: -15.071 bonds (distance) P-C4' energy: -10.776 flat angles C4'-P-C4' energy: -10.133 flat angles P-C4'-P energy: -6.024 tors. eta vs tors. theta energy: -12.064 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: 5, replica: 9 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -98.093954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.093954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.093954 (E_RNA) where: Base-Base interactions energy: -49.102 where: short stacking energy: -33.631 Base-Backbone interact. energy: -0.588 local terms energy: -48.404644 where: bonds (distance) C4'-P energy: -10.529 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -13.743 flat angles P-C4'-P energy: -6.858 tors. eta vs tors. theta energy: -2.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -98.456114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.456114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.456114 (E_RNA) where: Base-Base interactions energy: -44.212 where: short stacking energy: -44.312 Base-Backbone interact. energy: -0.032 local terms energy: -54.211815 where: bonds (distance) C4'-P energy: -12.347 bonds (distance) P-C4' energy: -12.940 flat angles C4'-P-C4' energy: -13.478 flat angles P-C4'-P energy: -6.802 tors. eta vs tors. theta energy: -8.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -87.936403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.936403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.936403 (E_RNA) where: Base-Base interactions energy: -50.365 where: short stacking energy: -50.030 Base-Backbone interact. energy: -0.005 local terms energy: -37.566394 where: bonds (distance) C4'-P energy: -8.945 bonds (distance) P-C4' energy: -10.911 flat angles C4'-P-C4' energy: -8.779 flat angles P-C4'-P energy: -2.245 tors. eta vs tors. theta energy: -6.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -101.480395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.480395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.480395 (E_RNA) where: Base-Base interactions energy: -41.389 where: short stacking energy: -41.389 Base-Backbone interact. energy: -0.014 local terms energy: -60.077353 where: bonds (distance) C4'-P energy: -9.407 bonds (distance) P-C4' energy: -13.265 flat angles C4'-P-C4' energy: -16.409 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -15.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -89.865379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.865379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.865379 (E_RNA) where: Base-Base interactions energy: -49.509 where: short stacking energy: -39.063 Base-Backbone interact. energy: 0.726 local terms energy: -41.082059 where: bonds (distance) C4'-P energy: -9.424 bonds (distance) P-C4' energy: -11.109 flat angles C4'-P-C4' energy: -11.982 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -78.435291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.435291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.435291 (E_RNA) where: Base-Base interactions energy: -37.168 where: short stacking energy: -36.646 Base-Backbone interact. energy: -0.018 local terms energy: -41.249591 where: bonds (distance) C4'-P energy: -9.656 bonds (distance) P-C4' energy: -8.065 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -10.312 tors. eta vs tors. theta energy: -5.611 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: 6 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -154.508635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.508635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.508635 (E_RNA) where: Base-Base interactions energy: -90.668 where: short stacking energy: -59.501 Base-Backbone interact. energy: -0.002 local terms energy: -63.837933 where: bonds (distance) C4'-P energy: -14.148 bonds (distance) P-C4' energy: -14.958 flat angles C4'-P-C4' energy: -14.164 flat angles P-C4'-P energy: -11.088 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: 2, replica: 7 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -163.888098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.888098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.888098 (E_RNA) where: Base-Base interactions energy: -101.783 where: short stacking energy: -59.940 Base-Backbone interact. energy: -0.736 local terms energy: -61.368838 where: bonds (distance) C4'-P energy: -12.248 bonds (distance) P-C4' energy: -14.955 flat angles C4'-P-C4' energy: -13.726 flat angles P-C4'-P energy: -9.431 tors. eta vs tors. theta energy: -11.008 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: 3 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -141.790760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.790760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.790760 (E_RNA) where: Base-Base interactions energy: -78.007 where: short stacking energy: -52.723 Base-Backbone interact. energy: -1.365 local terms energy: -62.418498 where: bonds (distance) C4'-P energy: -11.171 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -14.968 flat angles P-C4'-P energy: -9.547 tors. eta vs tors. theta energy: -12.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -152.568554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.568554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.568554 (E_RNA) where: Base-Base interactions energy: -90.614 where: short stacking energy: -57.906 Base-Backbone interact. energy: 0.316 local terms energy: -62.270565 where: bonds (distance) C4'-P energy: -15.953 bonds (distance) P-C4' energy: -12.278 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -9.963 tors. eta vs tors. theta energy: -15.334 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: 9 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -103.496561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.496561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.496561 (E_RNA) where: Base-Base interactions energy: -55.452 where: short stacking energy: -51.819 Base-Backbone interact. energy: -0.046 local terms energy: -47.998952 where: bonds (distance) C4'-P energy: -12.575 bonds (distance) P-C4' energy: -10.597 flat angles C4'-P-C4' energy: -7.977 flat angles P-C4'-P energy: -8.099 tors. eta vs tors. theta energy: -8.751 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: 10 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -109.611748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.611748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.611748 (E_RNA) where: Base-Base interactions energy: -48.515 where: short stacking energy: -39.352 Base-Backbone interact. energy: -0.022 local terms energy: -61.074387 where: bonds (distance) C4'-P energy: -12.984 bonds (distance) P-C4' energy: -12.389 flat angles C4'-P-C4' energy: -13.184 flat angles P-C4'-P energy: -10.923 tors. eta vs tors. theta energy: -11.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -80.995143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.995143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.995143 (E_RNA) where: Base-Base interactions energy: -39.663 where: short stacking energy: -28.450 Base-Backbone interact. energy: -0.716 local terms energy: -40.616128 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -9.669 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -10.138 tors. eta vs tors. theta energy: -2.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -93.342719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.342719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.342719 (E_RNA) where: Base-Base interactions energy: -37.809 where: short stacking energy: -39.298 Base-Backbone interact. energy: -0.028 local terms energy: -55.506430 where: bonds (distance) C4'-P energy: -10.927 bonds (distance) P-C4' energy: -12.914 flat angles C4'-P-C4' energy: -11.502 flat angles P-C4'-P energy: -9.127 tors. eta vs tors. theta energy: -11.036 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: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -80.766271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.766271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.766271 (E_RNA) where: Base-Base interactions energy: -38.210 where: short stacking energy: -31.152 Base-Backbone interact. energy: 0.201 local terms energy: -42.756760 where: bonds (distance) C4'-P energy: -7.347 bonds (distance) P-C4' energy: -10.135 flat angles C4'-P-C4' energy: -13.007 flat angles P-C4'-P energy: -8.169 tors. eta vs tors. theta energy: -4.100 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: 10, replica: 8 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -83.110913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.110913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.110913 (E_RNA) where: Base-Base interactions energy: -37.817 where: short stacking energy: -33.387 Base-Backbone interact. energy: -0.109 local terms energy: -45.185326 where: bonds (distance) C4'-P energy: -9.454 bonds (distance) P-C4' energy: -12.007 flat angles C4'-P-C4' energy: -12.541 flat angles P-C4'-P energy: -6.850 tors. eta vs tors. theta energy: -4.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -153.856555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.856555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.856555 (E_RNA) where: Base-Base interactions energy: -93.521 where: short stacking energy: -57.121 Base-Backbone interact. energy: -0.099 local terms energy: -60.237142 where: bonds (distance) C4'-P energy: -13.750 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -11.466 flat angles P-C4'-P energy: -8.585 tors. eta vs tors. theta energy: -11.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -152.500894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.500894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.500894 (E_RNA) where: Base-Base interactions energy: -91.032 where: short stacking energy: -60.129 Base-Backbone interact. energy: -0.022 local terms energy: -61.446465 where: bonds (distance) C4'-P energy: -13.643 bonds (distance) P-C4' energy: -11.820 flat angles C4'-P-C4' energy: -13.543 flat angles P-C4'-P energy: -10.784 tors. eta vs tors. theta energy: -11.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -149.975009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.975009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.975009 (E_RNA) where: Base-Base interactions energy: -89.252 where: short stacking energy: -53.647 Base-Backbone interact. energy: -0.001 local terms energy: -60.721895 where: bonds (distance) C4'-P energy: -14.843 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -11.987 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -14.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -138.708585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.708585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.708585 (E_RNA) where: Base-Base interactions energy: -82.504 where: short stacking energy: -53.057 Base-Backbone interact. energy: -0.003 local terms energy: -56.201662 where: bonds (distance) C4'-P energy: -13.117 bonds (distance) P-C4' energy: -13.239 flat angles C4'-P-C4' energy: -11.824 flat angles P-C4'-P energy: -5.890 tors. eta vs tors. theta energy: -12.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -107.797728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.797728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.797728 (E_RNA) where: Base-Base interactions energy: -49.378 where: short stacking energy: -46.771 Base-Backbone interact. energy: -0.010 local terms energy: -58.409795 where: bonds (distance) C4'-P energy: -12.794 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -12.841 flat angles P-C4'-P energy: -7.733 tors. eta vs tors. theta energy: -10.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -93.339847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.339847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.339847 (E_RNA) where: Base-Base interactions energy: -46.296 where: short stacking energy: -40.181 Base-Backbone interact. energy: -0.010 local terms energy: -47.033761 where: bonds (distance) C4'-P energy: -6.241 bonds (distance) P-C4' energy: -11.237 flat angles C4'-P-C4' energy: -13.225 flat angles P-C4'-P energy: -7.478 tors. eta vs tors. theta energy: -8.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -95.484656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.484656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.484656 (E_RNA) where: Base-Base interactions energy: -48.145 where: short stacking energy: -48.086 Base-Backbone interact. energy: -0.069 local terms energy: -47.270612 where: bonds (distance) C4'-P energy: -8.734 bonds (distance) P-C4' energy: -11.440 flat angles C4'-P-C4' energy: -10.381 flat angles P-C4'-P energy: -9.276 tors. eta vs tors. theta energy: -7.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -88.781448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.781448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.781448 (E_RNA) where: Base-Base interactions energy: -40.094 where: short stacking energy: -37.073 Base-Backbone interact. energy: -0.099 local terms energy: -48.588779 where: bonds (distance) C4'-P energy: -8.029 bonds (distance) P-C4' energy: -11.082 flat angles C4'-P-C4' energy: -14.301 flat angles P-C4'-P energy: -7.572 tors. eta vs tors. theta energy: -7.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -78.531884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.531884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.531884 (E_RNA) where: Base-Base interactions energy: -35.945 where: short stacking energy: -34.593 Base-Backbone interact. energy: -0.082 local terms energy: -42.504186 where: bonds (distance) C4'-P energy: -8.240 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -9.420 flat angles P-C4'-P energy: -8.013 tors. eta vs tors. theta energy: -3.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -69.863186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.863186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.863186 (E_RNA) where: Base-Base interactions energy: -26.104 where: short stacking energy: -26.104 Base-Backbone interact. energy: 0.340 local terms energy: -44.099442 where: bonds (distance) C4'-P energy: -12.301 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -10.100 flat angles P-C4'-P energy: -7.282 tors. eta vs tors. theta energy: 0.269 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: 1, replica: 7 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -164.800738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.800738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.800738 (E_RNA) where: Base-Base interactions energy: -103.888 where: short stacking energy: -64.541 Base-Backbone interact. energy: -0.121 local terms energy: -60.791313 where: bonds (distance) C4'-P energy: -10.190 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -12.843 flat angles P-C4'-P energy: -10.576 tors. eta vs tors. theta energy: -12.991 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: 6 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -150.869199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.869199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.869199 (E_RNA) where: Base-Base interactions energy: -87.678 where: short stacking energy: -58.178 Base-Backbone interact. energy: 0.529 local terms energy: -63.719701 where: bonds (distance) C4'-P energy: -11.602 bonds (distance) P-C4' energy: -14.230 flat angles C4'-P-C4' energy: -15.328 flat angles P-C4'-P energy: -9.711 tors. eta vs tors. theta energy: -12.849 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: 3, replica: 2 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -153.108849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.108849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.108849 (E_RNA) where: Base-Base interactions energy: -89.935 where: short stacking energy: -51.274 Base-Backbone interact. energy: -0.673 local terms energy: -62.501074 where: bonds (distance) C4'-P energy: -11.831 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -14.924 flat angles P-C4'-P energy: -10.211 tors. eta vs tors. theta energy: -12.493 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: 275 Temperature: 1.050000 Total energy: -109.762019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.762019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.762019 (E_RNA) where: Base-Base interactions energy: -52.921 where: short stacking energy: -52.920 Base-Backbone interact. energy: -0.073 local terms energy: -56.768807 where: bonds (distance) C4'-P energy: -5.665 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -16.899 flat angles P-C4'-P energy: -8.826 tors. eta vs tors. theta energy: -13.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -133.793296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.793296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.793296 (E_RNA) where: Base-Base interactions energy: -73.005 where: short stacking energy: -45.077 Base-Backbone interact. energy: -0.022 local terms energy: -60.765929 where: bonds (distance) C4'-P energy: -10.143 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -15.003 flat angles P-C4'-P energy: -11.467 tors. eta vs tors. theta energy: -11.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -84.243211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.243211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.243211 (E_RNA) where: Base-Base interactions energy: -38.623 where: short stacking energy: -38.551 Base-Backbone interact. energy: -0.274 local terms energy: -45.345793 where: bonds (distance) C4'-P energy: -11.696 bonds (distance) P-C4' energy: -12.615 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -0.741 tors. eta vs tors. theta energy: -7.344 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: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -97.758981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.758981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.758981 (E_RNA) where: Base-Base interactions energy: -43.743 where: short stacking energy: -43.743 Base-Backbone interact. energy: -0.009 local terms energy: -54.006473 where: bonds (distance) C4'-P energy: -12.583 bonds (distance) P-C4' energy: -12.057 flat angles C4'-P-C4' energy: -14.995 flat angles P-C4'-P energy: -8.020 tors. eta vs tors. theta energy: -6.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -95.157100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.157100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.157100 (E_RNA) where: Base-Base interactions energy: -50.521 where: short stacking energy: -46.245 Base-Backbone interact. energy: -0.145 local terms energy: -44.490718 where: bonds (distance) C4'-P energy: -11.614 bonds (distance) P-C4' energy: -9.224 flat angles C4'-P-C4' energy: -8.123 flat angles P-C4'-P energy: -6.101 tors. eta vs tors. theta energy: -9.429 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: 9, replica: 4 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -81.609009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.609009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.609009 (E_RNA) where: Base-Base interactions energy: -33.581 where: short stacking energy: -33.581 Base-Backbone interact. energy: -0.211 local terms energy: -47.817157 where: bonds (distance) C4'-P energy: -11.056 bonds (distance) P-C4' energy: -11.787 flat angles C4'-P-C4' energy: -9.419 flat angles P-C4'-P energy: -9.736 tors. eta vs tors. theta energy: -5.820 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: 5 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -69.828926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.828926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.828926 (E_RNA) where: Base-Base interactions energy: -32.179 where: short stacking energy: -27.105 Base-Backbone interact. energy: -0.160 local terms energy: -37.489661 where: bonds (distance) C4'-P energy: -14.832 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: -2.310 tors. eta vs tors. theta energy: -0.018 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: 6 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -152.151484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.151484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.151484 (E_RNA) where: Base-Base interactions energy: -96.110 where: short stacking energy: -60.183 Base-Backbone interact. energy: -0.006 local terms energy: -56.036126 where: bonds (distance) C4'-P energy: -11.391 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -6.815 flat angles P-C4'-P energy: -10.925 tors. eta vs tors. theta energy: -11.862 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: 7 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -149.782914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.782914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.782914 (E_RNA) where: Base-Base interactions energy: -89.643 where: short stacking energy: -53.771 Base-Backbone interact. energy: -0.046 local terms energy: -60.094054 where: bonds (distance) C4'-P energy: -12.277 bonds (distance) P-C4' energy: -12.296 flat angles C4'-P-C4' energy: -11.685 flat angles P-C4'-P energy: -11.321 tors. eta vs tors. theta energy: -12.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -147.448204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.448204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.448204 (E_RNA) where: Base-Base interactions energy: -87.836 where: short stacking energy: -52.961 Base-Backbone interact. energy: -0.092 local terms energy: -59.520530 where: bonds (distance) C4'-P energy: -13.912 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -13.303 flat angles P-C4'-P energy: -7.580 tors. eta vs tors. theta energy: -10.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -130.001990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.001990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.001990 (E_RNA) where: Base-Base interactions energy: -80.901 where: short stacking energy: -54.183 Base-Backbone interact. energy: -0.043 local terms energy: -49.058079 where: bonds (distance) C4'-P energy: -9.726 bonds (distance) P-C4' energy: -14.253 flat angles C4'-P-C4' energy: -12.452 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -6.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -127.293460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.293460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.293460 (E_RNA) where: Base-Base interactions energy: -69.737 where: short stacking energy: -41.263 Base-Backbone interact. energy: 0.393 local terms energy: -57.949713 where: bonds (distance) C4'-P energy: -13.030 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -14.257 flat angles P-C4'-P energy: -9.490 tors. eta vs tors. theta energy: -6.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -103.893502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.893502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.893502 (E_RNA) where: Base-Base interactions energy: -50.671 where: short stacking energy: -50.671 Base-Backbone interact. energy: -0.003 local terms energy: -53.219491 where: bonds (distance) C4'-P energy: -10.393 bonds (distance) P-C4' energy: -9.796 flat angles C4'-P-C4' energy: -13.127 flat angles P-C4'-P energy: -11.152 tors. eta vs tors. theta energy: -8.751 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: 276 Temperature: 1.200000 Total energy: -93.425622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.425622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.425622 (E_RNA) where: Base-Base interactions energy: -37.561 where: short stacking energy: -37.561 Base-Backbone interact. energy: -0.003 local terms energy: -55.862269 where: bonds (distance) C4'-P energy: -13.696 bonds (distance) P-C4' energy: -12.983 flat angles C4'-P-C4' energy: -9.578 flat angles P-C4'-P energy: -8.128 tors. eta vs tors. theta energy: -11.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -86.953040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.953040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.953040 (E_RNA) where: Base-Base interactions energy: -41.319 where: short stacking energy: -31.317 Base-Backbone interact. energy: -0.011 local terms energy: -45.623062 where: bonds (distance) C4'-P energy: -14.264 bonds (distance) P-C4' energy: -9.498 flat angles C4'-P-C4' energy: -10.630 flat angles P-C4'-P energy: -9.248 tors. eta vs tors. theta energy: -1.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -70.528559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.528559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.528559 (E_RNA) where: Base-Base interactions energy: -27.960 where: short stacking energy: -23.004 Base-Backbone interact. energy: -0.109 local terms energy: -42.460240 where: bonds (distance) C4'-P energy: -11.790 bonds (distance) P-C4' energy: -11.868 flat angles C4'-P-C4' energy: -11.270 flat angles P-C4'-P energy: -4.226 tors. eta vs tors. theta energy: -3.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -66.563028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.563028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.563028 (E_RNA) where: Base-Base interactions energy: -26.337 where: short stacking energy: -21.759 Base-Backbone interact. energy: -0.231 local terms energy: -39.994940 where: bonds (distance) C4'-P energy: -10.849 bonds (distance) P-C4' energy: -12.238 flat angles C4'-P-C4' energy: -8.376 flat angles P-C4'-P energy: -9.301 tors. eta vs tors. theta energy: 0.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -147.458997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.458997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.458997 (E_RNA) where: Base-Base interactions energy: -84.480 where: short stacking energy: -54.941 Base-Backbone interact. energy: -0.040 local terms energy: -62.939037 where: bonds (distance) C4'-P energy: -14.235 bonds (distance) P-C4' energy: -12.014 flat angles C4'-P-C4' energy: -14.448 flat angles P-C4'-P energy: -10.481 tors. eta vs tors. theta energy: -11.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -149.106252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.106252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.106252 (E_RNA) where: Base-Base interactions energy: -83.494 where: short stacking energy: -50.051 Base-Backbone interact. energy: -1.204 local terms energy: -64.407762 where: bonds (distance) C4'-P energy: -14.624 bonds (distance) P-C4' energy: -11.839 flat angles C4'-P-C4' energy: -13.388 flat angles P-C4'-P energy: -9.204 tors. eta vs tors. theta energy: -15.352 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: 2 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -134.318478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.318478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.318478 (E_RNA) where: Base-Base interactions energy: -73.516 where: short stacking energy: -47.123 Base-Backbone interact. energy: -0.002 local terms energy: -60.799938 where: bonds (distance) C4'-P energy: -9.822 bonds (distance) P-C4' energy: -14.381 flat angles C4'-P-C4' energy: -14.059 flat angles P-C4'-P energy: -9.834 tors. eta vs tors. theta energy: -12.704 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: 3 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -131.478509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.478509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.478509 (E_RNA) where: Base-Base interactions energy: -72.328 where: short stacking energy: -45.975 Base-Backbone interact. energy: -0.024 local terms energy: -59.126455 where: bonds (distance) C4'-P energy: -14.822 bonds (distance) P-C4' energy: -11.939 flat angles C4'-P-C4' energy: -15.105 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: -12.403 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: 5, replica: 10 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -125.131116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.131116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.131116 (E_RNA) where: Base-Base interactions energy: -69.766 where: short stacking energy: -42.889 Base-Backbone interact. energy: -0.224 local terms energy: -55.141039 where: bonds (distance) C4'-P energy: -12.657 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -11.746 flat angles P-C4'-P energy: -8.083 tors. eta vs tors. theta energy: -8.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -110.574598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.574598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.574598 (E_RNA) where: Base-Base interactions energy: -50.510 where: short stacking energy: -50.510 Base-Backbone interact. energy: -0.003 local terms energy: -60.061974 where: bonds (distance) C4'-P energy: -9.134 bonds (distance) P-C4' energy: -12.201 flat angles C4'-P-C4' energy: -14.433 flat angles P-C4'-P energy: -10.191 tors. eta vs tors. theta energy: -14.102 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: 277 Temperature: 1.200000 Total energy: -82.878373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.878373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.878373 (E_RNA) where: Base-Base interactions energy: -30.658 where: short stacking energy: -30.423 Base-Backbone interact. energy: -0.109 local terms energy: -52.112044 where: bonds (distance) C4'-P energy: -14.167 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -9.339 flat angles P-C4'-P energy: -10.149 tors. eta vs tors. theta energy: -4.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -90.124346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.124346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.124346 (E_RNA) where: Base-Base interactions energy: -32.534 where: short stacking energy: -32.534 Base-Backbone interact. energy: -0.012 local terms energy: -57.577912 where: bonds (distance) C4'-P energy: -12.476 bonds (distance) P-C4' energy: -10.994 flat angles C4'-P-C4' energy: -13.695 flat angles P-C4'-P energy: -10.830 tors. eta vs tors. theta energy: -9.583 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: 5 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -78.771726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.771726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.771726 (E_RNA) where: Base-Base interactions energy: -39.222 where: short stacking energy: -39.222 Base-Backbone interact. energy: -0.020 local terms energy: -39.529739 where: bonds (distance) C4'-P energy: -13.730 bonds (distance) P-C4' energy: -9.599 flat angles C4'-P-C4' energy: -8.423 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -2.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -71.174628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.174628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.174628 (E_RNA) where: Base-Base interactions energy: -30.319 where: short stacking energy: -28.962 Base-Backbone interact. energy: -0.214 local terms energy: -40.641469 where: bonds (distance) C4'-P energy: -9.487 bonds (distance) P-C4' energy: -11.704 flat angles C4'-P-C4' energy: -11.665 flat angles P-C4'-P energy: -8.407 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: 1, replica: 7 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -152.575208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.575208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.575208 (E_RNA) where: Base-Base interactions energy: -93.668 where: short stacking energy: -55.532 Base-Backbone interact. energy: 0.018 local terms energy: -58.925251 where: bonds (distance) C4'-P energy: -12.620 bonds (distance) P-C4' energy: -12.247 flat angles C4'-P-C4' energy: -14.496 flat angles P-C4'-P energy: -9.731 tors. eta vs tors. theta energy: -9.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -136.616624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.616624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.616624 (E_RNA) where: Base-Base interactions energy: -80.830 where: short stacking energy: -46.643 Base-Backbone interact. energy: -0.019 local terms energy: -55.767957 where: bonds (distance) C4'-P energy: -11.611 bonds (distance) P-C4' energy: -13.527 flat angles C4'-P-C4' energy: -12.542 flat angles P-C4'-P energy: -10.148 tors. eta vs tors. theta energy: -7.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -145.358419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.358419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.358419 (E_RNA) where: Base-Base interactions energy: -80.750 where: short stacking energy: -49.838 Base-Backbone interact. energy: -0.509 local terms energy: -64.099585 where: bonds (distance) C4'-P energy: -11.383 bonds (distance) P-C4' energy: -10.963 flat angles C4'-P-C4' energy: -14.182 flat angles P-C4'-P energy: -11.357 tors. eta vs tors. theta energy: -16.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -130.000476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.000476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.000476 (E_RNA) where: Base-Base interactions energy: -76.640 where: short stacking energy: -46.523 Base-Backbone interact. energy: -0.540 local terms energy: -52.819719 where: bonds (distance) C4'-P energy: -12.778 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -8.903 tors. eta vs tors. theta energy: -11.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -121.196685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.196685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.196685 (E_RNA) where: Base-Base interactions energy: -73.308 where: short stacking energy: -46.325 Base-Backbone interact. energy: -1.202 local terms energy: -46.687102 where: bonds (distance) C4'-P energy: -11.340 bonds (distance) P-C4' energy: -11.884 flat angles C4'-P-C4' energy: -12.138 flat angles P-C4'-P energy: -7.212 tors. eta vs tors. theta energy: -4.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -91.346002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.346002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.346002 (E_RNA) where: Base-Base interactions energy: -46.114 where: short stacking energy: -40.081 Base-Backbone interact. energy: -0.413 local terms energy: -44.818819 where: bonds (distance) C4'-P energy: -9.201 bonds (distance) P-C4' energy: -10.367 flat angles C4'-P-C4' energy: -11.538 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -6.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -79.731562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.731562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.731562 (E_RNA) where: Base-Base interactions energy: -39.772 where: short stacking energy: -39.772 Base-Backbone interact. energy: -0.214 local terms energy: -39.745674 where: bonds (distance) C4'-P energy: -10.418 bonds (distance) P-C4' energy: -12.603 flat angles C4'-P-C4' energy: -11.432 flat angles P-C4'-P energy: -3.301 tors. eta vs tors. theta energy: -1.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -86.263382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.263382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.263382 (E_RNA) where: Base-Base interactions energy: -36.780 where: short stacking energy: -36.780 Base-Backbone interact. energy: -0.012 local terms energy: -49.471803 where: bonds (distance) C4'-P energy: -14.219 bonds (distance) P-C4' energy: -12.979 flat angles C4'-P-C4' energy: -11.566 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -5.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -73.728124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.728124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.728124 (E_RNA) where: Base-Base interactions energy: -34.839 where: short stacking energy: -34.839 Base-Backbone interact. energy: 0.064 local terms energy: -38.953003 where: bonds (distance) C4'-P energy: -8.041 bonds (distance) P-C4' energy: -10.574 flat angles C4'-P-C4' energy: -8.097 flat angles P-C4'-P energy: -7.128 tors. eta vs tors. theta energy: -5.113 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: 5 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -71.699581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.699581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.699581 (E_RNA) where: Base-Base interactions energy: -30.340 where: short stacking energy: -16.333 Base-Backbone interact. energy: -0.144 local terms energy: -41.215558 where: bonds (distance) C4'-P energy: -12.347 bonds (distance) P-C4' energy: -15.105 flat angles C4'-P-C4' energy: -11.323 flat angles P-C4'-P energy: -4.984 tors. eta vs tors. theta energy: 2.543 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: 7 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -162.789960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.789960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.789960 (E_RNA) where: Base-Base interactions energy: -100.325 where: short stacking energy: -63.513 Base-Backbone interact. energy: -0.010 local terms energy: -62.454677 where: bonds (distance) C4'-P energy: -12.720 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -12.229 flat angles P-C4'-P energy: -7.323 tors. eta vs tors. theta energy: -15.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -147.733424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.733424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.733424 (E_RNA) where: Base-Base interactions energy: -94.042 where: short stacking energy: -58.903 Base-Backbone interact. energy: -0.223 local terms energy: -53.468774 where: bonds (distance) C4'-P energy: -10.795 bonds (distance) P-C4' energy: -12.866 flat angles C4'-P-C4' energy: -13.090 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -12.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -158.966254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.966254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.966254 (E_RNA) where: Base-Base interactions energy: -94.439 where: short stacking energy: -60.026 Base-Backbone interact. energy: -0.003 local terms energy: -64.524216 where: bonds (distance) C4'-P energy: -13.109 bonds (distance) P-C4' energy: -12.762 flat angles C4'-P-C4' energy: -12.601 flat angles P-C4'-P energy: -8.199 tors. eta vs tors. theta energy: -17.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -143.748354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.748354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.748354 (E_RNA) where: Base-Base interactions energy: -85.895 where: short stacking energy: -52.046 Base-Backbone interact. energy: -0.036 local terms energy: -57.817451 where: bonds (distance) C4'-P energy: -10.887 bonds (distance) P-C4' energy: -14.868 flat angles C4'-P-C4' energy: -10.325 flat angles P-C4'-P energy: -11.319 tors. eta vs tors. theta energy: -10.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -139.174948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.174948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.174948 (E_RNA) where: Base-Base interactions energy: -84.002 where: short stacking energy: -52.680 Base-Backbone interact. energy: -0.171 local terms energy: -55.001380 where: bonds (distance) C4'-P energy: -12.555 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -13.901 flat angles P-C4'-P energy: -6.378 tors. eta vs tors. theta energy: -9.090 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: 9 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -97.048673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.048673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.048673 (E_RNA) where: Base-Base interactions energy: -42.595 where: short stacking energy: -42.595 Base-Backbone interact. energy: -0.147 local terms energy: -54.306333 where: bonds (distance) C4'-P energy: -14.330 bonds (distance) P-C4' energy: -14.906 flat angles C4'-P-C4' energy: -10.254 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -9.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -88.966761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.966761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.966761 (E_RNA) where: Base-Base interactions energy: -37.561 where: short stacking energy: -23.359 Base-Backbone interact. energy: -0.299 local terms energy: -51.106658 where: bonds (distance) C4'-P energy: -15.001 bonds (distance) P-C4' energy: -14.241 flat angles C4'-P-C4' energy: -9.417 flat angles P-C4'-P energy: -9.709 tors. eta vs tors. theta energy: -2.739 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: 4 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -90.806541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.806541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.806541 (E_RNA) where: Base-Base interactions energy: -40.186 where: short stacking energy: -21.299 Base-Backbone interact. energy: -0.235 local terms energy: -50.385916 where: bonds (distance) C4'-P energy: -14.558 bonds (distance) P-C4' energy: -14.942 flat angles C4'-P-C4' energy: -10.031 flat angles P-C4'-P energy: -9.116 tors. eta vs tors. theta energy: -1.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -85.005567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.005567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.005567 (E_RNA) where: Base-Base interactions energy: -38.010 where: short stacking energy: -34.609 Base-Backbone interact. energy: -0.084 local terms energy: -46.911585 where: bonds (distance) C4'-P energy: -9.350 bonds (distance) P-C4' energy: -11.755 flat angles C4'-P-C4' energy: -12.071 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -9.006 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: 10, replica: 5 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -73.186044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.186044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.186044 (E_RNA) where: Base-Base interactions energy: -26.016 where: short stacking energy: -26.016 Base-Backbone interact. energy: -0.106 local terms energy: -47.063814 where: bonds (distance) C4'-P energy: -11.185 bonds (distance) P-C4' energy: -11.824 flat angles C4'-P-C4' energy: -9.900 flat angles P-C4'-P energy: -11.060 tors. eta vs tors. theta energy: -3.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -163.369222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.369222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.369222 (E_RNA) where: Base-Base interactions energy: -96.067 where: short stacking energy: -61.486 Base-Backbone interact. energy: -0.067 local terms energy: -67.235094 where: bonds (distance) C4'-P energy: -13.241 bonds (distance) P-C4' energy: -14.719 flat angles C4'-P-C4' energy: -15.124 flat angles P-C4'-P energy: -7.045 tors. eta vs tors. theta energy: -17.106 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: 3 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -160.838969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.838969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.838969 (E_RNA) where: Base-Base interactions energy: -97.625 where: short stacking energy: -71.037 Base-Backbone interact. energy: -0.005 local terms energy: -63.209421 where: bonds (distance) C4'-P energy: -10.890 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -14.752 flat angles P-C4'-P energy: -8.715 tors. eta vs tors. theta energy: -15.376 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: 280 Temperature: 1.000000 Total energy: -141.762034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.762034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.762034 (E_RNA) where: Base-Base interactions energy: -87.978 where: short stacking energy: -51.594 Base-Backbone interact. energy: -0.188 local terms energy: -53.596563 where: bonds (distance) C4'-P energy: -13.282 bonds (distance) P-C4' energy: -12.755 flat angles C4'-P-C4' energy: -11.252 flat angles P-C4'-P energy: -6.969 tors. eta vs tors. theta energy: -9.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -140.491886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.491886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.491886 (E_RNA) where: Base-Base interactions energy: -84.584 where: short stacking energy: -55.282 Base-Backbone interact. energy: -0.077 local terms energy: -55.830885 where: bonds (distance) C4'-P energy: -11.826 bonds (distance) P-C4' energy: -12.996 flat angles C4'-P-C4' energy: -10.393 flat angles P-C4'-P energy: -6.662 tors. eta vs tors. theta energy: -13.954 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: 2 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -149.357059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.357059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.357059 (E_RNA) where: Base-Base interactions energy: -89.212 where: short stacking energy: -51.387 Base-Backbone interact. energy: -0.126 local terms energy: -60.019706 where: bonds (distance) C4'-P energy: -13.631 bonds (distance) P-C4' energy: -11.992 flat angles C4'-P-C4' energy: -13.690 flat angles P-C4'-P energy: -8.156 tors. eta vs tors. theta energy: -12.551 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: 9 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -99.263412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.263412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.263412 (E_RNA) where: Base-Base interactions energy: -46.463 where: short stacking energy: -46.685 Base-Backbone interact. energy: -0.335 local terms energy: -52.464803 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -10.802 flat angles C4'-P-C4' energy: -13.317 flat angles P-C4'-P energy: -9.551 tors. eta vs tors. theta energy: -5.959 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: 4 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -80.866603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.866603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.866603 (E_RNA) where: Base-Base interactions energy: -40.810 where: short stacking energy: -22.468 Base-Backbone interact. energy: -0.313 local terms energy: -39.743921 where: bonds (distance) C4'-P energy: -12.863 bonds (distance) P-C4' energy: -13.392 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -81.347728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.347728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.347728 (E_RNA) where: Base-Base interactions energy: -34.453 where: short stacking energy: -34.453 Base-Backbone interact. energy: -0.192 local terms energy: -46.702972 where: bonds (distance) C4'-P energy: -11.751 bonds (distance) P-C4' energy: -9.357 flat angles C4'-P-C4' energy: -10.397 flat angles P-C4'-P energy: -8.206 tors. eta vs tors. theta energy: -6.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -74.163067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.163067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.163067 (E_RNA) where: Base-Base interactions energy: -28.499 where: short stacking energy: -24.874 Base-Backbone interact. energy: -0.075 local terms energy: -45.588736 where: bonds (distance) C4'-P energy: -13.258 bonds (distance) P-C4' energy: -11.888 flat angles C4'-P-C4' energy: -13.367 flat angles P-C4'-P energy: -7.226 tors. eta vs tors. theta energy: 0.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -75.984262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.984262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.984262 (E_RNA) where: Base-Base interactions energy: -26.684 where: short stacking energy: -26.684 Base-Backbone interact. energy: -0.090 local terms energy: -49.210321 where: bonds (distance) C4'-P energy: -9.896 bonds (distance) P-C4' energy: -14.037 flat angles C4'-P-C4' energy: -9.348 flat angles P-C4'-P energy: -10.891 tors. eta vs tors. theta energy: -5.038 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: 7 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -149.531216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.531216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.531216 (E_RNA) where: Base-Base interactions energy: -93.913 where: short stacking energy: -60.924 Base-Backbone interact. energy: -0.386 local terms energy: -55.231772 where: bonds (distance) C4'-P energy: -11.527 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -11.858 flat angles P-C4'-P energy: -11.491 tors. eta vs tors. theta energy: -12.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -142.597912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.597912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.597912 (E_RNA) where: Base-Base interactions energy: -83.213 where: short stacking energy: -52.807 Base-Backbone interact. energy: -0.496 local terms energy: -58.889014 where: bonds (distance) C4'-P energy: -11.581 bonds (distance) P-C4' energy: -13.676 flat angles C4'-P-C4' energy: -10.985 flat angles P-C4'-P energy: -11.422 tors. eta vs tors. theta energy: -11.225 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: 3 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -138.069366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.069366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.069366 (E_RNA) where: Base-Base interactions energy: -79.412 where: short stacking energy: -53.970 Base-Backbone interact. energy: -0.154 local terms energy: -58.503449 where: bonds (distance) C4'-P energy: -10.881 bonds (distance) P-C4' energy: -14.378 flat angles C4'-P-C4' energy: -14.282 flat angles P-C4'-P energy: -9.152 tors. eta vs tors. theta energy: -9.810 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: 2 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -143.963168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.963168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.963168 (E_RNA) where: Base-Base interactions energy: -87.000 where: short stacking energy: -50.150 Base-Backbone interact. energy: -0.005 local terms energy: -56.958280 where: bonds (distance) C4'-P energy: -12.103 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -12.255 flat angles P-C4'-P energy: -8.266 tors. eta vs tors. theta energy: -10.090 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: 10 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -125.914222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.914222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.914222 (E_RNA) where: Base-Base interactions energy: -75.262 where: short stacking energy: -50.424 Base-Backbone interact. energy: -0.006 local terms energy: -50.646480 where: bonds (distance) C4'-P energy: -10.143 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -12.512 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -11.549 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: 9 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -100.997184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.997184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.997184 (E_RNA) where: Base-Base interactions energy: -49.376 where: short stacking energy: -33.584 Base-Backbone interact. energy: -0.327 local terms energy: -51.294576 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -11.194 flat angles C4'-P-C4' energy: -12.967 flat angles P-C4'-P energy: -9.751 tors. eta vs tors. theta energy: -4.778 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: 7, replica: 4 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -96.272835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.272835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.272835 (E_RNA) where: Base-Base interactions energy: -43.780 where: short stacking energy: -38.877 Base-Backbone interact. energy: -0.507 local terms energy: -51.985729 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -10.846 flat angles C4'-P-C4' energy: -11.292 flat angles P-C4'-P energy: -8.795 tors. eta vs tors. theta energy: -8.342 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: 5 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -76.349793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.349793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.349793 (E_RNA) where: Base-Base interactions energy: -35.725 where: short stacking energy: -32.784 Base-Backbone interact. energy: -0.248 local terms energy: -40.376520 where: bonds (distance) C4'-P energy: -8.802 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -10.116 flat angles P-C4'-P energy: -8.634 tors. eta vs tors. theta energy: 1.579 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: 1 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -63.709576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.709576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.709576 (E_RNA) where: Base-Base interactions energy: -24.712 where: short stacking energy: -11.913 Base-Backbone interact. energy: -0.743 local terms energy: -38.254169 where: bonds (distance) C4'-P energy: -8.245 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -7.468 flat angles P-C4'-P energy: -8.647 tors. eta vs tors. theta energy: 2.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -84.891844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.891844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.891844 (E_RNA) where: Base-Base interactions energy: -29.334 where: short stacking energy: -27.153 Base-Backbone interact. energy: -0.148 local terms energy: -55.409948 where: bonds (distance) C4'-P energy: -12.090 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -13.716 flat angles P-C4'-P energy: -12.617 tors. eta vs tors. theta energy: -3.232 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: 6 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -147.282028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.282028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.282028 (E_RNA) where: Base-Base interactions energy: -88.443 where: short stacking energy: -55.710 Base-Backbone interact. energy: -0.081 local terms energy: -58.757595 where: bonds (distance) C4'-P energy: -11.540 bonds (distance) P-C4' energy: -14.022 flat angles C4'-P-C4' energy: -14.879 flat angles P-C4'-P energy: -7.967 tors. eta vs tors. theta energy: -10.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -158.601692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.601692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.601692 (E_RNA) where: Base-Base interactions energy: -99.481 where: short stacking energy: -62.708 Base-Backbone interact. energy: -0.020 local terms energy: -59.101151 where: bonds (distance) C4'-P energy: -11.457 bonds (distance) P-C4' energy: -13.201 flat angles C4'-P-C4' energy: -11.563 flat angles P-C4'-P energy: -6.348 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: 3, replica: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -135.345155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.345155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.345155 (E_RNA) where: Base-Base interactions energy: -81.600 where: short stacking energy: -53.929 Base-Backbone interact. energy: -0.007 local terms energy: -53.738158 where: bonds (distance) C4'-P energy: -11.271 bonds (distance) P-C4' energy: -12.219 flat angles C4'-P-C4' energy: -11.602 flat angles P-C4'-P energy: -8.035 tors. eta vs tors. theta energy: -10.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -133.527354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.527354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.527354 (E_RNA) where: Base-Base interactions energy: -75.769 where: short stacking energy: -51.643 Base-Backbone interact. energy: -0.619 local terms energy: -57.139613 where: bonds (distance) C4'-P energy: -10.756 bonds (distance) P-C4' energy: -15.222 flat angles C4'-P-C4' energy: -14.111 flat angles P-C4'-P energy: -8.004 tors. eta vs tors. theta energy: -9.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -89.672725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.672725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.672725 (E_RNA) where: Base-Base interactions energy: -40.850 where: short stacking energy: -39.476 Base-Backbone interact. energy: -0.181 local terms energy: -48.641800 where: bonds (distance) C4'-P energy: -14.786 bonds (distance) P-C4' energy: -15.700 flat angles C4'-P-C4' energy: -8.347 flat angles P-C4'-P energy: -6.488 tors. eta vs tors. theta energy: -3.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -124.429386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.429386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.429386 (E_RNA) where: Base-Base interactions energy: -70.780 where: short stacking energy: -42.929 Base-Backbone interact. energy: -0.063 local terms energy: -53.586465 where: bonds (distance) C4'-P energy: -9.631 bonds (distance) P-C4' energy: -15.741 flat angles C4'-P-C4' energy: -11.092 flat angles P-C4'-P energy: -10.037 tors. eta vs tors. theta energy: -7.085 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: 4 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -83.196960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.196960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.196960 (E_RNA) where: Base-Base interactions energy: -36.252 where: short stacking energy: -35.923 Base-Backbone interact. energy: -0.156 local terms energy: -46.788469 where: bonds (distance) C4'-P energy: -9.445 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -11.129 flat angles P-C4'-P energy: -7.805 tors. eta vs tors. theta energy: -5.799 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: 8, replica: 5 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -85.018930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.018930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.018930 (E_RNA) where: Base-Base interactions energy: -34.958 where: short stacking energy: -34.958 Base-Backbone interact. energy: -0.001 local terms energy: -50.060456 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -12.675 flat angles C4'-P-C4' energy: -11.551 flat angles P-C4'-P energy: -6.370 tors. eta vs tors. theta energy: -7.298 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: 1 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -86.789483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.789483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.789483 (E_RNA) where: Base-Base interactions energy: -34.877 where: short stacking energy: -29.237 Base-Backbone interact. energy: -0.100 local terms energy: -51.812609 where: bonds (distance) C4'-P energy: -13.386 bonds (distance) P-C4' energy: -13.179 flat angles C4'-P-C4' energy: -12.225 flat angles P-C4'-P energy: -7.669 tors. eta vs tors. theta energy: -5.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -71.043913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.043913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.043913 (E_RNA) where: Base-Base interactions energy: -26.842 where: short stacking energy: -26.842 Base-Backbone interact. energy: -0.015 local terms energy: -44.187259 where: bonds (distance) C4'-P energy: -12.653 bonds (distance) P-C4' energy: -12.252 flat angles C4'-P-C4' energy: -10.993 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -2.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -164.684031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.684031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.684031 (E_RNA) where: Base-Base interactions energy: -99.511 where: short stacking energy: -66.024 Base-Backbone interact. energy: -0.026 local terms energy: -65.146826 where: bonds (distance) C4'-P energy: -9.445 bonds (distance) P-C4' energy: -14.447 flat angles C4'-P-C4' energy: -15.392 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -18.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -156.564630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.564630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.564630 (E_RNA) where: Base-Base interactions energy: -90.570 where: short stacking energy: -62.086 Base-Backbone interact. energy: -0.442 local terms energy: -65.552138 where: bonds (distance) C4'-P energy: -13.978 bonds (distance) P-C4' energy: -13.486 flat angles C4'-P-C4' energy: -14.253 flat angles P-C4'-P energy: -9.045 tors. eta vs tors. theta energy: -14.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -146.394734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.394734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.394734 (E_RNA) where: Base-Base interactions energy: -88.395 where: short stacking energy: -55.650 Base-Backbone interact. energy: -0.014 local terms energy: -57.985971 where: bonds (distance) C4'-P energy: -11.308 bonds (distance) P-C4' energy: -11.519 flat angles C4'-P-C4' energy: -13.432 flat angles P-C4'-P energy: -10.885 tors. eta vs tors. theta energy: -10.843 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: 2 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -137.989409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.989409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.989409 (E_RNA) where: Base-Base interactions energy: -83.052 where: short stacking energy: -52.909 Base-Backbone interact. energy: -0.739 local terms energy: -54.198664 where: bonds (distance) C4'-P energy: -11.751 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -12.265 flat angles P-C4'-P energy: -6.555 tors. eta vs tors. theta energy: -10.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -99.148684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.148684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.148684 (E_RNA) where: Base-Base interactions energy: -51.861 where: short stacking energy: -47.260 Base-Backbone interact. energy: -0.050 local terms energy: -47.237676 where: bonds (distance) C4'-P energy: -8.945 bonds (distance) P-C4' energy: -11.966 flat angles C4'-P-C4' energy: -9.620 flat angles P-C4'-P energy: -6.983 tors. eta vs tors. theta energy: -9.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -129.504735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.504735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.504735 (E_RNA) where: Base-Base interactions energy: -79.536 where: short stacking energy: -50.964 Base-Backbone interact. energy: -0.094 local terms energy: -49.874354 where: bonds (distance) C4'-P energy: -10.219 bonds (distance) P-C4' energy: -10.260 flat angles C4'-P-C4' energy: -13.897 flat angles P-C4'-P energy: -9.691 tors. eta vs tors. theta energy: -5.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -96.799697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.799697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.799697 (E_RNA) where: Base-Base interactions energy: -50.016 where: short stacking energy: -50.016 Base-Backbone interact. energy: -0.022 local terms energy: -46.761624 where: bonds (distance) C4'-P energy: -8.021 bonds (distance) P-C4' energy: -12.568 flat angles C4'-P-C4' energy: -9.213 flat angles P-C4'-P energy: -5.463 tors. eta vs tors. theta energy: -11.497 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: 8, replica: 5 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -90.130134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.130134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.130134 (E_RNA) where: Base-Base interactions energy: -37.141 where: short stacking energy: -33.393 Base-Backbone interact. energy: -0.280 local terms energy: -52.708571 where: bonds (distance) C4'-P energy: -9.648 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -13.866 flat angles P-C4'-P energy: -7.021 tors. eta vs tors. theta energy: -8.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -77.179926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.179926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.179926 (E_RNA) where: Base-Base interactions energy: -40.598 where: short stacking energy: -25.828 Base-Backbone interact. energy: -0.492 local terms energy: -36.090150 where: bonds (distance) C4'-P energy: -11.482 bonds (distance) P-C4' energy: -8.498 flat angles C4'-P-C4' energy: -8.874 flat angles P-C4'-P energy: -7.318 tors. eta vs tors. theta energy: 0.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -73.975363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.975363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.975363 (E_RNA) where: Base-Base interactions energy: -30.933 where: short stacking energy: -30.933 Base-Backbone interact. energy: -0.006 local terms energy: -43.036240 where: bonds (distance) C4'-P energy: -5.747 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -10.647 flat angles P-C4'-P energy: -8.894 tors. eta vs tors. theta energy: -4.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -152.225103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.225103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.225103 (E_RNA) where: Base-Base interactions energy: -96.328 where: short stacking energy: -54.897 Base-Backbone interact. energy: -0.055 local terms energy: -55.842253 where: bonds (distance) C4'-P energy: -11.919 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -12.584 flat angles P-C4'-P energy: -7.817 tors. eta vs tors. theta energy: -10.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -152.272815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.272815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.272815 (E_RNA) where: Base-Base interactions energy: -88.596 where: short stacking energy: -49.253 Base-Backbone interact. energy: -0.375 local terms energy: -63.302302 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -15.322 flat angles P-C4'-P energy: -9.991 tors. eta vs tors. theta energy: -11.521 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: 3, replica: 2 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -152.637621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.637621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.637621 (E_RNA) where: Base-Base interactions energy: -93.075 where: short stacking energy: -57.815 Base-Backbone interact. energy: 0.676 local terms energy: -60.238799 where: bonds (distance) C4'-P energy: -15.071 bonds (distance) P-C4' energy: -13.600 flat angles C4'-P-C4' energy: -13.122 flat angles P-C4'-P energy: -10.328 tors. eta vs tors. theta energy: -8.118 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: 284 Temperature: 1.050000 Total energy: -148.738323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.738323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.738323 (E_RNA) where: Base-Base interactions energy: -87.192 where: short stacking energy: -61.605 Base-Backbone interact. energy: -0.113 local terms energy: -61.433190 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -13.704 flat angles P-C4'-P energy: -9.190 tors. eta vs tors. theta energy: -11.478 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: 10 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -124.055619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.055619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.055619 (E_RNA) where: Base-Base interactions energy: -70.675 where: short stacking energy: -40.648 Base-Backbone interact. energy: -0.356 local terms energy: -53.024657 where: bonds (distance) C4'-P energy: -10.435 bonds (distance) P-C4' energy: -11.620 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -8.383 tors. eta vs tors. theta energy: -8.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -90.165237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.165237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.165237 (E_RNA) where: Base-Base interactions energy: -42.999 where: short stacking energy: -42.999 Base-Backbone interact. energy: -0.015 local terms energy: -47.151922 where: bonds (distance) C4'-P energy: -11.556 bonds (distance) P-C4' energy: -12.510 flat angles C4'-P-C4' energy: -11.330 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -7.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -83.022036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.022036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.022036 (E_RNA) where: Base-Base interactions energy: -35.187 where: short stacking energy: -29.895 Base-Backbone interact. energy: -0.099 local terms energy: -47.735942 where: bonds (distance) C4'-P energy: -11.868 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -11.341 flat angles P-C4'-P energy: -8.055 tors. eta vs tors. theta energy: -2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -83.639994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.639994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.639994 (E_RNA) where: Base-Base interactions energy: -29.560 where: short stacking energy: -24.812 Base-Backbone interact. energy: -0.082 local terms energy: -53.997782 where: bonds (distance) C4'-P energy: -14.716 bonds (distance) P-C4' energy: -14.221 flat angles C4'-P-C4' energy: -11.293 flat angles P-C4'-P energy: -9.059 tors. eta vs tors. theta energy: -4.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -75.682645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.682645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.682645 (E_RNA) where: Base-Base interactions energy: -33.643 where: short stacking energy: -18.728 Base-Backbone interact. energy: -1.460 local terms energy: -40.579723 where: bonds (distance) C4'-P energy: -9.578 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -8.911 tors. eta vs tors. theta energy: -1.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -68.363117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.363117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.363117 (E_RNA) where: Base-Base interactions energy: -23.660 where: short stacking energy: -22.011 Base-Backbone interact. energy: -0.808 local terms energy: -43.895647 where: bonds (distance) C4'-P energy: -8.810 bonds (distance) P-C4' energy: -11.290 flat angles C4'-P-C4' energy: -9.931 flat angles P-C4'-P energy: -7.759 tors. eta vs tors. theta energy: -6.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -159.396265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.396265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.396265 (E_RNA) where: Base-Base interactions energy: -95.018 where: short stacking energy: -55.266 Base-Backbone interact. energy: -0.002 local terms energy: -64.375540 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -11.769 flat angles C4'-P-C4' energy: -13.564 flat angles P-C4'-P energy: -9.805 tors. eta vs tors. theta energy: -14.672 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: 2 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -150.599254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.599254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.599254 (E_RNA) where: Base-Base interactions energy: -84.954 where: short stacking energy: -54.097 Base-Backbone interact. energy: -0.001 local terms energy: -65.644162 where: bonds (distance) C4'-P energy: -14.442 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -13.288 flat angles P-C4'-P energy: -7.688 tors. eta vs tors. theta energy: -14.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -156.239678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.239678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.239678 (E_RNA) where: Base-Base interactions energy: -96.796 where: short stacking energy: -62.970 Base-Backbone interact. energy: -0.001 local terms energy: -59.441949 where: bonds (distance) C4'-P energy: -10.845 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -11.843 flat angles P-C4'-P energy: -6.510 tors. eta vs tors. theta energy: -15.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -132.250317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.250317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.250317 (E_RNA) where: Base-Base interactions energy: -73.864 where: short stacking energy: -42.219 Base-Backbone interact. energy: -0.692 local terms energy: -57.694245 where: bonds (distance) C4'-P energy: -14.372 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -13.050 flat angles P-C4'-P energy: -5.800 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: 5, replica: 3 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -129.930569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.930569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.930569 (E_RNA) where: Base-Base interactions energy: -78.032 where: short stacking energy: -42.946 Base-Backbone interact. energy: -0.451 local terms energy: -51.447527 where: bonds (distance) C4'-P energy: -6.555 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -13.309 flat angles P-C4'-P energy: -9.795 tors. eta vs tors. theta energy: -6.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -89.078277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.078277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.078277 (E_RNA) where: Base-Base interactions energy: -42.921 where: short stacking energy: -41.299 Base-Backbone interact. energy: 0.348 local terms energy: -46.505024 where: bonds (distance) C4'-P energy: -11.655 bonds (distance) P-C4' energy: -9.677 flat angles C4'-P-C4' energy: -10.347 flat angles P-C4'-P energy: -10.401 tors. eta vs tors. theta energy: -4.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -92.223065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.223065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.223065 (E_RNA) where: Base-Base interactions energy: -42.675 where: short stacking energy: -41.305 Base-Backbone interact. energy: -0.097 local terms energy: -49.450567 where: bonds (distance) C4'-P energy: -10.758 bonds (distance) P-C4' energy: -13.889 flat angles C4'-P-C4' energy: -10.084 flat angles P-C4'-P energy: -6.365 tors. eta vs tors. theta energy: -8.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -99.268553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.268553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.268553 (E_RNA) where: Base-Base interactions energy: -55.044 where: short stacking energy: -39.657 Base-Backbone interact. energy: -0.099 local terms energy: -44.125702 where: bonds (distance) C4'-P energy: -12.728 bonds (distance) P-C4' energy: -11.619 flat angles C4'-P-C4' energy: -8.508 flat angles P-C4'-P energy: -7.631 tors. eta vs tors. theta energy: -3.640 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: 4 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -74.586235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.586235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.586235 (E_RNA) where: Base-Base interactions energy: -26.303 where: short stacking energy: -24.777 Base-Backbone interact. energy: -0.123 local terms energy: -48.159817 where: bonds (distance) C4'-P energy: -11.875 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -11.951 flat angles P-C4'-P energy: -7.972 tors. eta vs tors. theta energy: -2.382 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: 8 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -75.299925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.299925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.299925 (E_RNA) where: Base-Base interactions energy: -36.871 where: short stacking energy: -35.024 Base-Backbone interact. energy: -0.012 local terms energy: -38.417763 where: bonds (distance) C4'-P energy: -8.973 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -8.768 flat angles P-C4'-P energy: -6.888 tors. eta vs tors. theta energy: 0.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -161.965994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.965994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.965994 (E_RNA) where: Base-Base interactions energy: -98.265 where: short stacking energy: -66.089 Base-Backbone interact. energy: -0.076 local terms energy: -63.624841 where: bonds (distance) C4'-P energy: -11.767 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -12.813 flat angles P-C4'-P energy: -7.607 tors. eta vs tors. theta energy: -17.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -155.371584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.371584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.371584 (E_RNA) where: Base-Base interactions energy: -92.384 where: short stacking energy: -51.795 Base-Backbone interact. energy: 0.068 local terms energy: -63.055916 where: bonds (distance) C4'-P energy: -11.406 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -14.220 flat angles P-C4'-P energy: -11.214 tors. eta vs tors. theta energy: -12.665 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: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -153.543066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.543066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.543066 (E_RNA) where: Base-Base interactions energy: -97.029 where: short stacking energy: -54.561 Base-Backbone interact. energy: -0.087 local terms energy: -56.426824 where: bonds (distance) C4'-P energy: -12.576 bonds (distance) P-C4' energy: -11.023 flat angles C4'-P-C4' energy: -13.405 flat angles P-C4'-P energy: -8.276 tors. eta vs tors. theta energy: -11.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -139.611846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.611846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.611846 (E_RNA) where: Base-Base interactions energy: -82.830 where: short stacking energy: -57.773 Base-Backbone interact. energy: -0.041 local terms energy: -56.740240 where: bonds (distance) C4'-P energy: -15.514 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -13.271 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -10.756 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: 3 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -129.400365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.400365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.400365 (E_RNA) where: Base-Base interactions energy: -83.368 where: short stacking energy: -49.291 Base-Backbone interact. energy: -0.553 local terms energy: -45.479468 where: bonds (distance) C4'-P energy: -11.050 bonds (distance) P-C4' energy: -10.560 flat angles C4'-P-C4' energy: -13.072 flat angles P-C4'-P energy: -7.066 tors. eta vs tors. theta energy: -3.730 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: 286 Temperature: 1.150000 Total energy: -99.372189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.372189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.372189 (E_RNA) where: Base-Base interactions energy: -52.240 where: short stacking energy: -48.027 Base-Backbone interact. energy: -0.040 local terms energy: -47.092262 where: bonds (distance) C4'-P energy: -14.652 bonds (distance) P-C4' energy: -11.059 flat angles C4'-P-C4' energy: -8.211 flat angles P-C4'-P energy: -8.773 tors. eta vs tors. theta energy: -4.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -96.368853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.368853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.368853 (E_RNA) where: Base-Base interactions energy: -45.233 where: short stacking energy: -44.696 Base-Backbone interact. energy: 1.596 local terms energy: -52.731077 where: bonds (distance) C4'-P energy: -8.979 bonds (distance) P-C4' energy: -10.729 flat angles C4'-P-C4' energy: -13.402 flat angles P-C4'-P energy: -5.263 tors. eta vs tors. theta energy: -14.357 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: 5 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -86.396404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.396404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.396404 (E_RNA) where: Base-Base interactions energy: -44.687 where: short stacking energy: -42.596 Base-Backbone interact. energy: -0.007 local terms energy: -41.701758 where: bonds (distance) C4'-P energy: -8.985 bonds (distance) P-C4' energy: -7.912 flat angles C4'-P-C4' energy: -8.735 flat angles P-C4'-P energy: -9.175 tors. eta vs tors. theta energy: -6.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -75.318063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.318063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.318063 (E_RNA) where: Base-Base interactions energy: -36.661 where: short stacking energy: -33.068 Base-Backbone interact. energy: -0.295 local terms energy: -38.362178 where: bonds (distance) C4'-P energy: -10.720 bonds (distance) P-C4' energy: -8.963 flat angles C4'-P-C4' energy: -8.522 flat angles P-C4'-P energy: -8.654 tors. eta vs tors. theta energy: -1.503 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: 4 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -73.735165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.735165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.735165 (E_RNA) where: Base-Base interactions energy: -27.278 where: short stacking energy: -27.278 Base-Backbone interact. energy: -0.383 local terms energy: -46.073560 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -10.354 flat angles C4'-P-C4' energy: -13.822 flat angles P-C4'-P energy: -8.687 tors. eta vs tors. theta energy: -5.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -172.344462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.344462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.344462 (E_RNA) where: Base-Base interactions energy: -102.429 where: short stacking energy: -66.748 Base-Backbone interact. energy: -0.001 local terms energy: -69.914710 where: bonds (distance) C4'-P energy: -13.809 bonds (distance) P-C4' energy: -15.295 flat angles C4'-P-C4' energy: -13.892 flat angles P-C4'-P energy: -9.759 tors. eta vs tors. theta energy: -17.160 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: 7 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -155.627931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.627931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.627931 (E_RNA) where: Base-Base interactions energy: -90.451 where: short stacking energy: -52.066 Base-Backbone interact. energy: -0.848 local terms energy: -64.329493 where: bonds (distance) C4'-P energy: -13.482 bonds (distance) P-C4' energy: -13.517 flat angles C4'-P-C4' energy: -16.258 flat angles P-C4'-P energy: -8.454 tors. eta vs tors. theta energy: -12.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -144.482495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.482495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.482495 (E_RNA) where: Base-Base interactions energy: -84.473 where: short stacking energy: -48.555 Base-Backbone interact. energy: -0.002 local terms energy: -60.007376 where: bonds (distance) C4'-P energy: -15.037 bonds (distance) P-C4' energy: -11.624 flat angles C4'-P-C4' energy: -10.794 flat angles P-C4'-P energy: -8.560 tors. eta vs tors. theta energy: -13.992 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: 10 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -155.393279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.393279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.393279 (E_RNA) where: Base-Base interactions energy: -97.726 where: short stacking energy: -60.439 Base-Backbone interact. energy: -0.953 local terms energy: -56.714316 where: bonds (distance) C4'-P energy: -10.171 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -10.025 flat angles P-C4'-P energy: -9.870 tors. eta vs tors. theta energy: -14.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -119.995295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.995295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.995295 (E_RNA) where: Base-Base interactions energy: -66.836 where: short stacking energy: -40.757 Base-Backbone interact. energy: -0.107 local terms energy: -53.051942 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -13.155 flat angles C4'-P-C4' energy: -11.923 flat angles P-C4'-P energy: -7.738 tors. eta vs tors. theta energy: -6.327 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: 1 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -93.395199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.395199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.395199 (E_RNA) where: Base-Base interactions energy: -45.661 where: short stacking energy: -33.238 Base-Backbone interact. energy: -1.386 local terms energy: -46.348462 where: bonds (distance) C4'-P energy: -10.687 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -7.403 flat angles P-C4'-P energy: -7.151 tors. eta vs tors. theta energy: -7.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -92.967195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.967195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.967195 (E_RNA) where: Base-Base interactions energy: -51.346 where: short stacking energy: -34.345 Base-Backbone interact. energy: 0.960 local terms energy: -42.581065 where: bonds (distance) C4'-P energy: -13.986 bonds (distance) P-C4' energy: -10.182 flat angles C4'-P-C4' energy: -8.035 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -5.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -88.860432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.860432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.860432 (E_RNA) where: Base-Base interactions energy: -39.044 where: short stacking energy: -27.897 Base-Backbone interact. energy: -0.113 local terms energy: -49.702834 where: bonds (distance) C4'-P energy: -11.139 bonds (distance) P-C4' energy: -14.779 flat angles C4'-P-C4' energy: -11.468 flat angles P-C4'-P energy: -6.084 tors. eta vs tors. theta energy: -6.233 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: 5 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -77.182411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.182411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.182411 (E_RNA) where: Base-Base interactions energy: -27.888 where: short stacking energy: -26.523 Base-Backbone interact. energy: 0.167 local terms energy: -49.461506 where: bonds (distance) C4'-P energy: -4.026 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -12.130 flat angles P-C4'-P energy: -11.194 tors. eta vs tors. theta energy: -7.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -74.925724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.925724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.925724 (E_RNA) where: Base-Base interactions energy: -31.478 where: short stacking energy: -26.305 Base-Backbone interact. energy: -0.213 local terms energy: -43.234260 where: bonds (distance) C4'-P energy: -12.756 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -11.188 flat angles P-C4'-P energy: -6.513 tors. eta vs tors. theta energy: 0.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -171.145258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.145258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.145258 (E_RNA) where: Base-Base interactions energy: -103.484 where: short stacking energy: -64.305 Base-Backbone interact. energy: -0.511 local terms energy: -67.150073 where: bonds (distance) C4'-P energy: -12.240 bonds (distance) P-C4' energy: -14.124 flat angles C4'-P-C4' energy: -14.578 flat angles P-C4'-P energy: -9.949 tors. eta vs tors. theta energy: -16.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -157.486410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.486410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.486410 (E_RNA) where: Base-Base interactions energy: -89.840 where: short stacking energy: -51.193 Base-Backbone interact. energy: 0.702 local terms energy: -68.348503 where: bonds (distance) C4'-P energy: -12.157 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -14.167 flat angles P-C4'-P energy: -10.486 tors. eta vs tors. theta energy: -15.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -150.593775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.593775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.593775 (E_RNA) where: Base-Base interactions energy: -89.869 where: short stacking energy: -52.297 Base-Backbone interact. energy: -0.101 local terms energy: -60.623908 where: bonds (distance) C4'-P energy: -12.045 bonds (distance) P-C4' energy: -12.620 flat angles C4'-P-C4' energy: -13.363 flat angles P-C4'-P energy: -10.626 tors. eta vs tors. theta energy: -11.970 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: 6 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -158.592500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.592500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.592500 (E_RNA) where: Base-Base interactions energy: -92.284 where: short stacking energy: -62.954 Base-Backbone interact. energy: -0.004 local terms energy: -66.304507 where: bonds (distance) C4'-P energy: -9.440 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -16.015 flat angles P-C4'-P energy: -7.035 tors. eta vs tors. theta energy: -17.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -94.611650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.611650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.611650 (E_RNA) where: Base-Base interactions energy: -42.895 where: short stacking energy: -39.173 Base-Backbone interact. energy: -0.127 local terms energy: -51.590375 where: bonds (distance) C4'-P energy: -14.181 bonds (distance) P-C4' energy: -11.361 flat angles C4'-P-C4' energy: -13.264 flat angles P-C4'-P energy: -8.298 tors. eta vs tors. theta energy: -4.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -123.656098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.656098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.656098 (E_RNA) where: Base-Base interactions energy: -78.135 where: short stacking energy: -48.441 Base-Backbone interact. energy: -0.005 local terms energy: -45.516090 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -11.499 flat angles C4'-P-C4' energy: -11.259 flat angles P-C4'-P energy: -9.143 tors. eta vs tors. theta energy: -6.674 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: 8 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -84.070873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.070873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.070873 (E_RNA) where: Base-Base interactions energy: -42.132 where: short stacking energy: -41.775 Base-Backbone interact. energy: -0.347 local terms energy: -41.591045 where: bonds (distance) C4'-P energy: -7.288 bonds (distance) P-C4' energy: -13.416 flat angles C4'-P-C4' energy: -14.682 flat angles P-C4'-P energy: -5.907 tors. eta vs tors. theta energy: -0.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -77.377845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.377845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.377845 (E_RNA) where: Base-Base interactions energy: -31.844 where: short stacking energy: -29.206 Base-Backbone interact. energy: -0.010 local terms energy: -45.524006 where: bonds (distance) C4'-P energy: -14.214 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -7.661 flat angles P-C4'-P energy: -9.130 tors. eta vs tors. theta energy: -0.747 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: 4 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -85.806724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.806724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.806724 (E_RNA) where: Base-Base interactions energy: -44.662 where: short stacking energy: -43.622 Base-Backbone interact. energy: -0.016 local terms energy: -41.128613 where: bonds (distance) C4'-P energy: -6.454 bonds (distance) P-C4' energy: -10.065 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -9.953 tors. eta vs tors. theta energy: -7.991 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: 5 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -86.316401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.316401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.316401 (E_RNA) where: Base-Base interactions energy: -41.599 where: short stacking energy: -41.219 Base-Backbone interact. energy: -0.531 local terms energy: -44.187076 where: bonds (distance) C4'-P energy: -10.775 bonds (distance) P-C4' energy: -12.299 flat angles C4'-P-C4' energy: -12.496 flat angles P-C4'-P energy: -1.190 tors. eta vs tors. theta energy: -7.427 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: 7 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -160.124971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.124971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.124971 (E_RNA) where: Base-Base interactions energy: -96.989 where: short stacking energy: -63.783 Base-Backbone interact. energy: 0.538 local terms energy: -63.673124 where: bonds (distance) C4'-P energy: -13.017 bonds (distance) P-C4' energy: -12.225 flat angles C4'-P-C4' energy: -12.922 flat angles P-C4'-P energy: -10.550 tors. eta vs tors. theta energy: -14.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -153.450949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.450949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.450949 (E_RNA) where: Base-Base interactions energy: -88.866 where: short stacking energy: -59.558 Base-Backbone interact. energy: -0.126 local terms energy: -64.459094 where: bonds (distance) C4'-P energy: -13.768 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -13.885 flat angles P-C4'-P energy: -8.386 tors. eta vs tors. theta energy: -15.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -152.804596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.804596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.804596 (E_RNA) where: Base-Base interactions energy: -91.476 where: short stacking energy: -59.307 Base-Backbone interact. energy: -0.005 local terms energy: -61.323765 where: bonds (distance) C4'-P energy: -14.164 bonds (distance) P-C4' energy: -12.088 flat angles C4'-P-C4' energy: -9.867 flat angles P-C4'-P energy: -10.349 tors. eta vs tors. theta energy: -14.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -126.326652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.326652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.326652 (E_RNA) where: Base-Base interactions energy: -71.858 where: short stacking energy: -42.703 Base-Backbone interact. energy: -0.061 local terms energy: -54.407607 where: bonds (distance) C4'-P energy: -8.419 bonds (distance) P-C4' energy: -13.815 flat angles C4'-P-C4' energy: -13.762 flat angles P-C4'-P energy: -10.331 tors. eta vs tors. theta energy: -8.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -151.598915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.598915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.598915 (E_RNA) where: Base-Base interactions energy: -94.419 where: short stacking energy: -59.765 Base-Backbone interact. energy: -0.687 local terms energy: -56.492118 where: bonds (distance) C4'-P energy: -10.534 bonds (distance) P-C4' energy: -11.495 flat angles C4'-P-C4' energy: -11.376 flat angles P-C4'-P energy: -9.477 tors. eta vs tors. theta energy: -13.610 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: 3 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -113.798039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.798039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.798039 (E_RNA) where: Base-Base interactions energy: -66.804 where: short stacking energy: -40.224 Base-Backbone interact. energy: -0.045 local terms energy: -46.949056 where: bonds (distance) C4'-P energy: -10.671 bonds (distance) P-C4' energy: -12.095 flat angles C4'-P-C4' energy: -11.645 flat angles P-C4'-P energy: -7.806 tors. eta vs tors. theta energy: -4.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -109.250822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.250822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.250822 (E_RNA) where: Base-Base interactions energy: -63.250 where: short stacking energy: -40.392 Base-Backbone interact. energy: -0.149 local terms energy: -45.852770 where: bonds (distance) C4'-P energy: -7.872 bonds (distance) P-C4' energy: -8.949 flat angles C4'-P-C4' energy: -10.315 flat angles P-C4'-P energy: -9.670 tors. eta vs tors. theta energy: -9.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -104.583623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.583623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.583623 (E_RNA) where: Base-Base interactions energy: -46.096 where: short stacking energy: -42.117 Base-Backbone interact. energy: -0.046 local terms energy: -58.441468 where: bonds (distance) C4'-P energy: -15.890 bonds (distance) P-C4' energy: -12.872 flat angles C4'-P-C4' energy: -10.465 flat angles P-C4'-P energy: -8.473 tors. eta vs tors. theta energy: -10.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -77.460672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.460672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.460672 (E_RNA) where: Base-Base interactions energy: -32.750 where: short stacking energy: -27.151 Base-Backbone interact. energy: -0.900 local terms energy: -43.810765 where: bonds (distance) C4'-P energy: -12.078 bonds (distance) P-C4' energy: -6.031 flat angles C4'-P-C4' energy: -12.944 flat angles P-C4'-P energy: -9.976 tors. eta vs tors. theta energy: -2.781 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: 5 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -75.810324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.810324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.810324 (E_RNA) where: Base-Base interactions energy: -35.738 where: short stacking energy: -35.732 Base-Backbone interact. energy: -0.022 local terms energy: -40.050834 where: bonds (distance) C4'-P energy: -8.120 bonds (distance) P-C4' energy: -9.952 flat angles C4'-P-C4' energy: -8.407 flat angles P-C4'-P energy: -6.336 tors. eta vs tors. theta energy: -7.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -165.317629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.317629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.317629 (E_RNA) where: Base-Base interactions energy: -100.139 where: short stacking energy: -64.804 Base-Backbone interact. energy: -0.002 local terms energy: -65.176552 where: bonds (distance) C4'-P energy: -11.721 bonds (distance) P-C4' energy: -13.112 flat angles C4'-P-C4' energy: -13.962 flat angles P-C4'-P energy: -10.978 tors. eta vs tors. theta energy: -15.403 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: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -151.856771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.856771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.856771 (E_RNA) where: Base-Base interactions energy: -89.271 where: short stacking energy: -56.106 Base-Backbone interact. energy: -0.002 local terms energy: -62.583889 where: bonds (distance) C4'-P energy: -12.931 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -15.115 flat angles P-C4'-P energy: -7.799 tors. eta vs tors. theta energy: -14.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -151.938079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.938079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.938079 (E_RNA) where: Base-Base interactions energy: -88.485 where: short stacking energy: -56.824 Base-Backbone interact. energy: -0.003 local terms energy: -63.450489 where: bonds (distance) C4'-P energy: -13.652 bonds (distance) P-C4' energy: -15.112 flat angles C4'-P-C4' energy: -15.458 flat angles P-C4'-P energy: -8.207 tors. eta vs tors. theta energy: -11.022 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: 1 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -143.456404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.456404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.456404 (E_RNA) where: Base-Base interactions energy: -85.415 where: short stacking energy: -56.209 Base-Backbone interact. energy: -0.002 local terms energy: -58.038771 where: bonds (distance) C4'-P energy: -12.797 bonds (distance) P-C4' energy: -13.041 flat angles C4'-P-C4' energy: -9.887 flat angles P-C4'-P energy: -7.295 tors. eta vs tors. theta energy: -15.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -142.128201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.128201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.128201 (E_RNA) where: Base-Base interactions energy: -89.250 where: short stacking energy: -53.464 Base-Backbone interact. energy: -0.340 local terms energy: -52.537951 where: bonds (distance) C4'-P energy: -11.655 bonds (distance) P-C4' energy: -12.507 flat angles C4'-P-C4' energy: -9.690 flat angles P-C4'-P energy: -7.065 tors. eta vs tors. theta energy: -11.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -125.784504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.784504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.784504 (E_RNA) where: Base-Base interactions energy: -72.825 where: short stacking energy: -48.449 Base-Backbone interact. energy: 1.451 local terms energy: -54.410459 where: bonds (distance) C4'-P energy: -9.107 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -12.647 flat angles P-C4'-P energy: -7.233 tors. eta vs tors. theta energy: -10.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -115.723325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.723325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.723325 (E_RNA) where: Base-Base interactions energy: -56.919 where: short stacking energy: -49.673 Base-Backbone interact. energy: -0.477 local terms energy: -58.327117 where: bonds (distance) C4'-P energy: -12.107 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -12.414 flat angles P-C4'-P energy: -5.970 tors. eta vs tors. theta energy: -13.930 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: 4 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -94.576842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.576842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.576842 (E_RNA) where: Base-Base interactions energy: -41.372 where: short stacking energy: -41.372 Base-Backbone interact. energy: -1.347 local terms energy: -51.858176 where: bonds (distance) C4'-P energy: -14.628 bonds (distance) P-C4' energy: -10.172 flat angles C4'-P-C4' energy: -12.217 flat angles P-C4'-P energy: -8.618 tors. eta vs tors. theta energy: -6.223 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: 9 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -88.677798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.677798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.677798 (E_RNA) where: Base-Base interactions energy: -42.730 where: short stacking energy: -34.654 Base-Backbone interact. energy: 0.025 local terms energy: -45.972757 where: bonds (distance) C4'-P energy: -12.541 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -8.027 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -6.452 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: 5 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -68.165233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.165233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.165233 (E_RNA) where: Base-Base interactions energy: -28.836 where: short stacking energy: -23.060 Base-Backbone interact. energy: -0.043 local terms energy: -39.285439 where: bonds (distance) C4'-P energy: -13.109 bonds (distance) P-C4' energy: -7.344 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -10.024 tors. eta vs tors. theta energy: -2.822 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: 291 Temperature: 0.900000 Total energy: -168.268018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.268018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.268018 (E_RNA) where: Base-Base interactions energy: -107.025 where: short stacking energy: -67.965 Base-Backbone interact. energy: -0.059 local terms energy: -61.184266 where: bonds (distance) C4'-P energy: -8.203 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -12.222 flat angles P-C4'-P energy: -8.654 tors. eta vs tors. theta energy: -17.223 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: 7 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -155.863527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.863527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.863527 (E_RNA) where: Base-Base interactions energy: -93.261 where: short stacking energy: -54.824 Base-Backbone interact. energy: -0.029 local terms energy: -62.574090 where: bonds (distance) C4'-P energy: -14.202 bonds (distance) P-C4' energy: -13.645 flat angles C4'-P-C4' energy: -14.577 flat angles P-C4'-P energy: -8.846 tors. eta vs tors. theta energy: -11.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -153.040512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.040512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.040512 (E_RNA) where: Base-Base interactions energy: -99.933 where: short stacking energy: -59.148 Base-Backbone interact. energy: -0.328 local terms energy: -52.780161 where: bonds (distance) C4'-P energy: -9.592 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -10.629 flat angles P-C4'-P energy: -6.143 tors. eta vs tors. theta energy: -12.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -141.683922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.683922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.683922 (E_RNA) where: Base-Base interactions energy: -79.731 where: short stacking energy: -42.780 Base-Backbone interact. energy: -0.115 local terms energy: -61.838858 where: bonds (distance) C4'-P energy: -14.421 bonds (distance) P-C4' energy: -11.282 flat angles C4'-P-C4' energy: -12.005 flat angles P-C4'-P energy: -12.793 tors. eta vs tors. theta energy: -11.338 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: 1 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -129.077155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.077155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.077155 (E_RNA) where: Base-Base interactions energy: -78.273 where: short stacking energy: -44.352 Base-Backbone interact. energy: 0.908 local terms energy: -51.712131 where: bonds (distance) C4'-P energy: -11.450 bonds (distance) P-C4' energy: -10.768 flat angles C4'-P-C4' energy: -9.708 flat angles P-C4'-P energy: -10.081 tors. eta vs tors. theta energy: -9.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -133.604125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.604125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.604125 (E_RNA) where: Base-Base interactions energy: -77.368 where: short stacking energy: -48.937 Base-Backbone interact. energy: -0.114 local terms energy: -56.121824 where: bonds (distance) C4'-P energy: -13.130 bonds (distance) P-C4' energy: -10.788 flat angles C4'-P-C4' energy: -14.590 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: -10.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -88.014726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.014726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.014726 (E_RNA) where: Base-Base interactions energy: -43.759 where: short stacking energy: -37.327 Base-Backbone interact. energy: -0.714 local terms energy: -43.541765 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -12.676 flat angles C4'-P-C4' energy: -8.876 flat angles P-C4'-P energy: -8.655 tors. eta vs tors. theta energy: -6.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -90.054705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.054705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.054705 (E_RNA) where: Base-Base interactions energy: -45.902 where: short stacking energy: -45.902 Base-Backbone interact. energy: -0.012 local terms energy: -44.140493 where: bonds (distance) C4'-P energy: -5.288 bonds (distance) P-C4' energy: -10.904 flat angles C4'-P-C4' energy: -11.315 flat angles P-C4'-P energy: -7.453 tors. eta vs tors. theta energy: -9.181 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: 4 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -79.286212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.286212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.286212 (E_RNA) where: Base-Base interactions energy: -33.056 where: short stacking energy: -29.451 Base-Backbone interact. energy: -0.294 local terms energy: -45.935550 where: bonds (distance) C4'-P energy: -14.326 bonds (distance) P-C4' energy: -14.388 flat angles C4'-P-C4' energy: -13.267 flat angles P-C4'-P energy: -6.181 tors. eta vs tors. theta energy: 2.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -72.248650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.248650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.248650 (E_RNA) where: Base-Base interactions energy: -23.155 where: short stacking energy: -22.997 Base-Backbone interact. energy: -0.001 local terms energy: -49.092388 where: bonds (distance) C4'-P energy: -14.334 bonds (distance) P-C4' energy: -10.961 flat angles C4'-P-C4' energy: -12.444 flat angles P-C4'-P energy: -6.222 tors. eta vs tors. theta energy: -5.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -155.365156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.365156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.365156 (E_RNA) where: Base-Base interactions energy: -97.370 where: short stacking energy: -55.487 Base-Backbone interact. energy: -0.074 local terms energy: -57.921090 where: bonds (distance) C4'-P energy: -11.627 bonds (distance) P-C4' energy: -14.507 flat angles C4'-P-C4' energy: -12.496 flat angles P-C4'-P energy: -9.876 tors. eta vs tors. theta energy: -9.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -159.360741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.360741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.360741 (E_RNA) where: Base-Base interactions energy: -97.069 where: short stacking energy: -61.366 Base-Backbone interact. energy: 0.538 local terms energy: -62.830397 where: bonds (distance) C4'-P energy: -13.535 bonds (distance) P-C4' energy: -11.904 flat angles C4'-P-C4' energy: -13.935 flat angles P-C4'-P energy: -10.153 tors. eta vs tors. theta energy: -13.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -135.651677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.651677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.651677 (E_RNA) where: Base-Base interactions energy: -83.739 where: short stacking energy: -44.369 Base-Backbone interact. energy: -0.402 local terms energy: -51.510959 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -15.741 flat angles C4'-P-C4' energy: -8.786 flat angles P-C4'-P energy: -10.655 tors. eta vs tors. theta energy: -9.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -158.094958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.094958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.094958 (E_RNA) where: Base-Base interactions energy: -90.738 where: short stacking energy: -57.313 Base-Backbone interact. energy: -0.089 local terms energy: -67.268266 where: bonds (distance) C4'-P energy: -13.766 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -14.355 flat angles P-C4'-P energy: -10.828 tors. eta vs tors. theta energy: -12.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -140.114921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.114921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.114921 (E_RNA) where: Base-Base interactions energy: -84.692 where: short stacking energy: -57.651 Base-Backbone interact. energy: -0.015 local terms energy: -55.408034 where: bonds (distance) C4'-P energy: -10.696 bonds (distance) P-C4' energy: -13.433 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -8.602 tors. eta vs tors. theta energy: -15.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -130.529436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.529436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.529436 (E_RNA) where: Base-Base interactions energy: -72.461 where: short stacking energy: -39.197 Base-Backbone interact. energy: -0.049 local terms energy: -58.019011 where: bonds (distance) C4'-P energy: -10.650 bonds (distance) P-C4' energy: -16.035 flat angles C4'-P-C4' energy: -12.721 flat angles P-C4'-P energy: -10.812 tors. eta vs tors. theta energy: -7.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -108.694774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.694774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.694774 (E_RNA) where: Base-Base interactions energy: -60.212 where: short stacking energy: -43.846 Base-Backbone interact. energy: -0.091 local terms energy: -48.391779 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -7.701 flat angles P-C4'-P energy: -6.910 tors. eta vs tors. theta energy: -7.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -81.215126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.215126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.215126 (E_RNA) where: Base-Base interactions energy: -46.028 where: short stacking energy: -33.785 Base-Backbone interact. energy: -0.194 local terms energy: -34.992488 where: bonds (distance) C4'-P energy: -8.783 bonds (distance) P-C4' energy: -12.777 flat angles C4'-P-C4' energy: -8.964 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: 0.116 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: 5 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -69.665198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.665198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.665198 (E_RNA) where: Base-Base interactions energy: -19.750 where: short stacking energy: -19.750 Base-Backbone interact. energy: -0.216 local terms energy: -49.698847 where: bonds (distance) C4'-P energy: -6.980 bonds (distance) P-C4' energy: -12.799 flat angles C4'-P-C4' energy: -14.327 flat angles P-C4'-P energy: -9.610 tors. eta vs tors. theta energy: -5.984 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: 4 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -65.557495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.557495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.557495 (E_RNA) where: Base-Base interactions energy: -28.864 where: short stacking energy: -25.109 Base-Backbone interact. energy: -0.151 local terms energy: -36.542476 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -10.069 flat angles C4'-P-C4' energy: -9.380 flat angles P-C4'-P energy: -5.190 tors. eta vs tors. theta energy: 0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -159.159955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.159955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.159955 (E_RNA) where: Base-Base interactions energy: -93.523 where: short stacking energy: -56.253 Base-Backbone interact. energy: -0.541 local terms energy: -65.095686 where: bonds (distance) C4'-P energy: -14.106 bonds (distance) P-C4' energy: -13.616 flat angles C4'-P-C4' energy: -14.954 flat angles P-C4'-P energy: -8.467 tors. eta vs tors. theta energy: -13.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -154.071085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.071085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.071085 (E_RNA) where: Base-Base interactions energy: -94.861 where: short stacking energy: -52.170 Base-Backbone interact. energy: 0.753 local terms energy: -59.962425 where: bonds (distance) C4'-P energy: -12.294 bonds (distance) P-C4' energy: -14.762 flat angles C4'-P-C4' energy: -13.926 flat angles P-C4'-P energy: -6.900 tors. eta vs tors. theta energy: -12.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -141.840091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.840091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.840091 (E_RNA) where: Base-Base interactions energy: -83.944 where: short stacking energy: -47.276 Base-Backbone interact. energy: -0.442 local terms energy: -57.453255 where: bonds (distance) C4'-P energy: -10.537 bonds (distance) P-C4' energy: -14.007 flat angles C4'-P-C4' energy: -13.423 flat angles P-C4'-P energy: -11.369 tors. eta vs tors. theta energy: -8.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -144.018411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.018411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.018411 (E_RNA) where: Base-Base interactions energy: -84.732 where: short stacking energy: -57.259 Base-Backbone interact. energy: -0.009 local terms energy: -59.277048 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -12.909 flat angles C4'-P-C4' energy: -12.313 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: -14.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -129.428065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.428065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.428065 (E_RNA) where: Base-Base interactions energy: -69.912 where: short stacking energy: -36.917 Base-Backbone interact. energy: -0.290 local terms energy: -59.225741 where: bonds (distance) C4'-P energy: -10.953 bonds (distance) P-C4' energy: -14.160 flat angles C4'-P-C4' energy: -15.291 flat angles P-C4'-P energy: -9.064 tors. eta vs tors. theta energy: -9.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -101.642183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.642183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.642183 (E_RNA) where: Base-Base interactions energy: -53.355 where: short stacking energy: -46.194 Base-Backbone interact. energy: -0.052 local terms energy: -48.235760 where: bonds (distance) C4'-P energy: -11.723 bonds (distance) P-C4' energy: -10.028 flat angles C4'-P-C4' energy: -11.849 flat angles P-C4'-P energy: -3.164 tors. eta vs tors. theta energy: -11.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -122.860430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.860430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.860430 (E_RNA) where: Base-Base interactions energy: -74.477 where: short stacking energy: -28.513 Base-Backbone interact. energy: -0.057 local terms energy: -48.325889 where: bonds (distance) C4'-P energy: -10.175 bonds (distance) P-C4' energy: -10.906 flat angles C4'-P-C4' energy: -14.379 flat angles P-C4'-P energy: -8.348 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -81.885943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.885943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.885943 (E_RNA) where: Base-Base interactions energy: -35.730 where: short stacking energy: -17.817 Base-Backbone interact. energy: -0.062 local terms energy: -46.094195 where: bonds (distance) C4'-P energy: -14.099 bonds (distance) P-C4' energy: -12.821 flat angles C4'-P-C4' energy: -15.163 flat angles P-C4'-P energy: -6.933 tors. eta vs tors. theta energy: 2.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -76.038841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.038841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.038841 (E_RNA) where: Base-Base interactions energy: -25.702 where: short stacking energy: -24.314 Base-Backbone interact. energy: -0.080 local terms energy: -50.256692 where: bonds (distance) C4'-P energy: -12.512 bonds (distance) P-C4' energy: -11.142 flat angles C4'-P-C4' energy: -15.184 flat angles P-C4'-P energy: -9.280 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -73.951957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.951957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.951957 (E_RNA) where: Base-Base interactions energy: -32.068 where: short stacking energy: -26.577 Base-Backbone interact. energy: -0.473 local terms energy: -41.411045 where: bonds (distance) C4'-P energy: -6.584 bonds (distance) P-C4' energy: -9.985 flat angles C4'-P-C4' energy: -12.979 flat angles P-C4'-P energy: -7.284 tors. eta vs tors. theta energy: -4.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -146.411896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.411896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.411896 (E_RNA) where: Base-Base interactions energy: -85.203 where: short stacking energy: -55.523 Base-Backbone interact. energy: -0.284 local terms energy: -60.925125 where: bonds (distance) C4'-P energy: -13.208 bonds (distance) P-C4' energy: -14.255 flat angles C4'-P-C4' energy: -12.926 flat angles P-C4'-P energy: -7.752 tors. eta vs tors. theta energy: -12.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -166.916997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.916997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.916997 (E_RNA) where: Base-Base interactions energy: -109.761 where: short stacking energy: -62.841 Base-Backbone interact. energy: -0.719 local terms energy: -56.437111 where: bonds (distance) C4'-P energy: -6.463 bonds (distance) P-C4' energy: -13.209 flat angles C4'-P-C4' energy: -14.002 flat angles P-C4'-P energy: -9.126 tors. eta vs tors. theta energy: -13.638 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: 3, replica: 10 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -146.470611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.470611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.470611 (E_RNA) where: Base-Base interactions energy: -87.568 where: short stacking energy: -50.115 Base-Backbone interact. energy: -0.216 local terms energy: -58.687325 where: bonds (distance) C4'-P energy: -12.564 bonds (distance) P-C4' energy: -11.809 flat angles C4'-P-C4' energy: -12.072 flat angles P-C4'-P energy: -11.345 tors. eta vs tors. theta energy: -10.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -140.347005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.347005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.347005 (E_RNA) where: Base-Base interactions energy: -80.040 where: short stacking energy: -52.802 Base-Backbone interact. energy: -0.082 local terms energy: -60.224875 where: bonds (distance) C4'-P energy: -11.634 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -11.235 flat angles P-C4'-P energy: -11.320 tors. eta vs tors. theta energy: -10.728 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: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -139.596116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.596116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.596116 (E_RNA) where: Base-Base interactions energy: -76.771 where: short stacking energy: -37.231 Base-Backbone interact. energy: -1.083 local terms energy: -61.742799 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -14.017 flat angles P-C4'-P energy: -9.490 tors. eta vs tors. theta energy: -9.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -81.478018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.478018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.478018 (E_RNA) where: Base-Base interactions energy: -34.792 where: short stacking energy: -34.273 Base-Backbone interact. energy: -0.227 local terms energy: -46.459545 where: bonds (distance) C4'-P energy: -9.965 bonds (distance) P-C4' energy: -9.803 flat angles C4'-P-C4' energy: -12.810 flat angles P-C4'-P energy: -7.055 tors. eta vs tors. theta energy: -6.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -109.182186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.182186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.182186 (E_RNA) where: Base-Base interactions energy: -59.083 where: short stacking energy: -40.706 Base-Backbone interact. energy: -0.487 local terms energy: -49.611924 where: bonds (distance) C4'-P energy: -12.103 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -11.784 flat angles P-C4'-P energy: -8.151 tors. eta vs tors. theta energy: -10.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -84.807806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.807806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.807806 (E_RNA) where: Base-Base interactions energy: -34.507 where: short stacking energy: -33.076 Base-Backbone interact. energy: -0.063 local terms energy: -50.237327 where: bonds (distance) C4'-P energy: -8.778 bonds (distance) P-C4' energy: -14.232 flat angles C4'-P-C4' energy: -13.923 flat angles P-C4'-P energy: -6.867 tors. eta vs tors. theta energy: -6.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -83.948523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.948523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.948523 (E_RNA) where: Base-Base interactions energy: -40.522 where: short stacking energy: -39.282 Base-Backbone interact. energy: -0.202 local terms energy: -43.224392 where: bonds (distance) C4'-P energy: -11.051 bonds (distance) P-C4' energy: -7.710 flat angles C4'-P-C4' energy: -11.958 flat angles P-C4'-P energy: -10.338 tors. eta vs tors. theta energy: -2.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -71.251408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.251408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.251408 (E_RNA) where: Base-Base interactions energy: -27.911 where: short stacking energy: -27.911 Base-Backbone interact. energy: 0.334 local terms energy: -43.674850 where: bonds (distance) C4'-P energy: -14.931 bonds (distance) P-C4' energy: -16.218 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -2.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -157.769604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.769604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.769604 (E_RNA) where: Base-Base interactions energy: -89.454 where: short stacking energy: -49.243 Base-Backbone interact. energy: -0.468 local terms energy: -67.846698 where: bonds (distance) C4'-P energy: -15.704 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -13.326 flat angles P-C4'-P energy: -11.586 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: 2, replica: 10 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -151.896428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.896428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.896428 (E_RNA) where: Base-Base interactions energy: -94.682 where: short stacking energy: -58.309 Base-Backbone interact. energy: -0.009 local terms energy: -57.205867 where: bonds (distance) C4'-P energy: -10.596 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -11.319 flat angles P-C4'-P energy: -6.631 tors. eta vs tors. theta energy: -14.508 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: 3, replica: 7 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -155.643350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.643350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.643350 (E_RNA) where: Base-Base interactions energy: -94.131 where: short stacking energy: -63.617 Base-Backbone interact. energy: -0.002 local terms energy: -61.510441 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -13.489 flat angles C4'-P-C4' energy: -10.910 flat angles P-C4'-P energy: -7.321 tors. eta vs tors. theta energy: -15.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -143.021505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.021505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.021505 (E_RNA) where: Base-Base interactions energy: -82.423 where: short stacking energy: -51.605 Base-Backbone interact. energy: -0.004 local terms energy: -60.594961 where: bonds (distance) C4'-P energy: -12.960 bonds (distance) P-C4' energy: -13.801 flat angles C4'-P-C4' energy: -10.902 flat angles P-C4'-P energy: -9.337 tors. eta vs tors. theta energy: -13.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -135.298326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.298326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.298326 (E_RNA) where: Base-Base interactions energy: -75.093 where: short stacking energy: -42.644 Base-Backbone interact. energy: -0.054 local terms energy: -60.151619 where: bonds (distance) C4'-P energy: -14.198 bonds (distance) P-C4' energy: -16.021 flat angles C4'-P-C4' energy: -12.814 flat angles P-C4'-P energy: -8.203 tors. eta vs tors. theta energy: -8.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -117.384437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.384437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.384437 (E_RNA) where: Base-Base interactions energy: -69.925 where: short stacking energy: -38.110 Base-Backbone interact. energy: 0.041 local terms energy: -47.499881 where: bonds (distance) C4'-P energy: -13.084 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -10.421 flat angles P-C4'-P energy: -8.065 tors. eta vs tors. theta energy: -6.864 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: 9 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -81.156710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.156710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.156710 (E_RNA) where: Base-Base interactions energy: -34.683 where: short stacking energy: -33.143 Base-Backbone interact. energy: -0.226 local terms energy: -46.247383 where: bonds (distance) C4'-P energy: -8.591 bonds (distance) P-C4' energy: -12.511 flat angles C4'-P-C4' energy: -13.271 flat angles P-C4'-P energy: -6.318 tors. eta vs tors. theta energy: -5.556 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: 4 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -86.059453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.059453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.059453 (E_RNA) where: Base-Base interactions energy: -35.601 where: short stacking energy: -33.340 Base-Backbone interact. energy: -0.088 local terms energy: -50.370579 where: bonds (distance) C4'-P energy: -8.940 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -14.970 flat angles P-C4'-P energy: -6.506 tors. eta vs tors. theta energy: -5.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -94.030767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.030767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.030767 (E_RNA) where: Base-Base interactions energy: -56.369 where: short stacking energy: -30.951 Base-Backbone interact. energy: -0.463 local terms energy: -37.198478 where: bonds (distance) C4'-P energy: -12.516 bonds (distance) P-C4' energy: -11.723 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: -4.304 tors. eta vs tors. theta energy: -0.877 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: 10, replica: 5 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -70.309898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.309898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.309898 (E_RNA) where: Base-Base interactions energy: -26.065 where: short stacking energy: -26.065 Base-Backbone interact. energy: -0.301 local terms energy: -43.944514 where: bonds (distance) C4'-P energy: -11.722 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -9.027 flat angles P-C4'-P energy: -2.988 tors. eta vs tors. theta energy: -4.896 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: 10 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -167.518530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.518530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.518530 (E_RNA) where: Base-Base interactions energy: -100.253 where: short stacking energy: -70.817 Base-Backbone interact. energy: -0.012 local terms energy: -67.253970 where: bonds (distance) C4'-P energy: -12.202 bonds (distance) P-C4' energy: -14.868 flat angles C4'-P-C4' energy: -14.403 flat angles P-C4'-P energy: -10.305 tors. eta vs tors. theta energy: -15.476 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: 6 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -158.369428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.369428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.369428 (E_RNA) where: Base-Base interactions energy: -98.278 where: short stacking energy: -58.597 Base-Backbone interact. energy: -0.101 local terms energy: -59.990229 where: bonds (distance) C4'-P energy: -13.936 bonds (distance) P-C4' energy: -12.681 flat angles C4'-P-C4' energy: -11.146 flat angles P-C4'-P energy: -6.780 tors. eta vs tors. theta energy: -15.447 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: 3, replica: 3 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -147.246874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.246874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.246874 (E_RNA) where: Base-Base interactions energy: -89.967 where: short stacking energy: -59.021 Base-Backbone interact. energy: 0.235 local terms energy: -57.514808 where: bonds (distance) C4'-P energy: -14.521 bonds (distance) P-C4' energy: -9.328 flat angles C4'-P-C4' energy: -14.970 flat angles P-C4'-P energy: -7.172 tors. eta vs tors. theta energy: -11.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -140.833989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.833989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.833989 (E_RNA) where: Base-Base interactions energy: -83.883 where: short stacking energy: -56.202 Base-Backbone interact. energy: -0.001 local terms energy: -56.949787 where: bonds (distance) C4'-P energy: -11.953 bonds (distance) P-C4' energy: -11.788 flat angles C4'-P-C4' energy: -13.479 flat angles P-C4'-P energy: -6.548 tors. eta vs tors. theta energy: -13.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -136.935380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.935380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.935380 (E_RNA) where: Base-Base interactions energy: -91.444 where: short stacking energy: -54.024 Base-Backbone interact. energy: -0.076 local terms energy: -45.415644 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -12.483 flat angles C4'-P-C4' energy: -3.739 flat angles P-C4'-P energy: -6.464 tors. eta vs tors. theta energy: -9.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -124.671035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.671035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.671035 (E_RNA) where: Base-Base interactions energy: -69.251 where: short stacking energy: -47.591 Base-Backbone interact. energy: -0.121 local terms energy: -55.298962 where: bonds (distance) C4'-P energy: -12.694 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -13.900 flat angles P-C4'-P energy: -6.740 tors. eta vs tors. theta energy: -7.562 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: 4 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -91.989782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.989782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.989782 (E_RNA) where: Base-Base interactions energy: -42.461 where: short stacking energy: -42.418 Base-Backbone interact. energy: -0.057 local terms energy: -49.471733 where: bonds (distance) C4'-P energy: -9.242 bonds (distance) P-C4' energy: -13.621 flat angles C4'-P-C4' energy: -11.416 flat angles P-C4'-P energy: -8.163 tors. eta vs tors. theta energy: -7.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -89.242245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.242245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.242245 (E_RNA) where: Base-Base interactions energy: -38.165 where: short stacking energy: -36.973 Base-Backbone interact. energy: -0.050 local terms energy: -51.026864 where: bonds (distance) C4'-P energy: -12.234 bonds (distance) P-C4' energy: -12.241 flat angles C4'-P-C4' energy: -11.544 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -8.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -84.671707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.671707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.671707 (E_RNA) where: Base-Base interactions energy: -39.895 where: short stacking energy: -24.085 Base-Backbone interact. energy: -0.046 local terms energy: -44.730658 where: bonds (distance) C4'-P energy: -13.673 bonds (distance) P-C4' energy: -14.921 flat angles C4'-P-C4' energy: -9.771 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -1.802 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: 10, replica: 8 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -111.931310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.931310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.931310 (E_RNA) where: Base-Base interactions energy: -68.041 where: short stacking energy: -34.575 Base-Backbone interact. energy: 0.147 local terms energy: -44.037632 where: bonds (distance) C4'-P energy: -12.443 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -12.399 flat angles P-C4'-P energy: -5.802 tors. eta vs tors. theta energy: -4.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -171.415083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.415083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.415083 (E_RNA) where: Base-Base interactions energy: -108.326 where: short stacking energy: -70.995 Base-Backbone interact. energy: -0.254 local terms energy: -62.835235 where: bonds (distance) C4'-P energy: -13.286 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -13.349 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -14.961 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: 3 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -146.449822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.449822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.449822 (E_RNA) where: Base-Base interactions energy: -87.587 where: short stacking energy: -58.457 Base-Backbone interact. energy: 1.289 local terms energy: -60.152324 where: bonds (distance) C4'-P energy: -13.394 bonds (distance) P-C4' energy: -12.200 flat angles C4'-P-C4' energy: -12.334 flat angles P-C4'-P energy: -12.030 tors. eta vs tors. theta energy: -10.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -145.312326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.312326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.312326 (E_RNA) where: Base-Base interactions energy: -90.104 where: short stacking energy: -54.557 Base-Backbone interact. energy: -1.500 local terms energy: -53.709207 where: bonds (distance) C4'-P energy: -10.481 bonds (distance) P-C4' energy: -11.396 flat angles C4'-P-C4' energy: -14.307 flat angles P-C4'-P energy: -7.604 tors. eta vs tors. theta energy: -9.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -141.211637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.211637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.211637 (E_RNA) where: Base-Base interactions energy: -87.724 where: short stacking energy: -53.974 Base-Backbone interact. energy: -0.009 local terms energy: -53.478446 where: bonds (distance) C4'-P energy: -13.224 bonds (distance) P-C4' energy: -9.474 flat angles C4'-P-C4' energy: -12.243 flat angles P-C4'-P energy: -7.242 tors. eta vs tors. theta energy: -11.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -133.794301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.794301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.794301 (E_RNA) where: Base-Base interactions energy: -77.451 where: short stacking energy: -46.551 Base-Backbone interact. energy: 0.735 local terms energy: -57.079188 where: bonds (distance) C4'-P energy: -12.994 bonds (distance) P-C4' energy: -14.069 flat angles C4'-P-C4' energy: -12.309 flat angles P-C4'-P energy: -10.572 tors. eta vs tors. theta energy: -7.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -111.133591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.133591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.133591 (E_RNA) where: Base-Base interactions energy: -66.341 where: short stacking energy: -38.289 Base-Backbone interact. energy: -0.581 local terms energy: -44.212294 where: bonds (distance) C4'-P energy: -11.050 bonds (distance) P-C4' energy: -13.396 flat angles C4'-P-C4' energy: -10.581 flat angles P-C4'-P energy: -2.863 tors. eta vs tors. theta energy: -6.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -85.685128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.685128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.685128 (E_RNA) where: Base-Base interactions energy: -41.441 where: short stacking energy: -34.832 Base-Backbone interact. energy: -0.086 local terms energy: -44.158948 where: bonds (distance) C4'-P energy: -12.177 bonds (distance) P-C4' energy: -13.648 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -8.035 tors. eta vs tors. theta energy: -3.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -88.211329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.211329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.211329 (E_RNA) where: Base-Base interactions energy: -36.385 where: short stacking energy: -30.423 Base-Backbone interact. energy: -0.108 local terms energy: -51.718145 where: bonds (distance) C4'-P energy: -14.421 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -9.656 flat angles P-C4'-P energy: -9.839 tors. eta vs tors. theta energy: -4.517 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: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -84.876214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.876214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.876214 (E_RNA) where: Base-Base interactions energy: -39.950 where: short stacking energy: -36.371 Base-Backbone interact. energy: -1.485 local terms energy: -43.440493 where: bonds (distance) C4'-P energy: -10.944 bonds (distance) P-C4' energy: -11.990 flat angles C4'-P-C4' energy: -8.572 flat angles P-C4'-P energy: -6.922 tors. eta vs tors. theta energy: -5.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -90.125204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.125204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.125204 (E_RNA) where: Base-Base interactions energy: -42.837 where: short stacking energy: -28.336 Base-Backbone interact. energy: -0.430 local terms energy: -46.858079 where: bonds (distance) C4'-P energy: -12.380 bonds (distance) P-C4' energy: -13.247 flat angles C4'-P-C4' energy: -9.563 flat angles P-C4'-P energy: -7.400 tors. eta vs tors. theta energy: -4.268 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: 298 Temperature: 0.900000 Total energy: -159.358884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.358884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.358884 (E_RNA) where: Base-Base interactions energy: -94.747 where: short stacking energy: -59.193 Base-Backbone interact. energy: -0.011 local terms energy: -64.601589 where: bonds (distance) C4'-P energy: -12.228 bonds (distance) P-C4' energy: -12.492 flat angles C4'-P-C4' energy: -14.360 flat angles P-C4'-P energy: -11.025 tors. eta vs tors. theta energy: -14.497 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: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -140.590039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.590039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.590039 (E_RNA) where: Base-Base interactions energy: -78.160 where: short stacking energy: -42.022 Base-Backbone interact. energy: -0.479 local terms energy: -61.951876 where: bonds (distance) C4'-P energy: -12.823 bonds (distance) P-C4' energy: -14.192 flat angles C4'-P-C4' energy: -13.653 flat angles P-C4'-P energy: -10.067 tors. eta vs tors. theta energy: -11.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -142.714030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.714030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.714030 (E_RNA) where: Base-Base interactions energy: -88.596 where: short stacking energy: -50.207 Base-Backbone interact. energy: -0.527 local terms energy: -53.591803 where: bonds (distance) C4'-P energy: -12.107 bonds (distance) P-C4' energy: -15.250 flat angles C4'-P-C4' energy: -8.995 flat angles P-C4'-P energy: -3.065 tors. eta vs tors. theta energy: -14.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -151.954651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.954651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.954651 (E_RNA) where: Base-Base interactions energy: -88.028 where: short stacking energy: -55.159 Base-Backbone interact. energy: -0.013 local terms energy: -63.913378 where: bonds (distance) C4'-P energy: -12.434 bonds (distance) P-C4' energy: -14.660 flat angles C4'-P-C4' energy: -14.453 flat angles P-C4'-P energy: -9.317 tors. eta vs tors. theta energy: -13.049 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: 5, replica: 1 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -134.172731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.172731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.172731 (E_RNA) where: Base-Base interactions energy: -76.963 where: short stacking energy: -46.200 Base-Backbone interact. energy: -0.000 local terms energy: -57.209874 where: bonds (distance) C4'-P energy: -11.514 bonds (distance) P-C4' energy: -13.703 flat angles C4'-P-C4' energy: -11.575 flat angles P-C4'-P energy: -6.584 tors. eta vs tors. theta energy: -13.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -137.232292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.232292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.232292 (E_RNA) where: Base-Base interactions energy: -83.583 where: short stacking energy: -50.637 Base-Backbone interact. energy: -0.283 local terms energy: -53.365892 where: bonds (distance) C4'-P energy: -11.821 bonds (distance) P-C4' energy: -12.824 flat angles C4'-P-C4' energy: -11.885 flat angles P-C4'-P energy: -7.985 tors. eta vs tors. theta energy: -8.851 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: 298 Temperature: 1.200000 Total energy: -77.985648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.985648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.985648 (E_RNA) where: Base-Base interactions energy: -28.485 where: short stacking energy: -28.485 Base-Backbone interact. energy: 1.610 local terms energy: -51.110660 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -8.294 flat angles P-C4'-P energy: -9.461 tors. eta vs tors. theta energy: -5.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -93.145135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.145135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.145135 (E_RNA) where: Base-Base interactions energy: -44.569 where: short stacking energy: -44.569 Base-Backbone interact. energy: -0.191 local terms energy: -48.385700 where: bonds (distance) C4'-P energy: -10.969 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -10.825 flat angles P-C4'-P energy: -8.702 tors. eta vs tors. theta energy: -5.750 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: 8 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -89.391194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.391194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.391194 (E_RNA) where: Base-Base interactions energy: -41.897 where: short stacking energy: -37.608 Base-Backbone interact. energy: -0.087 local terms energy: -47.407518 where: bonds (distance) C4'-P energy: -6.368 bonds (distance) P-C4' energy: -13.283 flat angles C4'-P-C4' energy: -9.937 flat angles P-C4'-P energy: -9.834 tors. eta vs tors. theta energy: -7.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -71.834359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.834359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.834359 (E_RNA) where: Base-Base interactions energy: -23.007 where: short stacking energy: -14.568 Base-Backbone interact. energy: -0.371 local terms energy: -48.456302 where: bonds (distance) C4'-P energy: -14.101 bonds (distance) P-C4' energy: -11.078 flat angles C4'-P-C4' energy: -15.354 flat angles P-C4'-P energy: -6.757 tors. eta vs tors. theta energy: -1.167 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: 299 Temperature: 0.900000 Total energy: -165.474508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.474508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.474508 (E_RNA) where: Base-Base interactions energy: -97.565 where: short stacking energy: -60.579 Base-Backbone interact. energy: -0.132 local terms energy: -67.776822 where: bonds (distance) C4'-P energy: -13.195 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -14.188 flat angles P-C4'-P energy: -10.185 tors. eta vs tors. theta energy: -14.214 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: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -134.459783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.459783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.459783 (E_RNA) where: Base-Base interactions energy: -78.333 where: short stacking energy: -50.300 Base-Backbone interact. energy: -0.003 local terms energy: -56.123733 where: bonds (distance) C4'-P energy: -11.495 bonds (distance) P-C4' energy: -13.807 flat angles C4'-P-C4' energy: -12.173 flat angles P-C4'-P energy: -8.964 tors. eta vs tors. theta energy: -9.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -144.464158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.464158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.464158 (E_RNA) where: Base-Base interactions energy: -84.028 where: short stacking energy: -50.345 Base-Backbone interact. energy: -0.001 local terms energy: -60.435593 where: bonds (distance) C4'-P energy: -11.672 bonds (distance) P-C4' energy: -14.724 flat angles C4'-P-C4' energy: -13.323 flat angles P-C4'-P energy: -8.321 tors. eta vs tors. theta energy: -12.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -131.898568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.898568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.898568 (E_RNA) where: Base-Base interactions energy: -70.618 where: short stacking energy: -40.096 Base-Backbone interact. energy: -0.180 local terms energy: -61.101502 where: bonds (distance) C4'-P energy: -13.821 bonds (distance) P-C4' energy: -12.934 flat angles C4'-P-C4' energy: -15.070 flat angles P-C4'-P energy: -8.256 tors. eta vs tors. theta energy: -11.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -132.468261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.468261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.468261 (E_RNA) where: Base-Base interactions energy: -87.800 where: short stacking energy: -49.928 Base-Backbone interact. energy: -0.089 local terms energy: -44.579195 where: bonds (distance) C4'-P energy: -8.486 bonds (distance) P-C4' energy: -11.205 flat angles C4'-P-C4' energy: -14.287 flat angles P-C4'-P energy: -5.552 tors. eta vs tors. theta energy: -5.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -112.677826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.677826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.677826 (E_RNA) where: Base-Base interactions energy: -62.881 where: short stacking energy: -37.843 Base-Backbone interact. energy: -0.006 local terms energy: -49.790676 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -9.938 flat angles P-C4'-P energy: -5.088 tors. eta vs tors. theta energy: -8.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -86.104214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.104214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.104214 (E_RNA) where: Base-Base interactions energy: -37.326 where: short stacking energy: -34.252 Base-Backbone interact. energy: -0.121 local terms energy: -48.657355 where: bonds (distance) C4'-P energy: -9.441 bonds (distance) P-C4' energy: -15.000 flat angles C4'-P-C4' energy: -10.128 flat angles P-C4'-P energy: -8.453 tors. eta vs tors. theta energy: -5.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -92.354563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.354563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.354563 (E_RNA) where: Base-Base interactions energy: -41.053 where: short stacking energy: -40.296 Base-Backbone interact. energy: -0.210 local terms energy: -51.091008 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -14.302 flat angles C4'-P-C4' energy: -8.183 flat angles P-C4'-P energy: -6.176 tors. eta vs tors. theta energy: -9.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -78.002431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.002431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.002431 (E_RNA) where: Base-Base interactions energy: -35.282 where: short stacking energy: -18.697 Base-Backbone interact. energy: 0.702 local terms energy: -43.423139 where: bonds (distance) C4'-P energy: -14.380 bonds (distance) P-C4' energy: -12.220 flat angles C4'-P-C4' energy: -11.629 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -77.250809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.250809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.250809 (E_RNA) where: Base-Base interactions energy: -31.236 where: short stacking energy: -31.236 Base-Backbone interact. energy: -0.100 local terms energy: -45.915232 where: bonds (distance) C4'-P energy: -11.712 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -11.624 flat angles P-C4'-P energy: -7.132 tors. eta vs tors. theta energy: -0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -148.359708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.359708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.359708 (E_RNA) where: Base-Base interactions energy: -87.844 where: short stacking energy: -55.885 Base-Backbone interact. energy: -0.218 local terms energy: -60.297388 where: bonds (distance) C4'-P energy: -13.192 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -11.667 tors. eta vs tors. theta energy: -7.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -165.125103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.125103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.125103 (E_RNA) where: Base-Base interactions energy: -103.945 where: short stacking energy: -61.966 Base-Backbone interact. energy: -0.007 local terms energy: -61.173738 where: bonds (distance) C4'-P energy: -12.368 bonds (distance) P-C4' energy: -11.468 flat angles C4'-P-C4' energy: -12.728 flat angles P-C4'-P energy: -10.243 tors. eta vs tors. theta energy: -14.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -153.240032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.240032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.240032 (E_RNA) where: Base-Base interactions energy: -87.183 where: short stacking energy: -61.176 Base-Backbone interact. energy: -0.005 local terms energy: -66.052642 where: bonds (distance) C4'-P energy: -11.594 bonds (distance) P-C4' energy: -13.956 flat angles C4'-P-C4' energy: -15.389 flat angles P-C4'-P energy: -8.364 tors. eta vs tors. theta energy: -16.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -129.080949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.080949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.080949 (E_RNA) where: Base-Base interactions energy: -75.737 where: short stacking energy: -44.472 Base-Backbone interact. energy: -0.631 local terms energy: -52.713317 where: bonds (distance) C4'-P energy: -13.494 bonds (distance) P-C4' energy: -11.729 flat angles C4'-P-C4' energy: -11.380 flat angles P-C4'-P energy: -9.899 tors. eta vs tors. theta energy: -6.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -131.142456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.142456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.142456 (E_RNA) where: Base-Base interactions energy: -77.939 where: short stacking energy: -49.089 Base-Backbone interact. energy: -0.003 local terms energy: -53.200622 where: bonds (distance) C4'-P energy: -11.477 bonds (distance) P-C4' energy: -10.126 flat angles C4'-P-C4' energy: -13.640 flat angles P-C4'-P energy: -6.732 tors. eta vs tors. theta energy: -11.225 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: 2 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -133.197092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.197092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.197092 (E_RNA) where: Base-Base interactions energy: -81.929 where: short stacking energy: -50.210 Base-Backbone interact. energy: -0.102 local terms energy: -51.165782 where: bonds (distance) C4'-P energy: -12.291 bonds (distance) P-C4' energy: -11.749 flat angles C4'-P-C4' energy: -10.763 flat angles P-C4'-P energy: -7.267 tors. eta vs tors. theta energy: -9.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -90.829561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.829561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.829561 (E_RNA) where: Base-Base interactions energy: -35.043 where: short stacking energy: -32.996 Base-Backbone interact. energy: -0.024 local terms energy: -55.762850 where: bonds (distance) C4'-P energy: -14.508 bonds (distance) P-C4' energy: -11.536 flat angles C4'-P-C4' energy: -12.017 flat angles P-C4'-P energy: -9.964 tors. eta vs tors. theta energy: -7.737 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: 300 Temperature: 1.250000 Total energy: -81.646962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.646962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.646962 (E_RNA) where: Base-Base interactions energy: -36.538 where: short stacking energy: -35.080 Base-Backbone interact. energy: -0.001 local terms energy: -45.108086 where: bonds (distance) C4'-P energy: -8.104 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -7.421 flat angles P-C4'-P energy: -6.259 tors. eta vs tors. theta energy: -8.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -72.259682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.259682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.259682 (E_RNA) where: Base-Base interactions energy: -30.498 where: short stacking energy: -27.011 Base-Backbone interact. energy: -0.000 local terms energy: -41.761766 where: bonds (distance) C4'-P energy: -6.647 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -12.381 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -3.553 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: 4 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -82.957985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.957985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.957985 (E_RNA) where: Base-Base interactions energy: -38.129 where: short stacking energy: -38.129 Base-Backbone interact. energy: -0.116 local terms energy: -44.713040 where: bonds (distance) C4'-P energy: -12.008 bonds (distance) P-C4' energy: -11.116 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -8.023 tors. eta vs tors. theta energy: -5.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -152.209970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.209970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.209970 (E_RNA) where: Base-Base interactions energy: -91.573 where: short stacking energy: -52.130 Base-Backbone interact. energy: 0.362 local terms energy: -60.999682 where: bonds (distance) C4'-P energy: -10.997 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -12.002 flat angles P-C4'-P energy: -10.377 tors. eta vs tors. theta energy: -11.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -142.750087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.750087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.750087 (E_RNA) where: Base-Base interactions energy: -89.863 where: short stacking energy: -55.103 Base-Backbone interact. energy: -0.042 local terms energy: -52.845701 where: bonds (distance) C4'-P energy: -10.008 bonds (distance) P-C4' energy: -12.287 flat angles C4'-P-C4' energy: -10.730 flat angles P-C4'-P energy: -9.844 tors. eta vs tors. theta energy: -9.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -150.723232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.723232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.723232 (E_RNA) where: Base-Base interactions energy: -86.419 where: short stacking energy: -54.615 Base-Backbone interact. energy: -0.002 local terms energy: -64.302266 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -15.322 flat angles C4'-P-C4' energy: -12.058 flat angles P-C4'-P energy: -7.466 tors. eta vs tors. theta energy: -15.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -148.442434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.442434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.442434 (E_RNA) where: Base-Base interactions energy: -89.945 where: short stacking energy: -56.182 Base-Backbone interact. energy: -0.437 local terms energy: -58.060302 where: bonds (distance) C4'-P energy: -10.514 bonds (distance) P-C4' energy: -10.002 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -9.570 tors. eta vs tors. theta energy: -14.286 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: 301 Temperature: 1.100000 Total energy: -139.141985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.141985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.141985 (E_RNA) where: Base-Base interactions energy: -86.070 where: short stacking energy: -52.228 Base-Backbone interact. energy: -0.262 local terms energy: -52.810028 where: bonds (distance) C4'-P energy: -12.381 bonds (distance) P-C4' energy: -10.185 flat angles C4'-P-C4' energy: -13.795 flat angles P-C4'-P energy: -1.859 tors. eta vs tors. theta energy: -14.590 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: 2 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -112.942283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.942283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.942283 (E_RNA) where: Base-Base interactions energy: -59.367 where: short stacking energy: -31.541 Base-Backbone interact. energy: -0.217 local terms energy: -53.358561 where: bonds (distance) C4'-P energy: -14.644 bonds (distance) P-C4' energy: -13.544 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -11.050 tors. eta vs tors. theta energy: -0.051 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: 8 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -90.568498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.568498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.568498 (E_RNA) where: Base-Base interactions energy: -39.471 where: short stacking energy: -34.718 Base-Backbone interact. energy: -0.441 local terms energy: -50.656965 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -14.632 flat angles C4'-P-C4' energy: -8.321 flat angles P-C4'-P energy: -7.582 tors. eta vs tors. theta energy: -6.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -85.929405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.929405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.929405 (E_RNA) where: Base-Base interactions energy: -35.088 where: short stacking energy: -35.088 Base-Backbone interact. energy: -0.012 local terms energy: -50.829293 where: bonds (distance) C4'-P energy: -13.176 bonds (distance) P-C4' energy: -11.889 flat angles C4'-P-C4' energy: -8.903 flat angles P-C4'-P energy: -9.778 tors. eta vs tors. theta energy: -7.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -80.511702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.511702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.511702 (E_RNA) where: Base-Base interactions energy: -44.425 where: short stacking energy: -36.818 Base-Backbone interact. energy: -0.143 local terms energy: -35.943036 where: bonds (distance) C4'-P energy: -6.164 bonds (distance) P-C4' energy: -8.737 flat angles C4'-P-C4' energy: -8.766 flat angles P-C4'-P energy: -12.110 tors. eta vs tors. theta energy: -0.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -78.958212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.958212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.958212 (E_RNA) where: Base-Base interactions energy: -33.537 where: short stacking energy: -33.537 Base-Backbone interact. energy: -0.313 local terms energy: -45.108729 where: bonds (distance) C4'-P energy: -14.362 bonds (distance) P-C4' energy: -13.144 flat angles C4'-P-C4' energy: -10.207 flat angles P-C4'-P energy: -6.838 tors. eta vs tors. theta energy: -0.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -156.064555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.064555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.064555 (E_RNA) where: Base-Base interactions energy: -93.771 where: short stacking energy: -66.668 Base-Backbone interact. energy: -0.000 local terms energy: -62.292943 where: bonds (distance) C4'-P energy: -13.234 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -11.163 flat angles P-C4'-P energy: -8.410 tors. eta vs tors. theta energy: -13.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -140.646856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.646856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.646856 (E_RNA) where: Base-Base interactions energy: -79.169 where: short stacking energy: -47.259 Base-Backbone interact. energy: -1.689 local terms energy: -59.788861 where: bonds (distance) C4'-P energy: -13.474 bonds (distance) P-C4' energy: -14.647 flat angles C4'-P-C4' energy: -12.877 flat angles P-C4'-P energy: -10.899 tors. eta vs tors. theta energy: -7.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -151.544034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.544034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.544034 (E_RNA) where: Base-Base interactions energy: -97.300 where: short stacking energy: -62.481 Base-Backbone interact. energy: -0.006 local terms energy: -54.238944 where: bonds (distance) C4'-P energy: -10.037 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -14.598 flat angles P-C4'-P energy: -5.129 tors. eta vs tors. theta energy: -11.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -143.764447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.764447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.764447 (E_RNA) where: Base-Base interactions energy: -89.627 where: short stacking energy: -51.145 Base-Backbone interact. energy: -0.133 local terms energy: -54.003601 where: bonds (distance) C4'-P energy: -12.450 bonds (distance) P-C4' energy: -15.480 flat angles C4'-P-C4' energy: -13.888 flat angles P-C4'-P energy: -2.278 tors. eta vs tors. theta energy: -9.908 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: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -128.743175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.743175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.743175 (E_RNA) where: Base-Base interactions energy: -71.784 where: short stacking energy: -43.308 Base-Backbone interact. energy: -0.591 local terms energy: -56.368668 where: bonds (distance) C4'-P energy: -10.935 bonds (distance) P-C4' energy: -13.915 flat angles C4'-P-C4' energy: -15.426 flat angles P-C4'-P energy: -7.429 tors. eta vs tors. theta energy: -8.664 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: 1 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -125.245091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.245091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.245091 (E_RNA) where: Base-Base interactions energy: -76.483 where: short stacking energy: -40.448 Base-Backbone interact. energy: -0.068 local terms energy: -48.693741 where: bonds (distance) C4'-P energy: -14.682 bonds (distance) P-C4' energy: -11.066 flat angles C4'-P-C4' energy: -8.045 flat angles P-C4'-P energy: -7.505 tors. eta vs tors. theta energy: -7.396 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: 9 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -89.346465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.346465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.346465 (E_RNA) where: Base-Base interactions energy: -38.838 where: short stacking energy: -38.403 Base-Backbone interact. energy: -0.459 local terms energy: -50.049024 where: bonds (distance) C4'-P energy: -13.746 bonds (distance) P-C4' energy: -11.335 flat angles C4'-P-C4' energy: -11.806 flat angles P-C4'-P energy: -6.175 tors. eta vs tors. theta energy: -6.987 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: 8, replica: 8 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -96.710247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.710247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.710247 (E_RNA) where: Base-Base interactions energy: -47.224 where: short stacking energy: -46.229 Base-Backbone interact. energy: -0.326 local terms energy: -49.159920 where: bonds (distance) C4'-P energy: -9.813 bonds (distance) P-C4' energy: -12.206 flat angles C4'-P-C4' energy: -12.028 flat angles P-C4'-P energy: 0.419 tors. eta vs tors. theta energy: -15.532 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: 4 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -86.899686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.899686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.899686 (E_RNA) where: Base-Base interactions energy: -30.223 where: short stacking energy: -24.757 Base-Backbone interact. energy: -0.326 local terms energy: -56.351158 where: bonds (distance) C4'-P energy: -12.459 bonds (distance) P-C4' energy: -14.457 flat angles C4'-P-C4' energy: -13.353 flat angles P-C4'-P energy: -8.136 tors. eta vs tors. theta energy: -7.947 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: 10, replica: 5 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -75.760571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.760571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.760571 (E_RNA) where: Base-Base interactions energy: -37.520 where: short stacking energy: -23.697 Base-Backbone interact. energy: -0.036 local terms energy: -38.204593 where: bonds (distance) C4'-P energy: -11.146 bonds (distance) P-C4' energy: -11.427 flat angles C4'-P-C4' energy: -10.159 flat angles P-C4'-P energy: -7.189 tors. eta vs tors. theta energy: 1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -147.053981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.053981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.053981 (E_RNA) where: Base-Base interactions energy: -84.173 where: short stacking energy: -59.639 Base-Backbone interact. energy: -0.055 local terms energy: -62.826498 where: bonds (distance) C4'-P energy: -14.840 bonds (distance) P-C4' energy: -12.622 flat angles C4'-P-C4' energy: -11.337 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: -15.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -156.718628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.718628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.718628 (E_RNA) where: Base-Base interactions energy: -93.521 where: short stacking energy: -57.916 Base-Backbone interact. energy: -0.002 local terms energy: -63.195944 where: bonds (distance) C4'-P energy: -13.526 bonds (distance) P-C4' energy: -13.877 flat angles C4'-P-C4' energy: -14.563 flat angles P-C4'-P energy: -7.417 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: 3, replica: 6 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -138.274509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.274509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.274509 (E_RNA) where: Base-Base interactions energy: -86.175 where: short stacking energy: -54.551 Base-Backbone interact. energy: -0.005 local terms energy: -52.094134 where: bonds (distance) C4'-P energy: -9.987 bonds (distance) P-C4' energy: -11.141 flat angles C4'-P-C4' energy: -12.122 flat angles P-C4'-P energy: -8.391 tors. eta vs tors. theta energy: -10.453 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: 10 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -134.614244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.614244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.614244 (E_RNA) where: Base-Base interactions energy: -76.242 where: short stacking energy: -41.905 Base-Backbone interact. energy: -0.368 local terms energy: -58.004102 where: bonds (distance) C4'-P energy: -14.343 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -13.534 flat angles P-C4'-P energy: -6.974 tors. eta vs tors. theta energy: -9.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -136.886640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.886640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.886640 (E_RNA) where: Base-Base interactions energy: -81.279 where: short stacking energy: -49.966 Base-Backbone interact. energy: -0.209 local terms energy: -55.398403 where: bonds (distance) C4'-P energy: -11.808 bonds (distance) P-C4' energy: -15.278 flat angles C4'-P-C4' energy: -10.956 flat angles P-C4'-P energy: -8.982 tors. eta vs tors. theta energy: -8.375 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: 9 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -98.371050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.371050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.371050 (E_RNA) where: Base-Base interactions energy: -48.541 where: short stacking energy: -48.541 Base-Backbone interact. energy: -0.002 local terms energy: -49.827857 where: bonds (distance) C4'-P energy: -9.495 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -10.548 flat angles P-C4'-P energy: -6.392 tors. eta vs tors. theta energy: -9.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -122.172361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.172361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.172361 (E_RNA) where: Base-Base interactions energy: -84.778 where: short stacking energy: -50.760 Base-Backbone interact. energy: -1.413 local terms energy: -35.981042 where: bonds (distance) C4'-P energy: -9.134 bonds (distance) P-C4' energy: -7.682 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -8.341 tors. eta vs tors. theta energy: -6.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -100.740180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.740180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.740180 (E_RNA) where: Base-Base interactions energy: -62.455 where: short stacking energy: -38.201 Base-Backbone interact. energy: 3.269 local terms energy: -41.554032 where: bonds (distance) C4'-P energy: -9.947 bonds (distance) P-C4' energy: -11.148 flat angles C4'-P-C4' energy: -8.134 flat angles P-C4'-P energy: -9.452 tors. eta vs tors. theta energy: -2.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -81.225415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.225415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.225415 (E_RNA) where: Base-Base interactions energy: -30.263 where: short stacking energy: -30.263 Base-Backbone interact. energy: -0.090 local terms energy: -50.872914 where: bonds (distance) C4'-P energy: -11.130 bonds (distance) P-C4' energy: -12.167 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -9.654 tors. eta vs tors. theta energy: -4.693 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: 5 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -74.131754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.131754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.131754 (E_RNA) where: Base-Base interactions energy: -26.673 where: short stacking energy: -26.673 Base-Backbone interact. energy: -0.347 local terms energy: -47.111570 where: bonds (distance) C4'-P energy: -13.911 bonds (distance) P-C4' energy: -11.976 flat angles C4'-P-C4' energy: -11.551 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -3.969 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: 7 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -163.097406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.097406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.097406 (E_RNA) where: Base-Base interactions energy: -100.597 where: short stacking energy: -65.665 Base-Backbone interact. energy: -0.010 local terms energy: -62.489978 where: bonds (distance) C4'-P energy: -11.288 bonds (distance) P-C4' energy: -11.330 flat angles C4'-P-C4' energy: -15.495 flat angles P-C4'-P energy: -7.568 tors. eta vs tors. theta energy: -16.809 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: 3 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -140.275149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.275149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.275149 (E_RNA) where: Base-Base interactions energy: -80.655 where: short stacking energy: -50.231 Base-Backbone interact. energy: -0.007 local terms energy: -59.613569 where: bonds (distance) C4'-P energy: -13.788 bonds (distance) P-C4' energy: -12.272 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -5.966 tors. eta vs tors. theta energy: -13.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -147.361783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.361783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.361783 (E_RNA) where: Base-Base interactions energy: -92.483 where: short stacking energy: -56.180 Base-Backbone interact. energy: -0.723 local terms energy: -54.156167 where: bonds (distance) C4'-P energy: -11.191 bonds (distance) P-C4' energy: -11.066 flat angles C4'-P-C4' energy: -8.666 flat angles P-C4'-P energy: -8.834 tors. eta vs tors. theta energy: -14.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -142.516604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.516604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.516604 (E_RNA) where: Base-Base interactions energy: -92.225 where: short stacking energy: -50.282 Base-Backbone interact. energy: -0.071 local terms energy: -50.220624 where: bonds (distance) C4'-P energy: -12.071 bonds (distance) P-C4' energy: -6.524 flat angles C4'-P-C4' energy: -11.638 flat angles P-C4'-P energy: -11.238 tors. eta vs tors. theta energy: -8.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -110.063621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.063621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.063621 (E_RNA) where: Base-Base interactions energy: -46.668 where: short stacking energy: -46.401 Base-Backbone interact. energy: -0.004 local terms energy: -63.391007 where: bonds (distance) C4'-P energy: -14.815 bonds (distance) P-C4' energy: -11.359 flat angles C4'-P-C4' energy: -14.551 flat angles P-C4'-P energy: -9.435 tors. eta vs tors. theta energy: -13.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -129.791431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.791431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.791431 (E_RNA) where: Base-Base interactions energy: -75.273 where: short stacking energy: -47.853 Base-Backbone interact. energy: -0.250 local terms energy: -54.268620 where: bonds (distance) C4'-P energy: -15.303 bonds (distance) P-C4' energy: -13.885 flat angles C4'-P-C4' energy: -11.829 flat angles P-C4'-P energy: -6.404 tors. eta vs tors. theta energy: -6.847 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: 4 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -93.981210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.981210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.981210 (E_RNA) where: Base-Base interactions energy: -41.215 where: short stacking energy: -41.126 Base-Backbone interact. energy: -0.090 local terms energy: -52.676276 where: bonds (distance) C4'-P energy: -15.559 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -10.278 flat angles P-C4'-P energy: -6.313 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -107.990595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.990595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.990595 (E_RNA) where: Base-Base interactions energy: -68.471 where: short stacking energy: -28.343 Base-Backbone interact. energy: -0.628 local terms energy: -38.891304 where: bonds (distance) C4'-P energy: -11.060 bonds (distance) P-C4' energy: -15.726 flat angles C4'-P-C4' energy: -1.832 flat angles P-C4'-P energy: -8.326 tors. eta vs tors. theta energy: -1.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -83.535893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.535893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.535893 (E_RNA) where: Base-Base interactions energy: -30.757 where: short stacking energy: -27.967 Base-Backbone interact. energy: -0.017 local terms energy: -52.762087 where: bonds (distance) C4'-P energy: -8.492 bonds (distance) P-C4' energy: -14.955 flat angles C4'-P-C4' energy: -14.624 flat angles P-C4'-P energy: -8.900 tors. eta vs tors. theta energy: -5.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -76.787522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.787522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.787522 (E_RNA) where: Base-Base interactions energy: -27.537 where: short stacking energy: -27.537 Base-Backbone interact. energy: -0.100 local terms energy: -49.150941 where: bonds (distance) C4'-P energy: -12.541 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -10.486 flat angles P-C4'-P energy: -8.063 tors. eta vs tors. theta energy: -5.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -160.133262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.133262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.133262 (E_RNA) where: Base-Base interactions energy: -100.610 where: short stacking energy: -62.995 Base-Backbone interact. energy: -1.161 local terms energy: -58.362691 where: bonds (distance) C4'-P energy: -9.234 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -12.934 flat angles P-C4'-P energy: -7.125 tors. eta vs tors. theta energy: -14.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -166.058272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.058272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.058272 (E_RNA) where: Base-Base interactions energy: -99.783 where: short stacking energy: -63.671 Base-Backbone interact. energy: -0.637 local terms energy: -65.638590 where: bonds (distance) C4'-P energy: -12.683 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -11.920 flat angles P-C4'-P energy: -9.963 tors. eta vs tors. theta energy: -18.045 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: 3 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -147.784817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.784817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.784817 (E_RNA) where: Base-Base interactions energy: -81.715 where: short stacking energy: -53.597 Base-Backbone interact. energy: -0.006 local terms energy: -66.064183 where: bonds (distance) C4'-P energy: -14.628 bonds (distance) P-C4' energy: -14.560 flat angles C4'-P-C4' energy: -14.138 flat angles P-C4'-P energy: -10.105 tors. eta vs tors. theta energy: -12.633 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: 6 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -144.533674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.533674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.533674 (E_RNA) where: Base-Base interactions energy: -82.395 where: short stacking energy: -48.027 Base-Backbone interact. energy: -0.497 local terms energy: -61.641283 where: bonds (distance) C4'-P energy: -9.888 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -15.222 flat angles P-C4'-P energy: -11.553 tors. eta vs tors. theta energy: -11.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -99.161357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.161357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.161357 (E_RNA) where: Base-Base interactions energy: -43.655 where: short stacking energy: -40.307 Base-Backbone interact. energy: -0.959 local terms energy: -54.547840 where: bonds (distance) C4'-P energy: -10.687 bonds (distance) P-C4' energy: -12.564 flat angles C4'-P-C4' energy: -14.728 flat angles P-C4'-P energy: -9.626 tors. eta vs tors. theta energy: -6.943 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: 6, replica: 2 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -130.182662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.182662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.182662 (E_RNA) where: Base-Base interactions energy: -71.299 where: short stacking energy: -39.785 Base-Backbone interact. energy: -0.889 local terms energy: -57.994979 where: bonds (distance) C4'-P energy: -14.549 bonds (distance) P-C4' energy: -11.753 flat angles C4'-P-C4' energy: -13.925 flat angles P-C4'-P energy: -9.044 tors. eta vs tors. theta energy: -8.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -88.948152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.948152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.948152 (E_RNA) where: Base-Base interactions energy: -42.135 where: short stacking energy: -37.946 Base-Backbone interact. energy: -0.198 local terms energy: -46.615337 where: bonds (distance) C4'-P energy: -12.923 bonds (distance) P-C4' energy: -10.691 flat angles C4'-P-C4' energy: -7.982 flat angles P-C4'-P energy: -9.574 tors. eta vs tors. theta energy: -5.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -110.322031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.322031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.322031 (E_RNA) where: Base-Base interactions energy: -60.889 where: short stacking energy: -38.421 Base-Backbone interact. energy: -0.034 local terms energy: -49.399083 where: bonds (distance) C4'-P energy: -12.558 bonds (distance) P-C4' energy: -7.878 flat angles C4'-P-C4' energy: -11.605 flat angles P-C4'-P energy: -9.732 tors. eta vs tors. theta energy: -7.625 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: 5 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -78.794828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.794828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.794828 (E_RNA) where: Base-Base interactions energy: -32.471 where: short stacking energy: -25.577 Base-Backbone interact. energy: -0.003 local terms energy: -46.320939 where: bonds (distance) C4'-P energy: -12.086 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -7.929 flat angles P-C4'-P energy: -8.130 tors. eta vs tors. theta energy: -3.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -70.810594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.810594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.810594 (E_RNA) where: Base-Base interactions energy: -31.539 where: short stacking energy: -31.539 Base-Backbone interact. energy: -0.151 local terms energy: -39.120209 where: bonds (distance) C4'-P energy: -11.010 bonds (distance) P-C4' energy: -12.335 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -5.825 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -160.113579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.113579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.113579 (E_RNA) where: Base-Base interactions energy: -92.659 where: short stacking energy: -59.691 Base-Backbone interact. energy: 0.470 local terms energy: -67.924602 where: bonds (distance) C4'-P energy: -13.141 bonds (distance) P-C4' energy: -15.025 flat angles C4'-P-C4' energy: -14.326 flat angles P-C4'-P energy: -10.245 tors. eta vs tors. theta energy: -15.188 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: 2, replica: 7 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -152.841144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.841144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.841144 (E_RNA) where: Base-Base interactions energy: -94.841 where: short stacking energy: -69.326 Base-Backbone interact. energy: -0.220 local terms energy: -57.779774 where: bonds (distance) C4'-P energy: -12.483 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -13.051 flat angles P-C4'-P energy: -9.180 tors. eta vs tors. theta energy: -14.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -140.875277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.875277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.875277 (E_RNA) where: Base-Base interactions energy: -86.829 where: short stacking energy: -54.734 Base-Backbone interact. energy: -0.010 local terms energy: -54.036362 where: bonds (distance) C4'-P energy: -9.454 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -11.096 flat angles P-C4'-P energy: -6.764 tors. eta vs tors. theta energy: -11.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -144.220219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.220219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.220219 (E_RNA) where: Base-Base interactions energy: -89.443 where: short stacking energy: -62.078 Base-Backbone interact. energy: -0.006 local terms energy: -54.770985 where: bonds (distance) C4'-P energy: -14.131 bonds (distance) P-C4' energy: -11.005 flat angles C4'-P-C4' energy: -9.571 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -13.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -118.805493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.805493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.805493 (E_RNA) where: Base-Base interactions energy: -61.600 where: short stacking energy: -31.179 Base-Backbone interact. energy: -0.320 local terms energy: -56.886105 where: bonds (distance) C4'-P energy: -11.254 bonds (distance) P-C4' energy: -13.385 flat angles C4'-P-C4' energy: -13.333 flat angles P-C4'-P energy: -9.792 tors. eta vs tors. theta energy: -9.122 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: 6, replica: 9 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -93.284460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.284460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.284460 (E_RNA) where: Base-Base interactions energy: -40.537 where: short stacking energy: -40.537 Base-Backbone interact. energy: -0.086 local terms energy: -52.661649 where: bonds (distance) C4'-P energy: -13.383 bonds (distance) P-C4' energy: -14.019 flat angles C4'-P-C4' energy: -14.082 flat angles P-C4'-P energy: -4.554 tors. eta vs tors. theta energy: -6.624 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: 1 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -115.808243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.808243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.808243 (E_RNA) where: Base-Base interactions energy: -61.519 where: short stacking energy: -32.805 Base-Backbone interact. energy: -0.069 local terms energy: -54.220515 where: bonds (distance) C4'-P energy: -11.672 bonds (distance) P-C4' energy: -14.762 flat angles C4'-P-C4' energy: -9.893 flat angles P-C4'-P energy: -9.951 tors. eta vs tors. theta energy: -7.943 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: 4 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -81.050191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.050191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.050191 (E_RNA) where: Base-Base interactions energy: -35.700 where: short stacking energy: -35.700 Base-Backbone interact. energy: -0.111 local terms energy: -45.238932 where: bonds (distance) C4'-P energy: -8.542 bonds (distance) P-C4' energy: -9.523 flat angles C4'-P-C4' energy: -12.924 flat angles P-C4'-P energy: -8.583 tors. eta vs tors. theta energy: -5.666 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: 8 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -75.732777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.732777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.732777 (E_RNA) where: Base-Base interactions energy: -26.568 where: short stacking energy: -26.568 Base-Backbone interact. energy: -0.093 local terms energy: -49.071918 where: bonds (distance) C4'-P energy: -8.219 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -11.766 flat angles P-C4'-P energy: -8.559 tors. eta vs tors. theta energy: -7.708 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: 5 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -77.857687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.857687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.857687 (E_RNA) where: Base-Base interactions energy: -30.326 where: short stacking energy: -30.654 Base-Backbone interact. energy: 0.173 local terms energy: -47.704061 where: bonds (distance) C4'-P energy: -12.923 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -10.627 flat angles P-C4'-P energy: -5.914 tors. eta vs tors. theta energy: -4.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -163.112335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.112335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.112335 (E_RNA) where: Base-Base interactions energy: -99.388 where: short stacking energy: -60.597 Base-Backbone interact. energy: -0.657 local terms energy: -63.066783 where: bonds (distance) C4'-P energy: -10.911 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -13.145 flat angles P-C4'-P energy: -10.245 tors. eta vs tors. theta energy: -13.923 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: 3 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -153.307537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.307537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.307537 (E_RNA) where: Base-Base interactions energy: -93.663 where: short stacking energy: -60.650 Base-Backbone interact. energy: -0.000 local terms energy: -59.643906 where: bonds (distance) C4'-P energy: -10.506 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -12.988 flat angles P-C4'-P energy: -9.293 tors. eta vs tors. theta energy: -12.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -143.784721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.784721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.784721 (E_RNA) where: Base-Base interactions energy: -87.583 where: short stacking energy: -53.268 Base-Backbone interact. energy: 0.179 local terms energy: -56.380230 where: bonds (distance) C4'-P energy: -13.846 bonds (distance) P-C4' energy: -12.650 flat angles C4'-P-C4' energy: -12.039 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: -11.360 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: 6 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -143.695445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.695445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.695445 (E_RNA) where: Base-Base interactions energy: -90.628 where: short stacking energy: -63.991 Base-Backbone interact. energy: -0.009 local terms energy: -53.058446 where: bonds (distance) C4'-P energy: -7.752 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -11.342 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -14.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -116.866354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.866354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.866354 (E_RNA) where: Base-Base interactions energy: -68.481 where: short stacking energy: -42.119 Base-Backbone interact. energy: -0.387 local terms energy: -47.998002 where: bonds (distance) C4'-P energy: -12.806 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -9.441 flat angles P-C4'-P energy: -7.358 tors. eta vs tors. theta energy: -3.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -107.831892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.831892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.831892 (E_RNA) where: Base-Base interactions energy: -61.860 where: short stacking energy: -32.841 Base-Backbone interact. energy: 0.405 local terms energy: -46.376822 where: bonds (distance) C4'-P energy: -12.415 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -8.547 flat angles P-C4'-P energy: -8.798 tors. eta vs tors. theta energy: -4.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -87.888841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.888841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.888841 (E_RNA) where: Base-Base interactions energy: -35.932 where: short stacking energy: -30.705 Base-Backbone interact. energy: -0.335 local terms energy: -51.622099 where: bonds (distance) C4'-P energy: -12.348 bonds (distance) P-C4' energy: -13.257 flat angles C4'-P-C4' energy: -12.531 flat angles P-C4'-P energy: -12.089 tors. eta vs tors. theta energy: -1.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -86.742028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.742028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.742028 (E_RNA) where: Base-Base interactions energy: -52.448 where: short stacking energy: -28.287 Base-Backbone interact. energy: -0.032 local terms energy: -34.261809 where: bonds (distance) C4'-P energy: -14.140 bonds (distance) P-C4' energy: -11.081 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -5.236 tors. eta vs tors. theta energy: 2.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -84.380597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.380597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.380597 (E_RNA) where: Base-Base interactions energy: -40.661 where: short stacking energy: -35.322 Base-Backbone interact. energy: 0.252 local terms energy: -43.971086 where: bonds (distance) C4'-P energy: -13.598 bonds (distance) P-C4' energy: -12.978 flat angles C4'-P-C4' energy: -6.940 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -2.818 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: 5 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -70.138708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.138708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.138708 (E_RNA) where: Base-Base interactions energy: -33.932 where: short stacking energy: -31.827 Base-Backbone interact. energy: 1.818 local terms energy: -38.024953 where: bonds (distance) C4'-P energy: -10.170 bonds (distance) P-C4' energy: -12.443 flat angles C4'-P-C4' energy: -8.857 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -1.152 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: 10 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -165.007025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.007025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.007025 (E_RNA) where: Base-Base interactions energy: -102.062 where: short stacking energy: -63.884 Base-Backbone interact. energy: -0.034 local terms energy: -62.911091 where: bonds (distance) C4'-P energy: -14.442 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -12.706 flat angles P-C4'-P energy: -4.355 tors. eta vs tors. theta energy: -17.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -136.874153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.874153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.874153 (E_RNA) where: Base-Base interactions energy: -80.137 where: short stacking energy: -47.358 Base-Backbone interact. energy: -0.019 local terms energy: -56.718171 where: bonds (distance) C4'-P energy: -15.597 bonds (distance) P-C4' energy: -10.475 flat angles C4'-P-C4' energy: -14.982 flat angles P-C4'-P energy: -9.089 tors. eta vs tors. theta energy: -6.575 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: 7 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -142.640101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.640101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.640101 (E_RNA) where: Base-Base interactions energy: -82.787 where: short stacking energy: -40.319 Base-Backbone interact. energy: -0.084 local terms energy: -59.768996 where: bonds (distance) C4'-P energy: -13.817 bonds (distance) P-C4' energy: -12.800 flat angles C4'-P-C4' energy: -14.446 flat angles P-C4'-P energy: -8.898 tors. eta vs tors. theta energy: -9.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -143.147213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.147213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.147213 (E_RNA) where: Base-Base interactions energy: -87.845 where: short stacking energy: -54.500 Base-Backbone interact. energy: -0.025 local terms energy: -55.277231 where: bonds (distance) C4'-P energy: -9.036 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -11.365 flat angles P-C4'-P energy: -8.204 tors. eta vs tors. theta energy: -12.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -144.841916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.841916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.841916 (E_RNA) where: Base-Base interactions energy: -91.908 where: short stacking energy: -60.770 Base-Backbone interact. energy: -0.001 local terms energy: -52.933046 where: bonds (distance) C4'-P energy: -12.546 bonds (distance) P-C4' energy: -7.574 flat angles C4'-P-C4' energy: -11.441 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -13.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -101.253624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.253624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.253624 (E_RNA) where: Base-Base interactions energy: -45.587 where: short stacking energy: -45.506 Base-Backbone interact. energy: -0.021 local terms energy: -55.645550 where: bonds (distance) C4'-P energy: -11.557 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -12.959 flat angles P-C4'-P energy: -9.894 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: 7, replica: 4 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -80.842170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.842170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.842170 (E_RNA) where: Base-Base interactions energy: -38.215 where: short stacking energy: -37.373 Base-Backbone interact. energy: -0.478 local terms energy: -42.149626 where: bonds (distance) C4'-P energy: -11.271 bonds (distance) P-C4' energy: -11.003 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: -7.140 tors. eta vs tors. theta energy: -5.206 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: 308 Temperature: 1.250000 Total energy: -76.008061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.008061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.008061 (E_RNA) where: Base-Base interactions energy: -28.350 where: short stacking energy: -23.139 Base-Backbone interact. energy: -0.177 local terms energy: -47.481740 where: bonds (distance) C4'-P energy: -13.093 bonds (distance) P-C4' energy: -13.417 flat angles C4'-P-C4' energy: -15.236 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: -2.203 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: 5 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -74.623732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.623732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.623732 (E_RNA) where: Base-Base interactions energy: -27.827 where: short stacking energy: -27.827 Base-Backbone interact. energy: -0.317 local terms energy: -46.479830 where: bonds (distance) C4'-P energy: -8.393 bonds (distance) P-C4' energy: -14.748 flat angles C4'-P-C4' energy: -13.121 flat angles P-C4'-P energy: -7.845 tors. eta vs tors. theta energy: -2.372 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: 8 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -83.029430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.029430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.029430 (E_RNA) where: Base-Base interactions energy: -42.982 where: short stacking energy: -33.425 Base-Backbone interact. energy: -0.971 local terms energy: -39.076334 where: bonds (distance) C4'-P energy: -14.015 bonds (distance) P-C4' energy: -9.077 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -6.373 tors. eta vs tors. theta energy: -4.480 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: 309 Temperature: 0.900000 Total energy: -146.090992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.090992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.090992 (E_RNA) where: Base-Base interactions energy: -90.245 where: short stacking energy: -54.712 Base-Backbone interact. energy: -0.002 local terms energy: -55.843681 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -10.572 flat angles C4'-P-C4' energy: -12.449 flat angles P-C4'-P energy: -6.876 tors. eta vs tors. theta energy: -13.730 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: 2, replica: 7 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -170.386796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.386796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.386796 (E_RNA) where: Base-Base interactions energy: -101.194 where: short stacking energy: -62.128 Base-Backbone interact. energy: -0.031 local terms energy: -69.161613 where: bonds (distance) C4'-P energy: -12.720 bonds (distance) P-C4' energy: -13.398 flat angles C4'-P-C4' energy: -14.386 flat angles P-C4'-P energy: -9.581 tors. eta vs tors. theta energy: -19.076 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: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -143.974297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.974297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.974297 (E_RNA) where: Base-Base interactions energy: -82.050 where: short stacking energy: -49.881 Base-Backbone interact. energy: -0.040 local terms energy: -61.885055 where: bonds (distance) C4'-P energy: -13.473 bonds (distance) P-C4' energy: -14.326 flat angles C4'-P-C4' energy: -13.750 flat angles P-C4'-P energy: -12.155 tors. eta vs tors. theta energy: -8.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -140.140999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.140999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.140999 (E_RNA) where: Base-Base interactions energy: -83.574 where: short stacking energy: -48.929 Base-Backbone interact. energy: 0.103 local terms energy: -56.670175 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -9.892 flat angles C4'-P-C4' energy: -13.769 flat angles P-C4'-P energy: -9.404 tors. eta vs tors. theta energy: -9.979 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: 309 Temperature: 1.100000 Total energy: -124.941351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.941351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.941351 (E_RNA) where: Base-Base interactions energy: -78.014 where: short stacking energy: -53.567 Base-Backbone interact. energy: -0.016 local terms energy: -46.912275 where: bonds (distance) C4'-P energy: -11.755 bonds (distance) P-C4' energy: -10.358 flat angles C4'-P-C4' energy: -14.052 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -7.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -89.402538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.402538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.402538 (E_RNA) where: Base-Base interactions energy: -38.960 where: short stacking energy: -34.469 Base-Backbone interact. energy: -0.705 local terms energy: -49.737410 where: bonds (distance) C4'-P energy: -13.047 bonds (distance) P-C4' energy: -10.324 flat angles C4'-P-C4' energy: -11.115 flat angles P-C4'-P energy: -10.166 tors. eta vs tors. theta energy: -5.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -80.805700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.805700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.805700 (E_RNA) where: Base-Base interactions energy: -35.756 where: short stacking energy: -26.791 Base-Backbone interact. energy: -0.714 local terms energy: -44.335618 where: bonds (distance) C4'-P energy: -13.891 bonds (distance) P-C4' energy: -12.985 flat angles C4'-P-C4' energy: -11.407 flat angles P-C4'-P energy: -6.863 tors. eta vs tors. theta energy: 0.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -86.966886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.966886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.966886 (E_RNA) where: Base-Base interactions energy: -39.016 where: short stacking energy: -38.294 Base-Backbone interact. energy: -0.007 local terms energy: -47.944739 where: bonds (distance) C4'-P energy: -11.295 bonds (distance) P-C4' energy: -12.861 flat angles C4'-P-C4' energy: -8.564 flat angles P-C4'-P energy: -8.008 tors. eta vs tors. theta energy: -7.216 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: 9, replica: 5 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -85.465838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.465838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.465838 (E_RNA) where: Base-Base interactions energy: -34.130 where: short stacking energy: -34.059 Base-Backbone interact. energy: -0.031 local terms energy: -51.304581 where: bonds (distance) C4'-P energy: -9.307 bonds (distance) P-C4' energy: -10.671 flat angles C4'-P-C4' energy: -14.004 flat angles P-C4'-P energy: -7.691 tors. eta vs tors. theta energy: -9.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -74.915609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.915609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.915609 (E_RNA) where: Base-Base interactions energy: -35.118 where: short stacking energy: -32.401 Base-Backbone interact. energy: -0.485 local terms energy: -39.313023 where: bonds (distance) C4'-P energy: -12.986 bonds (distance) P-C4' energy: -11.940 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -4.863 tors. eta vs tors. theta energy: -4.379 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: 7 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -166.405065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.405065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.405065 (E_RNA) where: Base-Base interactions energy: -100.294 where: short stacking energy: -56.579 Base-Backbone interact. energy: -0.001 local terms energy: -66.109878 where: bonds (distance) C4'-P energy: -11.888 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -11.695 flat angles P-C4'-P energy: -11.959 tors. eta vs tors. theta energy: -14.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -147.461692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.461692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.461692 (E_RNA) where: Base-Base interactions energy: -82.324 where: short stacking energy: -51.902 Base-Backbone interact. energy: -0.133 local terms energy: -65.004975 where: bonds (distance) C4'-P energy: -12.417 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -11.377 tors. eta vs tors. theta energy: -13.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -146.107794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.107794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.107794 (E_RNA) where: Base-Base interactions energy: -85.700 where: short stacking energy: -54.474 Base-Backbone interact. energy: -0.214 local terms energy: -60.193006 where: bonds (distance) C4'-P energy: -11.478 bonds (distance) P-C4' energy: -14.317 flat angles C4'-P-C4' energy: -12.116 flat angles P-C4'-P energy: -6.936 tors. eta vs tors. theta energy: -15.346 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: 3 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -143.834960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.834960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.834960 (E_RNA) where: Base-Base interactions energy: -88.236 where: short stacking energy: -53.841 Base-Backbone interact. energy: -0.246 local terms energy: -55.352753 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -13.621 flat angles C4'-P-C4' energy: -10.728 flat angles P-C4'-P energy: -8.159 tors. eta vs tors. theta energy: -10.598 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: 6 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -134.542126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.542126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.542126 (E_RNA) where: Base-Base interactions energy: -80.007 where: short stacking energy: -45.905 Base-Backbone interact. energy: -0.082 local terms energy: -54.453012 where: bonds (distance) C4'-P energy: -12.632 bonds (distance) P-C4' energy: -16.429 flat angles C4'-P-C4' energy: -12.089 flat angles P-C4'-P energy: -7.098 tors. eta vs tors. theta energy: -6.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -100.215901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.215901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.215901 (E_RNA) where: Base-Base interactions energy: -45.441 where: short stacking energy: -42.022 Base-Backbone interact. energy: -0.023 local terms energy: -54.752349 where: bonds (distance) C4'-P energy: -10.640 bonds (distance) P-C4' energy: -12.517 flat angles C4'-P-C4' energy: -13.273 flat angles P-C4'-P energy: -10.256 tors. eta vs tors. theta energy: -8.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -87.388460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.388460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.388460 (E_RNA) where: Base-Base interactions energy: -37.954 where: short stacking energy: -34.532 Base-Backbone interact. energy: -0.717 local terms energy: -48.717765 where: bonds (distance) C4'-P energy: -11.511 bonds (distance) P-C4' energy: -11.476 flat angles C4'-P-C4' energy: -12.011 flat angles P-C4'-P energy: -8.226 tors. eta vs tors. theta energy: -5.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -74.456435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.456435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.456435 (E_RNA) where: Base-Base interactions energy: -30.849 where: short stacking energy: -30.849 Base-Backbone interact. energy: -1.668 local terms energy: -41.939054 where: bonds (distance) C4'-P energy: -14.007 bonds (distance) P-C4' energy: -10.243 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -8.054 tors. eta vs tors. theta energy: -3.122 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: 8 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -78.596733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.596733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.596733 (E_RNA) where: Base-Base interactions energy: -39.037 where: short stacking energy: -24.160 Base-Backbone interact. energy: -1.149 local terms energy: -38.411071 where: bonds (distance) C4'-P energy: -13.208 bonds (distance) P-C4' energy: -10.762 flat angles C4'-P-C4' energy: -11.441 flat angles P-C4'-P energy: -2.446 tors. eta vs tors. theta energy: -0.554 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: 5 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -72.759758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.759758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.759758 (E_RNA) where: Base-Base interactions energy: -26.424 where: short stacking energy: -26.001 Base-Backbone interact. energy: -0.235 local terms energy: -46.100578 where: bonds (distance) C4'-P energy: -7.462 bonds (distance) P-C4' energy: -14.824 flat angles C4'-P-C4' energy: -14.856 flat angles P-C4'-P energy: -7.907 tors. eta vs tors. theta energy: -1.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -160.578337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.578337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.578337 (E_RNA) where: Base-Base interactions energy: -97.979 where: short stacking energy: -64.880 Base-Backbone interact. energy: -0.004 local terms energy: -62.594578 where: bonds (distance) C4'-P energy: -13.333 bonds (distance) P-C4' energy: -10.542 flat angles C4'-P-C4' energy: -14.494 flat angles P-C4'-P energy: -8.157 tors. eta vs tors. theta energy: -16.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -156.747817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.747817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.747817 (E_RNA) where: Base-Base interactions energy: -94.095 where: short stacking energy: -60.830 Base-Backbone interact. energy: -0.159 local terms energy: -62.494240 where: bonds (distance) C4'-P energy: -13.304 bonds (distance) P-C4' energy: -11.059 flat angles C4'-P-C4' energy: -14.378 flat angles P-C4'-P energy: -9.739 tors. eta vs tors. theta energy: -14.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -143.835182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.835182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.835182 (E_RNA) where: Base-Base interactions energy: -85.306 where: short stacking energy: -51.100 Base-Backbone interact. energy: -0.289 local terms energy: -58.240251 where: bonds (distance) C4'-P energy: -12.343 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -9.743 flat angles P-C4'-P energy: -7.803 tors. eta vs tors. theta energy: -13.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -137.112035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.112035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.112035 (E_RNA) where: Base-Base interactions energy: -87.515 where: short stacking energy: -51.128 Base-Backbone interact. energy: -0.850 local terms energy: -48.746683 where: bonds (distance) C4'-P energy: -9.756 bonds (distance) P-C4' energy: -12.538 flat angles C4'-P-C4' energy: -12.868 flat angles P-C4'-P energy: -7.436 tors. eta vs tors. theta energy: -6.149 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: 5, replica: 3 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -142.337062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.337062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.337062 (E_RNA) where: Base-Base interactions energy: -83.844 where: short stacking energy: -57.083 Base-Backbone interact. energy: -0.278 local terms energy: -58.215491 where: bonds (distance) C4'-P energy: -10.784 bonds (distance) P-C4' energy: -11.944 flat angles C4'-P-C4' energy: -12.655 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -13.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -95.465792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.465792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.465792 (E_RNA) where: Base-Base interactions energy: -43.560 where: short stacking energy: -41.761 Base-Backbone interact. energy: -0.029 local terms energy: -51.876818 where: bonds (distance) C4'-P energy: -13.385 bonds (distance) P-C4' energy: -11.808 flat angles C4'-P-C4' energy: -13.829 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -8.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -91.566890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.566890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.566890 (E_RNA) where: Base-Base interactions energy: -51.398 where: short stacking energy: -42.150 Base-Backbone interact. energy: -0.356 local terms energy: -39.813174 where: bonds (distance) C4'-P energy: -10.115 bonds (distance) P-C4' energy: -10.674 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -9.749 tors. eta vs tors. theta energy: -4.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -84.288489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.288489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.288489 (E_RNA) where: Base-Base interactions energy: -40.377 where: short stacking energy: -30.878 Base-Backbone interact. energy: -1.004 local terms energy: -42.907671 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -4.528 flat angles P-C4'-P energy: -5.275 tors. eta vs tors. theta energy: -5.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -85.747006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.747006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.747006 (E_RNA) where: Base-Base interactions energy: -40.920 where: short stacking energy: -33.698 Base-Backbone interact. energy: 0.334 local terms energy: -45.160635 where: bonds (distance) C4'-P energy: -12.364 bonds (distance) P-C4' energy: -8.756 flat angles C4'-P-C4' energy: -12.494 flat angles P-C4'-P energy: -6.552 tors. eta vs tors. theta energy: -4.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -72.387976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.387976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.387976 (E_RNA) where: Base-Base interactions energy: -32.518 where: short stacking energy: -32.518 Base-Backbone interact. energy: -0.160 local terms energy: -39.710040 where: bonds (distance) C4'-P energy: -10.451 bonds (distance) P-C4' energy: -12.022 flat angles C4'-P-C4' energy: -10.522 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -3.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -152.555388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.555388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.555388 (E_RNA) where: Base-Base interactions energy: -92.149 where: short stacking energy: -59.266 Base-Backbone interact. energy: -0.001 local terms energy: -60.405012 where: bonds (distance) C4'-P energy: -14.921 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -11.298 flat angles P-C4'-P energy: -6.998 tors. eta vs tors. theta energy: -12.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -164.616287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.616287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.616287 (E_RNA) where: Base-Base interactions energy: -98.659 where: short stacking energy: -59.477 Base-Backbone interact. energy: -0.296 local terms energy: -65.661819 where: bonds (distance) C4'-P energy: -10.678 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -14.350 flat angles P-C4'-P energy: -8.087 tors. eta vs tors. theta energy: -18.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -139.046844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.046844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.046844 (E_RNA) where: Base-Base interactions energy: -87.744 where: short stacking energy: -55.019 Base-Backbone interact. energy: 0.185 local terms energy: -51.487840 where: bonds (distance) C4'-P energy: -8.869 bonds (distance) P-C4' energy: -11.926 flat angles C4'-P-C4' energy: -7.819 flat angles P-C4'-P energy: -8.723 tors. eta vs tors. theta energy: -14.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -139.903443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.903443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.903443 (E_RNA) where: Base-Base interactions energy: -83.393 where: short stacking energy: -46.944 Base-Backbone interact. energy: -0.047 local terms energy: -56.462829 where: bonds (distance) C4'-P energy: -12.799 bonds (distance) P-C4' energy: -11.622 flat angles C4'-P-C4' energy: -11.896 flat angles P-C4'-P energy: -6.647 tors. eta vs tors. theta energy: -13.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -129.983126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.983126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.983126 (E_RNA) where: Base-Base interactions energy: -80.001 where: short stacking energy: -46.591 Base-Backbone interact. energy: -0.032 local terms energy: -49.949891 where: bonds (distance) C4'-P energy: -8.473 bonds (distance) P-C4' energy: -11.553 flat angles C4'-P-C4' energy: -11.969 flat angles P-C4'-P energy: -9.567 tors. eta vs tors. theta energy: -8.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -95.090469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.090469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.090469 (E_RNA) where: Base-Base interactions energy: -38.474 where: short stacking energy: -38.474 Base-Backbone interact. energy: -0.036 local terms energy: -56.580375 where: bonds (distance) C4'-P energy: -9.514 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -14.898 flat angles P-C4'-P energy: -8.789 tors. eta vs tors. theta energy: -7.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -89.812811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.812811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.812811 (E_RNA) where: Base-Base interactions energy: -42.825 where: short stacking energy: -41.716 Base-Backbone interact. energy: -0.008 local terms energy: -46.979829 where: bonds (distance) C4'-P energy: -6.751 bonds (distance) P-C4' energy: -13.530 flat angles C4'-P-C4' energy: -9.951 flat angles P-C4'-P energy: -8.720 tors. eta vs tors. theta energy: -8.028 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: 8 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -80.428593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.428593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.428593 (E_RNA) where: Base-Base interactions energy: -36.237 where: short stacking energy: -36.237 Base-Backbone interact. energy: -0.011 local terms energy: -44.180021 where: bonds (distance) C4'-P energy: -8.302 bonds (distance) P-C4' energy: -10.182 flat angles C4'-P-C4' energy: -10.750 flat angles P-C4'-P energy: -10.427 tors. eta vs tors. theta energy: -4.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -82.375797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.375797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.375797 (E_RNA) where: Base-Base interactions energy: -40.801 where: short stacking energy: -36.197 Base-Backbone interact. energy: 0.018 local terms energy: -41.592907 where: bonds (distance) C4'-P energy: -6.418 bonds (distance) P-C4' energy: -12.957 flat angles C4'-P-C4' energy: -9.490 flat angles P-C4'-P energy: -7.121 tors. eta vs tors. theta energy: -5.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -76.160165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.160165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.160165 (E_RNA) where: Base-Base interactions energy: -33.703 where: short stacking energy: -33.703 Base-Backbone interact. energy: -0.072 local terms energy: -42.385099 where: bonds (distance) C4'-P energy: -11.606 bonds (distance) P-C4' energy: -11.366 flat angles C4'-P-C4' energy: -8.044 flat angles P-C4'-P energy: -9.146 tors. eta vs tors. theta energy: -2.223 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: 2 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -159.753490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.753490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.753490 (E_RNA) where: Base-Base interactions energy: -96.917 where: short stacking energy: -66.202 Base-Backbone interact. energy: -0.007 local terms energy: -62.829181 where: bonds (distance) C4'-P energy: -10.691 bonds (distance) P-C4' energy: -13.505 flat angles C4'-P-C4' energy: -10.172 flat angles P-C4'-P energy: -11.099 tors. eta vs tors. theta energy: -17.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -167.432955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.432955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.432955 (E_RNA) where: Base-Base interactions energy: -99.339 where: short stacking energy: -60.588 Base-Backbone interact. energy: -0.000 local terms energy: -68.093185 where: bonds (distance) C4'-P energy: -11.663 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -14.281 flat angles P-C4'-P energy: -8.556 tors. eta vs tors. theta energy: -17.366 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: 3, replica: 10 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -144.156699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.156699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.156699 (E_RNA) where: Base-Base interactions energy: -81.834 where: short stacking energy: -54.042 Base-Backbone interact. energy: 0.148 local terms energy: -62.470756 where: bonds (distance) C4'-P energy: -11.110 bonds (distance) P-C4' energy: -14.124 flat angles C4'-P-C4' energy: -14.109 flat angles P-C4'-P energy: -10.475 tors. eta vs tors. theta energy: -12.653 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: 6 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -149.639771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.639771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.639771 (E_RNA) where: Base-Base interactions energy: -97.556 where: short stacking energy: -61.409 Base-Backbone interact. energy: -0.011 local terms energy: -52.072484 where: bonds (distance) C4'-P energy: -8.306 bonds (distance) P-C4' energy: -12.421 flat angles C4'-P-C4' energy: -12.802 flat angles P-C4'-P energy: -6.784 tors. eta vs tors. theta energy: -11.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -131.517302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.517302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.517302 (E_RNA) where: Base-Base interactions energy: -80.785 where: short stacking energy: -46.929 Base-Backbone interact. energy: -1.024 local terms energy: -49.708246 where: bonds (distance) C4'-P energy: -11.825 bonds (distance) P-C4' energy: -9.362 flat angles C4'-P-C4' energy: -12.976 flat angles P-C4'-P energy: -7.220 tors. eta vs tors. theta energy: -8.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -92.919174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.919174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.919174 (E_RNA) where: Base-Base interactions energy: -39.236 where: short stacking energy: -33.790 Base-Backbone interact. energy: -0.585 local terms energy: -53.097635 where: bonds (distance) C4'-P energy: -8.961 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -8.715 flat angles P-C4'-P energy: -11.033 tors. eta vs tors. theta energy: -8.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -88.160442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.160442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.160442 (E_RNA) where: Base-Base interactions energy: -43.159 where: short stacking energy: -34.011 Base-Backbone interact. energy: -0.077 local terms energy: -44.923997 where: bonds (distance) C4'-P energy: -6.745 bonds (distance) P-C4' energy: -13.806 flat angles C4'-P-C4' energy: -9.487 flat angles P-C4'-P energy: -6.909 tors. eta vs tors. theta energy: -7.977 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: 5 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -92.286422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.286422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.286422 (E_RNA) where: Base-Base interactions energy: -43.110 where: short stacking energy: -41.902 Base-Backbone interact. energy: 0.461 local terms energy: -49.637429 where: bonds (distance) C4'-P energy: -12.509 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -8.511 flat angles P-C4'-P energy: -7.874 tors. eta vs tors. theta energy: -5.218 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: 8 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -80.256311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.256311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.256311 (E_RNA) where: Base-Base interactions energy: -31.980 where: short stacking energy: -31.980 Base-Backbone interact. energy: -0.107 local terms energy: -48.168984 where: bonds (distance) C4'-P energy: -11.278 bonds (distance) P-C4' energy: -12.781 flat angles C4'-P-C4' energy: -12.315 flat angles P-C4'-P energy: -6.991 tors. eta vs tors. theta energy: -4.804 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: 9 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -89.415356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.415356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.415356 (E_RNA) where: Base-Base interactions energy: -39.310 where: short stacking energy: -28.390 Base-Backbone interact. energy: -0.167 local terms energy: -49.937818 where: bonds (distance) C4'-P energy: -12.578 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -10.488 flat angles P-C4'-P energy: -9.067 tors. eta vs tors. theta energy: -4.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -162.776306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.776306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.776306 (E_RNA) where: Base-Base interactions energy: -96.772 where: short stacking energy: -60.433 Base-Backbone interact. energy: -0.001 local terms energy: -66.003355 where: bonds (distance) C4'-P energy: -11.243 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -13.042 flat angles P-C4'-P energy: -8.875 tors. eta vs tors. theta energy: -18.343 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: 7 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -141.444308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.444308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.444308 (E_RNA) where: Base-Base interactions energy: -81.294 where: short stacking energy: -54.227 Base-Backbone interact. energy: -0.087 local terms energy: -60.063554 where: bonds (distance) C4'-P energy: -12.425 bonds (distance) P-C4' energy: -12.753 flat angles C4'-P-C4' energy: -13.283 flat angles P-C4'-P energy: -9.303 tors. eta vs tors. theta energy: -12.298 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: 6 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -150.976380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.976380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.976380 (E_RNA) where: Base-Base interactions energy: -99.369 where: short stacking energy: -57.081 Base-Backbone interact. energy: -0.013 local terms energy: -51.593742 where: bonds (distance) C4'-P energy: -12.354 bonds (distance) P-C4' energy: -11.651 flat angles C4'-P-C4' energy: -9.258 flat angles P-C4'-P energy: -7.021 tors. eta vs tors. theta energy: -11.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -142.400506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.400506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.400506 (E_RNA) where: Base-Base interactions energy: -79.538 where: short stacking energy: -45.880 Base-Backbone interact. energy: -0.015 local terms energy: -62.847385 where: bonds (distance) C4'-P energy: -15.427 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -15.562 flat angles P-C4'-P energy: -6.645 tors. eta vs tors. theta energy: -10.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -139.496831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.496831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.496831 (E_RNA) where: Base-Base interactions energy: -80.964 where: short stacking energy: -48.100 Base-Backbone interact. energy: -0.773 local terms energy: -57.760372 where: bonds (distance) C4'-P energy: -12.152 bonds (distance) P-C4' energy: -16.159 flat angles C4'-P-C4' energy: -12.937 flat angles P-C4'-P energy: -7.024 tors. eta vs tors. theta energy: -9.489 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: 1 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -85.402051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.402051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.402051 (E_RNA) where: Base-Base interactions energy: -33.681 where: short stacking energy: -33.517 Base-Backbone interact. energy: -0.281 local terms energy: -51.439754 where: bonds (distance) C4'-P energy: -14.400 bonds (distance) P-C4' energy: -13.956 flat angles C4'-P-C4' energy: -13.544 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: -5.965 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: 4 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -76.721794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.721794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.721794 (E_RNA) where: Base-Base interactions energy: -28.613 where: short stacking energy: -28.613 Base-Backbone interact. energy: -0.077 local terms energy: -48.031255 where: bonds (distance) C4'-P energy: -11.466 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -8.747 flat angles P-C4'-P energy: -6.929 tors. eta vs tors. theta energy: -5.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -74.256178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.256178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.256178 (E_RNA) where: Base-Base interactions energy: -25.928 where: short stacking energy: -25.928 Base-Backbone interact. energy: -0.207 local terms energy: -48.120631 where: bonds (distance) C4'-P energy: -11.502 bonds (distance) P-C4' energy: -12.306 flat angles C4'-P-C4' energy: -13.053 flat angles P-C4'-P energy: -8.352 tors. eta vs tors. theta energy: -2.908 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: 9 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -78.990482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.990482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.990482 (E_RNA) where: Base-Base interactions energy: -34.072 where: short stacking energy: -21.115 Base-Backbone interact. energy: -0.155 local terms energy: -44.763461 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -13.842 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -8.296 tors. eta vs tors. theta energy: -2.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -71.210844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.210844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.210844 (E_RNA) where: Base-Base interactions energy: -25.945 where: short stacking energy: -21.556 Base-Backbone interact. energy: -0.851 local terms energy: -44.415018 where: bonds (distance) C4'-P energy: -11.100 bonds (distance) P-C4' energy: -14.023 flat angles C4'-P-C4' energy: -8.045 flat angles P-C4'-P energy: -7.335 tors. eta vs tors. theta energy: -3.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -157.176617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.176617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.176617 (E_RNA) where: Base-Base interactions energy: -92.227 where: short stacking energy: -59.731 Base-Backbone interact. energy: -0.018 local terms energy: -64.931035 where: bonds (distance) C4'-P energy: -10.906 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -15.043 flat angles P-C4'-P energy: -11.862 tors. eta vs tors. theta energy: -11.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -156.719089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.719089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.719089 (E_RNA) where: Base-Base interactions energy: -91.871 where: short stacking energy: -60.645 Base-Backbone interact. energy: -0.486 local terms energy: -64.362018 where: bonds (distance) C4'-P energy: -15.505 bonds (distance) P-C4' energy: -13.854 flat angles C4'-P-C4' energy: -14.131 flat angles P-C4'-P energy: -4.871 tors. eta vs tors. theta energy: -16.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -149.722351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.722351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.722351 (E_RNA) where: Base-Base interactions energy: -92.886 where: short stacking energy: -59.601 Base-Backbone interact. energy: -0.090 local terms energy: -56.746136 where: bonds (distance) C4'-P energy: -11.680 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -9.975 flat angles P-C4'-P energy: -10.206 tors. eta vs tors. theta energy: -10.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -139.741139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.741139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.741139 (E_RNA) where: Base-Base interactions energy: -79.419 where: short stacking energy: -45.123 Base-Backbone interact. energy: -1.377 local terms energy: -58.945877 where: bonds (distance) C4'-P energy: -11.387 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -14.551 flat angles P-C4'-P energy: -6.579 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: 5, replica: 3 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -132.205653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.205653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.205653 (E_RNA) where: Base-Base interactions energy: -75.870 where: short stacking energy: -45.516 Base-Backbone interact. energy: -0.145 local terms energy: -56.191128 where: bonds (distance) C4'-P energy: -14.209 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -13.579 flat angles P-C4'-P energy: -9.392 tors. eta vs tors. theta energy: -5.497 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: 4 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -87.508786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.508786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.508786 (E_RNA) where: Base-Base interactions energy: -43.308 where: short stacking energy: -32.093 Base-Backbone interact. energy: 1.473 local terms energy: -45.674183 where: bonds (distance) C4'-P energy: -11.102 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -13.535 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -2.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -101.321495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.321495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.321495 (E_RNA) where: Base-Base interactions energy: -47.370 where: short stacking energy: -46.330 Base-Backbone interact. energy: -0.025 local terms energy: -53.925798 where: bonds (distance) C4'-P energy: -13.357 bonds (distance) P-C4' energy: -12.492 flat angles C4'-P-C4' energy: -11.011 flat angles P-C4'-P energy: -8.625 tors. eta vs tors. theta energy: -8.441 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: 9 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -86.881084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.881084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.881084 (E_RNA) where: Base-Base interactions energy: -41.057 where: short stacking energy: -28.954 Base-Backbone interact. energy: -0.719 local terms energy: -45.105067 where: bonds (distance) C4'-P energy: -12.069 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -8.727 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -5.444 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: 5 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -80.604463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.604463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.604463 (E_RNA) where: Base-Base interactions energy: -39.544 where: short stacking energy: -25.046 Base-Backbone interact. energy: 0.015 local terms energy: -41.075528 where: bonds (distance) C4'-P energy: -10.674 bonds (distance) P-C4' energy: -12.677 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -7.697 tors. eta vs tors. theta energy: -3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -77.723557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.723557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.723557 (E_RNA) where: Base-Base interactions energy: -32.748 where: short stacking energy: -23.391 Base-Backbone interact. energy: -0.414 local terms energy: -44.561526 where: bonds (distance) C4'-P energy: -10.360 bonds (distance) P-C4' energy: -14.050 flat angles C4'-P-C4' energy: -10.140 flat angles P-C4'-P energy: -6.478 tors. eta vs tors. theta energy: -3.533 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: 6 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -162.836521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.836521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.836521 (E_RNA) where: Base-Base interactions energy: -99.649 where: short stacking energy: -54.222 Base-Backbone interact. energy: -0.184 local terms energy: -63.003553 where: bonds (distance) C4'-P energy: -12.524 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -13.481 flat angles P-C4'-P energy: -12.198 tors. eta vs tors. theta energy: -10.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -157.230681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.230681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.230681 (E_RNA) where: Base-Base interactions energy: -102.143 where: short stacking energy: -63.807 Base-Backbone interact. energy: 0.044 local terms energy: -55.131509 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -9.499 flat angles C4'-P-C4' energy: -13.419 flat angles P-C4'-P energy: -11.446 tors. eta vs tors. theta energy: -13.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -144.930381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.930381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.930381 (E_RNA) where: Base-Base interactions energy: -85.341 where: short stacking energy: -59.824 Base-Backbone interact. energy: 0.472 local terms energy: -60.061371 where: bonds (distance) C4'-P energy: -8.964 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -14.304 flat angles P-C4'-P energy: -10.353 tors. eta vs tors. theta energy: -11.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -130.964455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.964455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.964455 (E_RNA) where: Base-Base interactions energy: -78.943 where: short stacking energy: -48.391 Base-Backbone interact. energy: 1.383 local terms energy: -53.403743 where: bonds (distance) C4'-P energy: -10.844 bonds (distance) P-C4' energy: -16.256 flat angles C4'-P-C4' energy: -12.606 flat angles P-C4'-P energy: -4.150 tors. eta vs tors. theta energy: -9.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -130.608504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.608504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.608504 (E_RNA) where: Base-Base interactions energy: -75.829 where: short stacking energy: -53.212 Base-Backbone interact. energy: -0.030 local terms energy: -54.748952 where: bonds (distance) C4'-P energy: -12.778 bonds (distance) P-C4' energy: -13.195 flat angles C4'-P-C4' energy: -13.074 flat angles P-C4'-P energy: -7.084 tors. eta vs tors. theta energy: -8.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -94.810043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.810043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.810043 (E_RNA) where: Base-Base interactions energy: -45.101 where: short stacking energy: -43.651 Base-Backbone interact. energy: -0.018 local terms energy: -49.691354 where: bonds (distance) C4'-P energy: -11.614 bonds (distance) P-C4' energy: -11.665 flat angles C4'-P-C4' energy: -12.276 flat angles P-C4'-P energy: -5.585 tors. eta vs tors. theta energy: -8.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -83.522898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.522898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.522898 (E_RNA) where: Base-Base interactions energy: -28.393 where: short stacking energy: -28.330 Base-Backbone interact. energy: -0.006 local terms energy: -55.123986 where: bonds (distance) C4'-P energy: -13.573 bonds (distance) P-C4' energy: -13.778 flat angles C4'-P-C4' energy: -10.079 flat angles P-C4'-P energy: -11.212 tors. eta vs tors. theta energy: -6.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -87.348974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.348974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.348974 (E_RNA) where: Base-Base interactions energy: -33.297 where: short stacking energy: -32.760 Base-Backbone interact. energy: -0.104 local terms energy: -53.947866 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -14.163 flat angles P-C4'-P energy: -8.247 tors. eta vs tors. theta energy: -2.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -77.479238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.479238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.479238 (E_RNA) where: Base-Base interactions energy: -27.869 where: short stacking energy: -27.414 Base-Backbone interact. energy: -0.163 local terms energy: -49.446354 where: bonds (distance) C4'-P energy: -11.619 bonds (distance) P-C4' energy: -12.036 flat angles C4'-P-C4' energy: -11.666 flat angles P-C4'-P energy: -10.130 tors. eta vs tors. theta energy: -3.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -87.718821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.718821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.718821 (E_RNA) where: Base-Base interactions energy: -40.384 where: short stacking energy: -28.748 Base-Backbone interact. energy: -0.038 local terms energy: -47.295844 where: bonds (distance) C4'-P energy: -9.730 bonds (distance) P-C4' energy: -11.761 flat angles C4'-P-C4' energy: -10.744 flat angles P-C4'-P energy: -9.863 tors. eta vs tors. theta energy: -5.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -151.623757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.623757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.623757 (E_RNA) where: Base-Base interactions energy: -94.164 where: short stacking energy: -57.889 Base-Backbone interact. energy: -1.003 local terms energy: -56.457080 where: bonds (distance) C4'-P energy: -10.692 bonds (distance) P-C4' energy: -12.966 flat angles C4'-P-C4' energy: -12.815 flat angles P-C4'-P energy: -9.042 tors. eta vs tors. theta energy: -10.942 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: 2 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -154.671911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.671911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.671911 (E_RNA) where: Base-Base interactions energy: -91.231 where: short stacking energy: -57.563 Base-Backbone interact. energy: -0.007 local terms energy: -63.433827 where: bonds (distance) C4'-P energy: -11.875 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -15.173 flat angles P-C4'-P energy: -10.408 tors. eta vs tors. theta energy: -11.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -146.272814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.272814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.272814 (E_RNA) where: Base-Base interactions energy: -80.683 where: short stacking energy: -53.444 Base-Backbone interact. energy: 0.312 local terms energy: -65.902337 where: bonds (distance) C4'-P energy: -9.295 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -14.233 flat angles P-C4'-P energy: -11.664 tors. eta vs tors. theta energy: -15.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -144.275191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.275191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.275191 (E_RNA) where: Base-Base interactions energy: -83.222 where: short stacking energy: -51.906 Base-Backbone interact. energy: -0.101 local terms energy: -60.952789 where: bonds (distance) C4'-P energy: -13.287 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -10.879 flat angles P-C4'-P energy: -9.064 tors. eta vs tors. theta energy: -13.779 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: 317 Temperature: 1.100000 Total energy: -119.032807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.032807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.032807 (E_RNA) where: Base-Base interactions energy: -63.115 where: short stacking energy: -40.942 Base-Backbone interact. energy: -0.000 local terms energy: -55.917491 where: bonds (distance) C4'-P energy: -11.965 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -10.493 flat angles P-C4'-P energy: -10.221 tors. eta vs tors. theta energy: -7.730 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: 317 Temperature: 1.150000 Total energy: -93.171831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.171831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.171831 (E_RNA) where: Base-Base interactions energy: -43.390 where: short stacking energy: -43.390 Base-Backbone interact. energy: 1.515 local terms energy: -51.296346 where: bonds (distance) C4'-P energy: -10.984 bonds (distance) P-C4' energy: -12.330 flat angles C4'-P-C4' energy: -8.428 flat angles P-C4'-P energy: -7.563 tors. eta vs tors. theta energy: -11.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -105.392372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.392372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.392372 (E_RNA) where: Base-Base interactions energy: -49.419 where: short stacking energy: -49.419 Base-Backbone interact. energy: -0.006 local terms energy: -55.968119 where: bonds (distance) C4'-P energy: -9.324 bonds (distance) P-C4' energy: -12.557 flat angles C4'-P-C4' energy: -14.081 flat angles P-C4'-P energy: -6.457 tors. eta vs tors. theta energy: -13.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -77.921565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.921565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.921565 (E_RNA) where: Base-Base interactions energy: -32.483 where: short stacking energy: -32.483 Base-Backbone interact. energy: -0.306 local terms energy: -45.131768 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -9.933 flat angles C4'-P-C4' energy: -9.520 flat angles P-C4'-P energy: -9.311 tors. eta vs tors. theta energy: -4.095 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: 9, replica: 1 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -81.483450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.483450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.483450 (E_RNA) where: Base-Base interactions energy: -29.928 where: short stacking energy: -29.928 Base-Backbone interact. energy: -0.098 local terms energy: -51.457433 where: bonds (distance) C4'-P energy: -10.206 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -11.927 flat angles P-C4'-P energy: -7.775 tors. eta vs tors. theta energy: -6.223 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: 5 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -73.822942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.822942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.822942 (E_RNA) where: Base-Base interactions energy: -30.170 where: short stacking energy: -26.108 Base-Backbone interact. energy: -0.005 local terms energy: -43.647910 where: bonds (distance) C4'-P energy: -11.403 bonds (distance) P-C4' energy: -12.509 flat angles C4'-P-C4' energy: -11.046 flat angles P-C4'-P energy: -7.495 tors. eta vs tors. theta energy: -1.195 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: 1, replica: 2 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -156.100901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.100901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.100901 (E_RNA) where: Base-Base interactions energy: -90.017 where: short stacking energy: -61.614 Base-Backbone interact. energy: -0.000 local terms energy: -66.083892 where: bonds (distance) C4'-P energy: -12.409 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -12.357 flat angles P-C4'-P energy: -11.910 tors. eta vs tors. theta energy: -14.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -141.487522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.487522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.487522 (E_RNA) where: Base-Base interactions energy: -90.360 where: short stacking energy: -56.347 Base-Backbone interact. energy: -0.005 local terms energy: -51.122087 where: bonds (distance) C4'-P energy: -12.496 bonds (distance) P-C4' energy: -8.739 flat angles C4'-P-C4' energy: -13.845 flat angles P-C4'-P energy: -7.582 tors. eta vs tors. theta energy: -8.460 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: 3 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -139.925492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.925492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.925492 (E_RNA) where: Base-Base interactions energy: -83.732 where: short stacking energy: -54.569 Base-Backbone interact. energy: -0.002 local terms energy: -56.191026 where: bonds (distance) C4'-P energy: -14.251 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -10.422 flat angles P-C4'-P energy: -7.568 tors. eta vs tors. theta energy: -11.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -147.398941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.398941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.398941 (E_RNA) where: Base-Base interactions energy: -89.314 where: short stacking energy: -55.923 Base-Backbone interact. energy: -0.325 local terms energy: -57.759787 where: bonds (distance) C4'-P energy: -11.785 bonds (distance) P-C4' energy: -13.418 flat angles C4'-P-C4' energy: -12.787 flat angles P-C4'-P energy: -6.313 tors. eta vs tors. theta energy: -13.456 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: 9 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -96.311657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.311657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.311657 (E_RNA) where: Base-Base interactions energy: -43.625 where: short stacking energy: -40.898 Base-Backbone interact. energy: -0.053 local terms energy: -52.634191 where: bonds (distance) C4'-P energy: -13.970 bonds (distance) P-C4' energy: -9.123 flat angles C4'-P-C4' energy: -13.032 flat angles P-C4'-P energy: -7.945 tors. eta vs tors. theta energy: -8.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -96.024338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.024338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.024338 (E_RNA) where: Base-Base interactions energy: -44.560 where: short stacking energy: -42.097 Base-Backbone interact. energy: 0.118 local terms energy: -51.581413 where: bonds (distance) C4'-P energy: -13.121 bonds (distance) P-C4' energy: -14.327 flat angles C4'-P-C4' energy: -8.017 flat angles P-C4'-P energy: -8.700 tors. eta vs tors. theta energy: -7.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -77.389640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.389640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.389640 (E_RNA) where: Base-Base interactions energy: -31.651 where: short stacking energy: -30.564 Base-Backbone interact. energy: -0.061 local terms energy: -45.678112 where: bonds (distance) C4'-P energy: -12.272 bonds (distance) P-C4' energy: -12.924 flat angles C4'-P-C4' energy: -13.270 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: -2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -82.415006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.415006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.415006 (E_RNA) where: Base-Base interactions energy: -29.726 where: short stacking energy: -28.877 Base-Backbone interact. energy: -0.168 local terms energy: -52.521289 where: bonds (distance) C4'-P energy: -11.264 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -11.343 flat angles P-C4'-P energy: -10.659 tors. eta vs tors. theta energy: -4.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -75.136427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.136427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.136427 (E_RNA) where: Base-Base interactions energy: -39.550 where: short stacking energy: -27.689 Base-Backbone interact. energy: -0.003 local terms energy: -35.583804 where: bonds (distance) C4'-P energy: -10.861 bonds (distance) P-C4' energy: -9.580 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -5.970 tors. eta vs tors. theta energy: -3.559 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: 10, replica: 5 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -80.037945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.037945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.037945 (E_RNA) where: Base-Base interactions energy: -37.233 where: short stacking energy: -35.945 Base-Backbone interact. energy: -0.503 local terms energy: -42.301980 where: bonds (distance) C4'-P energy: -9.346 bonds (distance) P-C4' energy: -12.439 flat angles C4'-P-C4' energy: -9.427 flat angles P-C4'-P energy: -8.304 tors. eta vs tors. theta energy: -2.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -165.745538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.745538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.745538 (E_RNA) where: Base-Base interactions energy: -99.624 where: short stacking energy: -61.230 Base-Backbone interact. energy: -0.013 local terms energy: -66.108464 where: bonds (distance) C4'-P energy: -12.957 bonds (distance) P-C4' energy: -13.967 flat angles C4'-P-C4' energy: -11.727 flat angles P-C4'-P energy: -11.638 tors. eta vs tors. theta energy: -15.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -147.744442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.744442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.744442 (E_RNA) where: Base-Base interactions energy: -91.482 where: short stacking energy: -58.676 Base-Backbone interact. energy: -0.067 local terms energy: -56.196081 where: bonds (distance) C4'-P energy: -9.725 bonds (distance) P-C4' energy: -9.113 flat angles C4'-P-C4' energy: -13.238 flat angles P-C4'-P energy: -9.061 tors. eta vs tors. theta energy: -15.060 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: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -131.118641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.118641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.118641 (E_RNA) where: Base-Base interactions energy: -77.102 where: short stacking energy: -51.988 Base-Backbone interact. energy: 0.336 local terms energy: -54.352689 where: bonds (distance) C4'-P energy: -14.023 bonds (distance) P-C4' energy: -10.604 flat angles C4'-P-C4' energy: -11.396 flat angles P-C4'-P energy: -7.769 tors. eta vs tors. theta energy: -10.561 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: 4, replica: 10 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -140.806882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.806882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.806882 (E_RNA) where: Base-Base interactions energy: -79.741 where: short stacking energy: -53.779 Base-Backbone interact. energy: -0.004 local terms energy: -61.061561 where: bonds (distance) C4'-P energy: -12.211 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -12.610 flat angles P-C4'-P energy: -8.678 tors. eta vs tors. theta energy: -14.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -97.100899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.100899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.100899 (E_RNA) where: Base-Base interactions energy: -42.673 where: short stacking energy: -40.909 Base-Backbone interact. energy: -0.099 local terms energy: -54.328137 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -13.835 flat angles P-C4'-P energy: -8.985 tors. eta vs tors. theta energy: -10.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -99.842275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.842275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.842275 (E_RNA) where: Base-Base interactions energy: -48.118 where: short stacking energy: -35.857 Base-Backbone interact. energy: -0.166 local terms energy: -51.558226 where: bonds (distance) C4'-P energy: -8.030 bonds (distance) P-C4' energy: -14.931 flat angles C4'-P-C4' energy: -11.770 flat angles P-C4'-P energy: -9.257 tors. eta vs tors. theta energy: -7.570 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: 319 Temperature: 1.200000 Total energy: -106.462330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.462330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.462330 (E_RNA) where: Base-Base interactions energy: -57.736 where: short stacking energy: -30.071 Base-Backbone interact. energy: -0.100 local terms energy: -48.626403 where: bonds (distance) C4'-P energy: -12.451 bonds (distance) P-C4' energy: -14.047 flat angles C4'-P-C4' energy: -13.928 flat angles P-C4'-P energy: -6.634 tors. eta vs tors. theta energy: -1.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -81.162370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.162370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.162370 (E_RNA) where: Base-Base interactions energy: -32.156 where: short stacking energy: -32.156 Base-Backbone interact. energy: -0.702 local terms energy: -48.304538 where: bonds (distance) C4'-P energy: -11.382 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -12.268 flat angles P-C4'-P energy: -5.999 tors. eta vs tors. theta energy: -4.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -83.266322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.266322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.266322 (E_RNA) where: Base-Base interactions energy: -39.365 where: short stacking energy: -29.645 Base-Backbone interact. energy: -0.178 local terms energy: -43.723266 where: bonds (distance) C4'-P energy: -10.605 bonds (distance) P-C4' energy: -11.345 flat angles C4'-P-C4' energy: -12.101 flat angles P-C4'-P energy: -7.203 tors. eta vs tors. theta energy: -2.469 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: 5 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -71.066096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.066096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.066096 (E_RNA) where: Base-Base interactions energy: -25.080 where: short stacking energy: -23.979 Base-Backbone interact. energy: -0.171 local terms energy: -45.814938 where: bonds (distance) C4'-P energy: -13.531 bonds (distance) P-C4' energy: -15.957 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: -4.433 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: 1, replica: 6 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -164.086335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.086335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.086335 (E_RNA) where: Base-Base interactions energy: -103.485 where: short stacking energy: -65.172 Base-Backbone interact. energy: -0.001 local terms energy: -60.600907 where: bonds (distance) C4'-P energy: -11.564 bonds (distance) P-C4' energy: -15.685 flat angles C4'-P-C4' energy: -9.303 flat angles P-C4'-P energy: -9.967 tors. eta vs tors. theta energy: -14.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -153.174343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.174343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.174343 (E_RNA) where: Base-Base interactions energy: -85.114 where: short stacking energy: -48.069 Base-Backbone interact. energy: -0.018 local terms energy: -68.042027 where: bonds (distance) C4'-P energy: -13.229 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -13.160 flat angles P-C4'-P energy: -11.009 tors. eta vs tors. theta energy: -14.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -146.352776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.352776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.352776 (E_RNA) where: Base-Base interactions energy: -89.308 where: short stacking energy: -49.263 Base-Backbone interact. energy: -1.006 local terms energy: -56.038399 where: bonds (distance) C4'-P energy: -14.662 bonds (distance) P-C4' energy: -10.029 flat angles C4'-P-C4' energy: -12.563 flat angles P-C4'-P energy: -10.611 tors. eta vs tors. theta energy: -8.173 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: 4, replica: 3 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -140.848566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.848566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.848566 (E_RNA) where: Base-Base interactions energy: -85.977 where: short stacking energy: -54.808 Base-Backbone interact. energy: 0.098 local terms energy: -54.970129 where: bonds (distance) C4'-P energy: -8.468 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -11.441 flat angles P-C4'-P energy: -8.523 tors. eta vs tors. theta energy: -11.012 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: 9 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -113.114822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.114822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.114822 (E_RNA) where: Base-Base interactions energy: -59.374 where: short stacking energy: -59.374 Base-Backbone interact. energy: -0.000 local terms energy: -53.740505 where: bonds (distance) C4'-P energy: -13.907 bonds (distance) P-C4' energy: -11.364 flat angles C4'-P-C4' energy: -9.408 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -13.359 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: 320 Temperature: 1.150000 Total energy: -94.984820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.984820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.984820 (E_RNA) where: Base-Base interactions energy: -40.731 where: short stacking energy: -35.306 Base-Backbone interact. energy: -0.258 local terms energy: -53.995845 where: bonds (distance) C4'-P energy: -14.306 bonds (distance) P-C4' energy: -14.014 flat angles C4'-P-C4' energy: -9.745 flat angles P-C4'-P energy: -8.854 tors. eta vs tors. theta energy: -7.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -125.248427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.248427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.248427 (E_RNA) where: Base-Base interactions energy: -74.860 where: short stacking energy: -46.511 Base-Backbone interact. energy: -0.148 local terms energy: -50.241091 where: bonds (distance) C4'-P energy: -9.205 bonds (distance) P-C4' energy: -15.531 flat angles C4'-P-C4' energy: -12.635 flat angles P-C4'-P energy: -5.121 tors. eta vs tors. theta energy: -7.749 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: 8, replica: 7 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -109.418136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.418136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.418136 (E_RNA) where: Base-Base interactions energy: -60.200 where: short stacking energy: -35.633 Base-Backbone interact. energy: -0.810 local terms energy: -48.407907 where: bonds (distance) C4'-P energy: -12.766 bonds (distance) P-C4' energy: -12.860 flat angles C4'-P-C4' energy: -6.068 flat angles P-C4'-P energy: -10.329 tors. eta vs tors. theta energy: -6.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -83.437449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.437449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.437449 (E_RNA) where: Base-Base interactions energy: -33.174 where: short stacking energy: -22.791 Base-Backbone interact. energy: -0.078 local terms energy: -50.185390 where: bonds (distance) C4'-P energy: -12.025 bonds (distance) P-C4' energy: -12.362 flat angles C4'-P-C4' energy: -12.656 flat angles P-C4'-P energy: -8.888 tors. eta vs tors. theta energy: -4.255 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: 4 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -79.005313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.005313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.005313 (E_RNA) where: Base-Base interactions energy: -31.204 where: short stacking energy: -25.359 Base-Backbone interact. energy: -0.228 local terms energy: -47.573288 where: bonds (distance) C4'-P energy: -8.406 bonds (distance) P-C4' energy: -12.777 flat angles C4'-P-C4' energy: -12.031 flat angles P-C4'-P energy: -9.917 tors. eta vs tors. theta energy: -4.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -164.380452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.380452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.380452 (E_RNA) where: Base-Base interactions energy: -98.767 where: short stacking energy: -68.636 Base-Backbone interact. energy: -0.006 local terms energy: -65.608090 where: bonds (distance) C4'-P energy: -13.030 bonds (distance) P-C4' energy: -11.161 flat angles C4'-P-C4' energy: -13.952 flat angles P-C4'-P energy: -10.824 tors. eta vs tors. theta energy: -16.640 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: 10 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -128.698020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.698020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.698020 (E_RNA) where: Base-Base interactions energy: -75.990 where: short stacking energy: -47.111 Base-Backbone interact. energy: -0.382 local terms energy: -52.325839 where: bonds (distance) C4'-P energy: -13.427 bonds (distance) P-C4' energy: -15.032 flat angles C4'-P-C4' energy: -13.815 flat angles P-C4'-P energy: -6.269 tors. eta vs tors. theta energy: -3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -149.876610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.876610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.876610 (E_RNA) where: Base-Base interactions energy: -80.763 where: short stacking energy: -48.499 Base-Backbone interact. energy: -0.003 local terms energy: -69.110212 where: bonds (distance) C4'-P energy: -14.032 bonds (distance) P-C4' energy: -13.203 flat angles C4'-P-C4' energy: -14.712 flat angles P-C4'-P energy: -12.562 tors. eta vs tors. theta energy: -14.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -121.842076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.842076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.842076 (E_RNA) where: Base-Base interactions energy: -67.151 where: short stacking energy: -41.615 Base-Backbone interact. energy: 0.399 local terms energy: -55.090345 where: bonds (distance) C4'-P energy: -13.366 bonds (distance) P-C4' energy: -14.117 flat angles C4'-P-C4' energy: -12.082 flat angles P-C4'-P energy: -8.978 tors. eta vs tors. theta energy: -6.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -103.442499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.442499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.442499 (E_RNA) where: Base-Base interactions energy: -57.975 where: short stacking energy: -37.564 Base-Backbone interact. energy: -0.221 local terms energy: -45.245861 where: bonds (distance) C4'-P energy: -11.863 bonds (distance) P-C4' energy: -10.487 flat angles C4'-P-C4' energy: -14.363 flat angles P-C4'-P energy: -6.980 tors. eta vs tors. theta energy: -1.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -105.385346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.385346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.385346 (E_RNA) where: Base-Base interactions energy: -55.617 where: short stacking energy: -31.715 Base-Backbone interact. energy: -1.033 local terms energy: -48.735148 where: bonds (distance) C4'-P energy: -12.443 bonds (distance) P-C4' energy: -11.912 flat angles C4'-P-C4' energy: -13.574 flat angles P-C4'-P energy: -5.898 tors. eta vs tors. theta energy: -4.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -100.994114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.994114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.994114 (E_RNA) where: Base-Base interactions energy: -39.290 where: short stacking energy: -39.280 Base-Backbone interact. energy: -0.083 local terms energy: -61.620817 where: bonds (distance) C4'-P energy: -12.244 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -13.199 flat angles P-C4'-P energy: -9.420 tors. eta vs tors. theta energy: -12.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -74.821492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.821492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.821492 (E_RNA) where: Base-Base interactions energy: -30.178 where: short stacking energy: -29.866 Base-Backbone interact. energy: -0.092 local terms energy: -44.551916 where: bonds (distance) C4'-P energy: -14.425 bonds (distance) P-C4' energy: -11.942 flat angles C4'-P-C4' energy: -11.414 flat angles P-C4'-P energy: -4.754 tors. eta vs tors. theta energy: -2.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -80.008034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.008034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.008034 (E_RNA) where: Base-Base interactions energy: -34.765 where: short stacking energy: -22.078 Base-Backbone interact. energy: -0.348 local terms energy: -44.895368 where: bonds (distance) C4'-P energy: -12.951 bonds (distance) P-C4' energy: -13.498 flat angles C4'-P-C4' energy: -7.876 flat angles P-C4'-P energy: -8.329 tors. eta vs tors. theta energy: -2.241 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: 4 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -74.824023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.824023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.824023 (E_RNA) where: Base-Base interactions energy: -30.993 where: short stacking energy: -21.973 Base-Backbone interact. energy: -0.412 local terms energy: -43.418474 where: bonds (distance) C4'-P energy: -10.356 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -10.902 flat angles P-C4'-P energy: -9.050 tors. eta vs tors. theta energy: -0.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -155.968769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.968769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.968769 (E_RNA) where: Base-Base interactions energy: -89.261 where: short stacking energy: -53.530 Base-Backbone interact. energy: -0.332 local terms energy: -66.375194 where: bonds (distance) C4'-P energy: -13.489 bonds (distance) P-C4' energy: -15.112 flat angles C4'-P-C4' energy: -14.658 flat angles P-C4'-P energy: -10.186 tors. eta vs tors. theta energy: -12.930 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: 322 Temperature: 0.950000 Total energy: -131.809118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.809118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.809118 (E_RNA) where: Base-Base interactions energy: -73.446 where: short stacking energy: -42.387 Base-Backbone interact. energy: -0.143 local terms energy: -58.220537 where: bonds (distance) C4'-P energy: -14.239 bonds (distance) P-C4' energy: -12.744 flat angles C4'-P-C4' energy: -14.115 flat angles P-C4'-P energy: -7.429 tors. eta vs tors. theta energy: -9.694 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: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -138.401644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.401644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.401644 (E_RNA) where: Base-Base interactions energy: -82.810 where: short stacking energy: -53.013 Base-Backbone interact. energy: -0.009 local terms energy: -55.583133 where: bonds (distance) C4'-P energy: -13.183 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -13.132 flat angles P-C4'-P energy: -7.137 tors. eta vs tors. theta energy: -8.131 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: 2 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -134.919481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.919481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.919481 (E_RNA) where: Base-Base interactions energy: -83.679 where: short stacking energy: -51.652 Base-Backbone interact. energy: -0.003 local terms energy: -51.236577 where: bonds (distance) C4'-P energy: -12.272 bonds (distance) P-C4' energy: -13.144 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -7.894 tors. eta vs tors. theta energy: -10.223 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: 1 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -119.493918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.493918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.493918 (E_RNA) where: Base-Base interactions energy: -74.598 where: short stacking energy: -43.092 Base-Backbone interact. energy: -0.315 local terms energy: -44.581246 where: bonds (distance) C4'-P energy: -11.963 bonds (distance) P-C4' energy: -11.954 flat angles C4'-P-C4' energy: -8.787 flat angles P-C4'-P energy: -6.034 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: 6, replica: 9 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -99.772515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.772515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.772515 (E_RNA) where: Base-Base interactions energy: -40.433 where: short stacking energy: -40.433 Base-Backbone interact. energy: -0.006 local terms energy: -59.333320 where: bonds (distance) C4'-P energy: -11.576 bonds (distance) P-C4' energy: -16.256 flat angles C4'-P-C4' energy: -13.440 flat angles P-C4'-P energy: -7.735 tors. eta vs tors. theta energy: -10.326 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: 322 Temperature: 1.200000 Total energy: -90.248179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.248179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.248179 (E_RNA) where: Base-Base interactions energy: -43.982 where: short stacking energy: -40.982 Base-Backbone interact. energy: -0.103 local terms energy: -46.163640 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -10.128 flat angles C4'-P-C4' energy: -10.588 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -7.598 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: 8 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -102.733843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.733843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.733843 (E_RNA) where: Base-Base interactions energy: -61.405 where: short stacking energy: -38.110 Base-Backbone interact. energy: 0.220 local terms energy: -41.548781 where: bonds (distance) C4'-P energy: -10.116 bonds (distance) P-C4' energy: -10.975 flat angles C4'-P-C4' energy: -12.307 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -4.099 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: 4 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -79.681354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.681354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.681354 (E_RNA) where: Base-Base interactions energy: -31.279 where: short stacking energy: -31.279 Base-Backbone interact. energy: 0.074 local terms energy: -48.476946 where: bonds (distance) C4'-P energy: -8.030 bonds (distance) P-C4' energy: -12.049 flat angles C4'-P-C4' energy: -13.844 flat angles P-C4'-P energy: -5.940 tors. eta vs tors. theta energy: -8.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -78.188340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.188340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.188340 (E_RNA) where: Base-Base interactions energy: -37.061 where: short stacking energy: -30.640 Base-Backbone interact. energy: -0.207 local terms energy: -40.920677 where: bonds (distance) C4'-P energy: -14.396 bonds (distance) P-C4' energy: -8.834 flat angles C4'-P-C4' energy: -8.385 flat angles P-C4'-P energy: -7.513 tors. eta vs tors. theta energy: -1.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -171.129064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.129064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.129064 (E_RNA) where: Base-Base interactions energy: -105.499 where: short stacking energy: -68.841 Base-Backbone interact. energy: -0.047 local terms energy: -65.582426 where: bonds (distance) C4'-P energy: -15.535 bonds (distance) P-C4' energy: -10.418 flat angles C4'-P-C4' energy: -15.374 flat angles P-C4'-P energy: -7.809 tors. eta vs tors. theta energy: -16.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -143.415904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.415904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.415904 (E_RNA) where: Base-Base interactions energy: -84.349 where: short stacking energy: -48.038 Base-Backbone interact. energy: -0.001 local terms energy: -59.066575 where: bonds (distance) C4'-P energy: -13.155 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -9.515 tors. eta vs tors. theta energy: -8.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -148.135166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.135166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.135166 (E_RNA) where: Base-Base interactions energy: -92.810 where: short stacking energy: -53.865 Base-Backbone interact. energy: -0.066 local terms energy: -55.258730 where: bonds (distance) C4'-P energy: -9.962 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -10.374 flat angles P-C4'-P energy: -7.429 tors. eta vs tors. theta energy: -11.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -128.679129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.679129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.679129 (E_RNA) where: Base-Base interactions energy: -74.010 where: short stacking energy: -40.570 Base-Backbone interact. energy: -0.100 local terms energy: -54.568878 where: bonds (distance) C4'-P energy: -14.330 bonds (distance) P-C4' energy: -15.351 flat angles C4'-P-C4' energy: -14.732 flat angles P-C4'-P energy: -6.084 tors. eta vs tors. theta energy: -4.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -136.095344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.095344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.095344 (E_RNA) where: Base-Base interactions energy: -78.012 where: short stacking energy: -48.344 Base-Backbone interact. energy: -0.099 local terms energy: -57.984138 where: bonds (distance) C4'-P energy: -15.642 bonds (distance) P-C4' energy: -10.167 flat angles C4'-P-C4' energy: -11.834 flat angles P-C4'-P energy: -9.685 tors. eta vs tors. theta energy: -10.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -104.701657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.701657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.701657 (E_RNA) where: Base-Base interactions energy: -43.642 where: short stacking energy: -43.642 Base-Backbone interact. energy: -0.003 local terms energy: -61.056731 where: bonds (distance) C4'-P energy: -15.551 bonds (distance) P-C4' energy: -11.982 flat angles C4'-P-C4' energy: -11.961 flat angles P-C4'-P energy: -8.916 tors. eta vs tors. theta energy: -12.646 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: 7, replica: 9 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -79.803657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.803657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.803657 (E_RNA) where: Base-Base interactions energy: -34.136 where: short stacking energy: -34.136 Base-Backbone interact. energy: -0.125 local terms energy: -45.542711 where: bonds (distance) C4'-P energy: -12.640 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -10.485 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -2.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -106.373704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.373704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.373704 (E_RNA) where: Base-Base interactions energy: -61.113 where: short stacking energy: -32.754 Base-Backbone interact. energy: -0.168 local terms energy: -45.092692 where: bonds (distance) C4'-P energy: -5.528 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -12.155 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -7.438 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: 4 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -79.539708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.539708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.539708 (E_RNA) where: Base-Base interactions energy: -34.897 where: short stacking energy: -33.171 Base-Backbone interact. energy: -0.036 local terms energy: -44.607019 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -10.713 flat angles C4'-P-C4' energy: -9.432 flat angles P-C4'-P energy: -7.012 tors. eta vs tors. theta energy: -4.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -67.571934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.571934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.571934 (E_RNA) where: Base-Base interactions energy: -32.299 where: short stacking energy: -30.167 Base-Backbone interact. energy: -0.126 local terms energy: -35.147387 where: bonds (distance) C4'-P energy: -9.565 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -7.443 flat angles P-C4'-P energy: -6.856 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -164.461994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.461994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.461994 (E_RNA) where: Base-Base interactions energy: -103.794 where: short stacking energy: -67.930 Base-Backbone interact. energy: -0.307 local terms energy: -60.360779 where: bonds (distance) C4'-P energy: -13.079 bonds (distance) P-C4' energy: -8.671 flat angles C4'-P-C4' energy: -15.315 flat angles P-C4'-P energy: -8.097 tors. eta vs tors. theta energy: -15.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -156.891676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.891676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.891676 (E_RNA) where: Base-Base interactions energy: -96.129 where: short stacking energy: -61.276 Base-Backbone interact. energy: -0.003 local terms energy: -60.759677 where: bonds (distance) C4'-P energy: -12.898 bonds (distance) P-C4' energy: -12.780 flat angles C4'-P-C4' energy: -14.326 flat angles P-C4'-P energy: -8.479 tors. eta vs tors. theta energy: -12.277 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: 1 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -135.988759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.988759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.988759 (E_RNA) where: Base-Base interactions energy: -78.334 where: short stacking energy: -49.785 Base-Backbone interact. energy: -0.008 local terms energy: -57.646266 where: bonds (distance) C4'-P energy: -15.117 bonds (distance) P-C4' energy: -14.179 flat angles C4'-P-C4' energy: -13.852 flat angles P-C4'-P energy: -5.796 tors. eta vs tors. theta energy: -8.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -131.310277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.310277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.310277 (E_RNA) where: Base-Base interactions energy: -80.374 where: short stacking energy: -43.575 Base-Backbone interact. energy: -0.676 local terms energy: -50.260586 where: bonds (distance) C4'-P energy: -10.443 bonds (distance) P-C4' energy: -9.486 flat angles C4'-P-C4' energy: -13.071 flat angles P-C4'-P energy: -10.266 tors. eta vs tors. theta energy: -6.995 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: 2 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -143.943184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.943184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.943184 (E_RNA) where: Base-Base interactions energy: -80.966 where: short stacking energy: -49.312 Base-Backbone interact. energy: -0.074 local terms energy: -62.902851 where: bonds (distance) C4'-P energy: -13.747 bonds (distance) P-C4' energy: -12.432 flat angles C4'-P-C4' energy: -12.967 flat angles P-C4'-P energy: -9.602 tors. eta vs tors. theta energy: -14.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -95.031936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.031936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.031936 (E_RNA) where: Base-Base interactions energy: -42.692 where: short stacking energy: -42.692 Base-Backbone interact. energy: -0.200 local terms energy: -52.139379 where: bonds (distance) C4'-P energy: -9.647 bonds (distance) P-C4' energy: -11.800 flat angles C4'-P-C4' energy: -11.899 flat angles P-C4'-P energy: -8.486 tors. eta vs tors. theta energy: -10.307 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: 324 Temperature: 1.200000 Total energy: -114.733876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.733876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.733876 (E_RNA) where: Base-Base interactions energy: -69.661 where: short stacking energy: -43.142 Base-Backbone interact. energy: -0.673 local terms energy: -44.400054 where: bonds (distance) C4'-P energy: -11.544 bonds (distance) P-C4' energy: -8.517 flat angles C4'-P-C4' energy: -9.703 flat angles P-C4'-P energy: -9.837 tors. eta vs tors. theta energy: -4.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -85.990323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.990323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.990323 (E_RNA) where: Base-Base interactions energy: -34.919 where: short stacking energy: -29.247 Base-Backbone interact. energy: -0.009 local terms energy: -51.061542 where: bonds (distance) C4'-P energy: -13.129 bonds (distance) P-C4' energy: -12.091 flat angles C4'-P-C4' energy: -10.246 flat angles P-C4'-P energy: -9.984 tors. eta vs tors. theta energy: -5.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -85.033945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.033945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.033945 (E_RNA) where: Base-Base interactions energy: -33.238 where: short stacking energy: -33.238 Base-Backbone interact. energy: -0.101 local terms energy: -51.694775 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -11.035 flat angles P-C4'-P energy: -7.031 tors. eta vs tors. theta energy: -5.715 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: 10, replica: 4 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -69.152735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.152735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.152735 (E_RNA) where: Base-Base interactions energy: -25.492 where: short stacking energy: -26.369 Base-Backbone interact. energy: -0.087 local terms energy: -43.573278 where: bonds (distance) C4'-P energy: -12.211 bonds (distance) P-C4' energy: -16.249 flat angles C4'-P-C4' energy: -8.711 flat angles P-C4'-P energy: -6.538 tors. eta vs tors. theta energy: 0.136 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: 6 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -160.838145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.838145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.838145 (E_RNA) where: Base-Base interactions energy: -98.508 where: short stacking energy: -63.797 Base-Backbone interact. energy: -0.011 local terms energy: -62.318841 where: bonds (distance) C4'-P energy: -12.464 bonds (distance) P-C4' energy: -13.319 flat angles C4'-P-C4' energy: -11.756 flat angles P-C4'-P energy: -10.083 tors. eta vs tors. theta energy: -14.698 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: 1 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -137.436630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.436630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.436630 (E_RNA) where: Base-Base interactions energy: -83.018 where: short stacking energy: -50.627 Base-Backbone interact. energy: -0.092 local terms energy: -54.326827 where: bonds (distance) C4'-P energy: -12.091 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -11.746 flat angles P-C4'-P energy: -7.811 tors. eta vs tors. theta energy: -8.806 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: 3 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -146.779474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.779474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.779474 (E_RNA) where: Base-Base interactions energy: -84.054 where: short stacking energy: -53.114 Base-Backbone interact. energy: 0.541 local terms energy: -63.266465 where: bonds (distance) C4'-P energy: -15.021 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -12.828 flat angles P-C4'-P energy: -11.990 tors. eta vs tors. theta energy: -9.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -134.365513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.365513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.365513 (E_RNA) where: Base-Base interactions energy: -71.319 where: short stacking energy: -46.393 Base-Backbone interact. energy: -0.792 local terms energy: -62.254458 where: bonds (distance) C4'-P energy: -13.929 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -12.720 flat angles P-C4'-P energy: -10.671 tors. eta vs tors. theta energy: -10.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -117.309482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.309482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.309482 (E_RNA) where: Base-Base interactions energy: -69.889 where: short stacking energy: -43.330 Base-Backbone interact. energy: -0.246 local terms energy: -47.174917 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -12.268 flat angles P-C4'-P energy: -6.040 tors. eta vs tors. theta energy: -7.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -100.788890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.788890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.788890 (E_RNA) where: Base-Base interactions energy: -55.227 where: short stacking energy: -33.999 Base-Backbone interact. energy: -0.186 local terms energy: -45.376076 where: bonds (distance) C4'-P energy: -12.803 bonds (distance) P-C4' energy: -10.346 flat angles C4'-P-C4' energy: -13.318 flat angles P-C4'-P energy: -5.070 tors. eta vs tors. theta energy: -3.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -87.519466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.519466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.519466 (E_RNA) where: Base-Base interactions energy: -44.293 where: short stacking energy: -36.789 Base-Backbone interact. energy: -0.173 local terms energy: -43.053200 where: bonds (distance) C4'-P energy: -11.673 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: -4.902 tors. eta vs tors. theta energy: -4.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -88.056856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.056856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.056856 (E_RNA) where: Base-Base interactions energy: -43.755 where: short stacking energy: -43.720 Base-Backbone interact. energy: 0.132 local terms energy: -44.433514 where: bonds (distance) C4'-P energy: -9.012 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -9.403 flat angles P-C4'-P energy: -6.156 tors. eta vs tors. theta energy: -3.864 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: 9 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -81.136696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.136696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.136696 (E_RNA) where: Base-Base interactions energy: -43.056 where: short stacking energy: -33.174 Base-Backbone interact. energy: 1.020 local terms energy: -39.100678 where: bonds (distance) C4'-P energy: -8.786 bonds (distance) P-C4' energy: -10.635 flat angles C4'-P-C4' energy: -11.316 flat angles P-C4'-P energy: -6.920 tors. eta vs tors. theta energy: -1.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -77.761012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.761012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.761012 (E_RNA) where: Base-Base interactions energy: -43.208 where: short stacking energy: -27.340 Base-Backbone interact. energy: -0.066 local terms energy: -34.486959 where: bonds (distance) C4'-P energy: -11.216 bonds (distance) P-C4' energy: -7.197 flat angles C4'-P-C4' energy: -8.191 flat angles P-C4'-P energy: -6.893 tors. eta vs tors. theta energy: -0.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -156.312114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.312114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.312114 (E_RNA) where: Base-Base interactions energy: -90.552 where: short stacking energy: -56.569 Base-Backbone interact. energy: -0.009 local terms energy: -65.751091 where: bonds (distance) C4'-P energy: -13.424 bonds (distance) P-C4' energy: -14.271 flat angles C4'-P-C4' energy: -14.982 flat angles P-C4'-P energy: -11.460 tors. eta vs tors. theta energy: -11.615 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: 1 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -132.155617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.155617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.155617 (E_RNA) where: Base-Base interactions energy: -80.423 where: short stacking energy: -55.733 Base-Backbone interact. energy: -0.234 local terms energy: -51.498902 where: bonds (distance) C4'-P energy: -8.692 bonds (distance) P-C4' energy: -14.775 flat angles C4'-P-C4' energy: -12.825 flat angles P-C4'-P energy: -7.699 tors. eta vs tors. theta energy: -7.508 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: 3, replica: 2 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -150.029791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.029791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.029791 (E_RNA) where: Base-Base interactions energy: -94.325 where: short stacking energy: -59.302 Base-Backbone interact. energy: -0.089 local terms energy: -55.615976 where: bonds (distance) C4'-P energy: -12.500 bonds (distance) P-C4' energy: -8.865 flat angles C4'-P-C4' energy: -13.613 flat angles P-C4'-P energy: -7.806 tors. eta vs tors. theta energy: -12.832 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: 3 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -131.338595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.338595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.338595 (E_RNA) where: Base-Base interactions energy: -76.457 where: short stacking energy: -39.991 Base-Backbone interact. energy: -0.098 local terms energy: -54.783686 where: bonds (distance) C4'-P energy: -12.993 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -13.720 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -9.667 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: 10 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -124.971347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.971347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.971347 (E_RNA) where: Base-Base interactions energy: -73.282 where: short stacking energy: -44.044 Base-Backbone interact. energy: -0.069 local terms energy: -51.620317 where: bonds (distance) C4'-P energy: -13.142 bonds (distance) P-C4' energy: -11.596 flat angles C4'-P-C4' energy: -12.332 flat angles P-C4'-P energy: -6.501 tors. eta vs tors. theta energy: -8.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -91.548969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.548969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.548969 (E_RNA) where: Base-Base interactions energy: -51.532 where: short stacking energy: -44.776 Base-Backbone interact. energy: -0.277 local terms energy: -39.739893 where: bonds (distance) C4'-P energy: -7.537 bonds (distance) P-C4' energy: -8.377 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -7.187 tors. eta vs tors. theta energy: -9.818 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: 5 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -101.472812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.472812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.472812 (E_RNA) where: Base-Base interactions energy: -54.595 where: short stacking energy: -41.041 Base-Backbone interact. energy: -0.092 local terms energy: -46.785642 where: bonds (distance) C4'-P energy: -9.297 bonds (distance) P-C4' energy: -11.837 flat angles C4'-P-C4' energy: -10.491 flat angles P-C4'-P energy: -8.561 tors. eta vs tors. theta energy: -6.599 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: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -84.261802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.261802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.261802 (E_RNA) where: Base-Base interactions energy: -39.018 where: short stacking energy: -27.848 Base-Backbone interact. energy: -0.881 local terms energy: -44.363198 where: bonds (distance) C4'-P energy: -8.104 bonds (distance) P-C4' energy: -12.501 flat angles C4'-P-C4' energy: -11.347 flat angles P-C4'-P energy: -9.360 tors. eta vs tors. theta energy: -3.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -86.457328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.457328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.457328 (E_RNA) where: Base-Base interactions energy: -30.853 where: short stacking energy: -30.853 Base-Backbone interact. energy: -0.022 local terms energy: -55.582171 where: bonds (distance) C4'-P energy: -15.411 bonds (distance) P-C4' energy: -9.850 flat angles C4'-P-C4' energy: -12.069 flat angles P-C4'-P energy: -11.096 tors. eta vs tors. theta energy: -7.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -77.102749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.102749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.102749 (E_RNA) where: Base-Base interactions energy: -31.452 where: short stacking energy: -25.219 Base-Backbone interact. energy: -0.069 local terms energy: -45.582027 where: bonds (distance) C4'-P energy: -10.179 bonds (distance) P-C4' energy: -12.737 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -11.373 tors. eta vs tors. theta energy: -6.064 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: 6 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -154.522855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.522855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.522855 (E_RNA) where: Base-Base interactions energy: -96.612 where: short stacking energy: -51.407 Base-Backbone interact. energy: -0.012 local terms energy: -57.899702 where: bonds (distance) C4'-P energy: -11.565 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -11.851 flat angles P-C4'-P energy: -10.121 tors. eta vs tors. theta energy: -9.290 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: 2 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -168.775338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.775338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.775338 (E_RNA) where: Base-Base interactions energy: -105.979 where: short stacking energy: -61.806 Base-Backbone interact. energy: 0.462 local terms energy: -63.258266 where: bonds (distance) C4'-P energy: -10.862 bonds (distance) P-C4' energy: -12.588 flat angles C4'-P-C4' energy: -13.476 flat angles P-C4'-P energy: -10.530 tors. eta vs tors. theta energy: -15.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -134.052404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.052404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.052404 (E_RNA) where: Base-Base interactions energy: -76.758 where: short stacking energy: -51.254 Base-Backbone interact. energy: -0.030 local terms energy: -57.264603 where: bonds (distance) C4'-P energy: -12.376 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -13.101 flat angles P-C4'-P energy: -7.925 tors. eta vs tors. theta energy: -8.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -138.051809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.051809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.051809 (E_RNA) where: Base-Base interactions energy: -77.600 where: short stacking energy: -46.824 Base-Backbone interact. energy: -0.024 local terms energy: -60.427315 where: bonds (distance) C4'-P energy: -13.394 bonds (distance) P-C4' energy: -14.025 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -8.377 tors. eta vs tors. theta energy: -10.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -135.304076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.304076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.304076 (E_RNA) where: Base-Base interactions energy: -77.014 where: short stacking energy: -47.183 Base-Backbone interact. energy: 0.878 local terms energy: -59.167911 where: bonds (distance) C4'-P energy: -13.137 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -11.804 flat angles P-C4'-P energy: -10.593 tors. eta vs tors. theta energy: -8.146 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: 5 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -90.202992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.202992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.202992 (E_RNA) where: Base-Base interactions energy: -37.318 where: short stacking energy: -35.980 Base-Backbone interact. energy: -0.279 local terms energy: -52.605951 where: bonds (distance) C4'-P energy: -12.360 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -11.106 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: -9.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -96.061477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.061477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.061477 (E_RNA) where: Base-Base interactions energy: -45.109 where: short stacking energy: -43.107 Base-Backbone interact. energy: -0.031 local terms energy: -50.921274 where: bonds (distance) C4'-P energy: -12.169 bonds (distance) P-C4' energy: -12.979 flat angles C4'-P-C4' energy: -8.378 flat angles P-C4'-P energy: -10.301 tors. eta vs tors. theta energy: -7.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -79.749009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.749009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.749009 (E_RNA) where: Base-Base interactions energy: -36.024 where: short stacking energy: -36.024 Base-Backbone interact. energy: -0.183 local terms energy: -43.542068 where: bonds (distance) C4'-P energy: -8.455 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -14.776 flat angles P-C4'-P energy: -5.251 tors. eta vs tors. theta energy: -2.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -69.816450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.816450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.816450 (E_RNA) where: Base-Base interactions energy: -28.136 where: short stacking energy: -26.851 Base-Backbone interact. energy: -0.170 local terms energy: -41.510809 where: bonds (distance) C4'-P energy: -10.491 bonds (distance) P-C4' energy: -13.410 flat angles C4'-P-C4' energy: -12.662 flat angles P-C4'-P energy: -8.467 tors. eta vs tors. theta energy: 3.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -79.753590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.753590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.753590 (E_RNA) where: Base-Base interactions energy: -30.519 where: short stacking energy: -25.795 Base-Backbone interact. energy: -0.236 local terms energy: -48.998641 where: bonds (distance) C4'-P energy: -12.851 bonds (distance) P-C4' energy: -12.335 flat angles C4'-P-C4' energy: -8.555 flat angles P-C4'-P energy: -8.478 tors. eta vs tors. theta energy: -6.780 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: 1, replica: 6 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -173.351991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.351991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.351991 (E_RNA) where: Base-Base interactions energy: -106.580 where: short stacking energy: -67.610 Base-Backbone interact. energy: -0.697 local terms energy: -66.074791 where: bonds (distance) C4'-P energy: -14.869 bonds (distance) P-C4' energy: -15.014 flat angles C4'-P-C4' energy: -11.516 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: -18.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -158.357727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.357727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.357727 (E_RNA) where: Base-Base interactions energy: -94.714 where: short stacking energy: -59.366 Base-Backbone interact. energy: 0.303 local terms energy: -63.945894 where: bonds (distance) C4'-P energy: -13.900 bonds (distance) P-C4' energy: -13.023 flat angles C4'-P-C4' energy: -15.028 flat angles P-C4'-P energy: -6.490 tors. eta vs tors. theta energy: -15.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -149.683409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.683409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.683409 (E_RNA) where: Base-Base interactions energy: -89.127 where: short stacking energy: -57.476 Base-Backbone interact. energy: -0.000 local terms energy: -60.555917 where: bonds (distance) C4'-P energy: -8.360 bonds (distance) P-C4' energy: -12.572 flat angles C4'-P-C4' energy: -14.495 flat angles P-C4'-P energy: -11.222 tors. eta vs tors. theta energy: -13.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -126.359747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.359747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.359747 (E_RNA) where: Base-Base interactions energy: -75.103 where: short stacking energy: -42.983 Base-Backbone interact. energy: -0.657 local terms energy: -50.598953 where: bonds (distance) C4'-P energy: -12.844 bonds (distance) P-C4' energy: -13.847 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: -10.459 tors. eta vs tors. theta energy: -6.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -131.078971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.078971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.078971 (E_RNA) where: Base-Base interactions energy: -74.991 where: short stacking energy: -48.137 Base-Backbone interact. energy: -0.421 local terms energy: -55.666741 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -12.774 flat angles C4'-P-C4' energy: -13.113 flat angles P-C4'-P energy: -9.443 tors. eta vs tors. theta energy: -7.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -88.549796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.549796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.549796 (E_RNA) where: Base-Base interactions energy: -32.856 where: short stacking energy: -22.303 Base-Backbone interact. energy: -0.738 local terms energy: -54.955387 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -15.240 flat angles C4'-P-C4' energy: -14.148 flat angles P-C4'-P energy: -8.174 tors. eta vs tors. theta energy: -3.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -98.206899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.206899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.206899 (E_RNA) where: Base-Base interactions energy: -48.326 where: short stacking energy: -43.243 Base-Backbone interact. energy: -0.047 local terms energy: -49.833980 where: bonds (distance) C4'-P energy: -9.152 bonds (distance) P-C4' energy: -10.962 flat angles C4'-P-C4' energy: -14.344 flat angles P-C4'-P energy: -7.010 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: 8, replica: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -92.256105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.256105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.256105 (E_RNA) where: Base-Base interactions energy: -40.918 where: short stacking energy: -35.514 Base-Backbone interact. energy: -0.346 local terms energy: -50.992264 where: bonds (distance) C4'-P energy: -11.780 bonds (distance) P-C4' energy: -10.692 flat angles C4'-P-C4' energy: -13.499 flat angles P-C4'-P energy: -9.503 tors. eta vs tors. theta energy: -5.518 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: 7 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -76.994640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.994640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.994640 (E_RNA) where: Base-Base interactions energy: -38.090 where: short stacking energy: -24.758 Base-Backbone interact. energy: -0.198 local terms energy: -38.706206 where: bonds (distance) C4'-P energy: -10.295 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -7.979 tors. eta vs tors. theta energy: -1.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -76.588477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.588477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.588477 (E_RNA) where: Base-Base interactions energy: -36.619 where: short stacking energy: -20.933 Base-Backbone interact. energy: 0.656 local terms energy: -40.625496 where: bonds (distance) C4'-P energy: -13.304 bonds (distance) P-C4' energy: -11.557 flat angles C4'-P-C4' energy: -10.156 flat angles P-C4'-P energy: -6.979 tors. eta vs tors. theta energy: 1.371 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: 329 Temperature: 0.900000 Total energy: -166.192014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.192014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.192014 (E_RNA) where: Base-Base interactions energy: -102.201 where: short stacking energy: -55.263 Base-Backbone interact. energy: -0.022 local terms energy: -63.969180 where: bonds (distance) C4'-P energy: -11.622 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -11.144 flat angles P-C4'-P energy: -11.817 tors. eta vs tors. theta energy: -14.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -148.898185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.898185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.898185 (E_RNA) where: Base-Base interactions energy: -84.564 where: short stacking energy: -46.509 Base-Backbone interact. energy: -0.802 local terms energy: -63.532832 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -12.842 flat angles P-C4'-P energy: -10.334 tors. eta vs tors. theta energy: -13.711 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: 2 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -147.527612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.527612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.527612 (E_RNA) where: Base-Base interactions energy: -89.211 where: short stacking energy: -48.938 Base-Backbone interact. energy: -0.099 local terms energy: -58.217863 where: bonds (distance) C4'-P energy: -15.009 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -9.992 tors. eta vs tors. theta energy: -13.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -131.324525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.324525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.324525 (E_RNA) where: Base-Base interactions energy: -83.141 where: short stacking energy: -47.309 Base-Backbone interact. energy: -0.005 local terms energy: -48.177881 where: bonds (distance) C4'-P energy: -11.975 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -8.413 flat angles P-C4'-P energy: -7.516 tors. eta vs tors. theta energy: -6.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -133.653641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.653641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.653641 (E_RNA) where: Base-Base interactions energy: -76.571 where: short stacking energy: -48.452 Base-Backbone interact. energy: -2.087 local terms energy: -54.995348 where: bonds (distance) C4'-P energy: -12.513 bonds (distance) P-C4' energy: -12.582 flat angles C4'-P-C4' energy: -8.956 flat angles P-C4'-P energy: -7.842 tors. eta vs tors. theta energy: -13.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -99.311429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.311429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.311429 (E_RNA) where: Base-Base interactions energy: -54.147 where: short stacking energy: -34.277 Base-Backbone interact. energy: -0.656 local terms energy: -44.508792 where: bonds (distance) C4'-P energy: -12.720 bonds (distance) P-C4' energy: -11.578 flat angles C4'-P-C4' energy: -12.342 flat angles P-C4'-P energy: -5.605 tors. eta vs tors. theta energy: -2.263 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: 5 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -93.352687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.352687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.352687 (E_RNA) where: Base-Base interactions energy: -43.337 where: short stacking energy: -32.796 Base-Backbone interact. energy: -0.285 local terms energy: -49.731495 where: bonds (distance) C4'-P energy: -11.547 bonds (distance) P-C4' energy: -15.415 flat angles C4'-P-C4' energy: -12.131 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -6.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -93.307198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.307198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.307198 (E_RNA) where: Base-Base interactions energy: -43.424 where: short stacking energy: -39.786 Base-Backbone interact. energy: -0.401 local terms energy: -49.481889 where: bonds (distance) C4'-P energy: -10.476 bonds (distance) P-C4' energy: -10.113 flat angles C4'-P-C4' energy: -13.683 flat angles P-C4'-P energy: -7.307 tors. eta vs tors. theta energy: -7.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -87.789187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.789187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.789187 (E_RNA) where: Base-Base interactions energy: -37.356 where: short stacking energy: -37.142 Base-Backbone interact. energy: -0.016 local terms energy: -50.416566 where: bonds (distance) C4'-P energy: -9.375 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -13.173 flat angles P-C4'-P energy: -7.101 tors. eta vs tors. theta energy: -5.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -75.435659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.435659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.435659 (E_RNA) where: Base-Base interactions energy: -31.932 where: short stacking energy: -31.211 Base-Backbone interact. energy: 0.217 local terms energy: -43.720111 where: bonds (distance) C4'-P energy: -11.937 bonds (distance) P-C4' energy: -12.547 flat angles C4'-P-C4' energy: -10.984 flat angles P-C4'-P energy: -7.362 tors. eta vs tors. theta energy: -0.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -157.243139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.243139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.243139 (E_RNA) where: Base-Base interactions energy: -95.055 where: short stacking energy: -61.553 Base-Backbone interact. energy: -0.001 local terms energy: -62.187781 where: bonds (distance) C4'-P energy: -13.371 bonds (distance) P-C4' energy: -10.817 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -7.861 tors. eta vs tors. theta energy: -15.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -144.583454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.583454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.583454 (E_RNA) where: Base-Base interactions energy: -80.147 where: short stacking energy: -52.712 Base-Backbone interact. energy: -0.010 local terms energy: -64.426482 where: bonds (distance) C4'-P energy: -14.360 bonds (distance) P-C4' energy: -10.796 flat angles C4'-P-C4' energy: -16.259 flat angles P-C4'-P energy: -10.855 tors. eta vs tors. theta energy: -12.156 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: 2 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -148.887597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.887597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.887597 (E_RNA) where: Base-Base interactions energy: -86.161 where: short stacking energy: -52.229 Base-Backbone interact. energy: -0.116 local terms energy: -62.610107 where: bonds (distance) C4'-P energy: -13.688 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -13.450 flat angles P-C4'-P energy: -9.477 tors. eta vs tors. theta energy: -12.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -147.516896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.516896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.516896 (E_RNA) where: Base-Base interactions energy: -82.246 where: short stacking energy: -54.913 Base-Backbone interact. energy: -0.001 local terms energy: -65.270790 where: bonds (distance) C4'-P energy: -14.326 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -14.917 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -16.746 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: 1 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -138.189666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.189666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.189666 (E_RNA) where: Base-Base interactions energy: -82.178 where: short stacking energy: -53.015 Base-Backbone interact. energy: -0.013 local terms energy: -55.999323 where: bonds (distance) C4'-P energy: -10.749 bonds (distance) P-C4' energy: -7.447 flat angles C4'-P-C4' energy: -14.766 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: -14.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -128.299117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.299117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.299117 (E_RNA) where: Base-Base interactions energy: -71.446 where: short stacking energy: -42.098 Base-Backbone interact. energy: -1.041 local terms energy: -55.811847 where: bonds (distance) C4'-P energy: -14.645 bonds (distance) P-C4' energy: -11.265 flat angles C4'-P-C4' energy: -9.204 flat angles P-C4'-P energy: -9.142 tors. eta vs tors. theta energy: -11.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -82.181842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.181842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.181842 (E_RNA) where: Base-Base interactions energy: -30.116 where: short stacking energy: -29.925 Base-Backbone interact. energy: -0.235 local terms energy: -51.830499 where: bonds (distance) C4'-P energy: -13.105 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -12.972 flat angles P-C4'-P energy: -6.936 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -79.251502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.251502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.251502 (E_RNA) where: Base-Base interactions energy: -34.529 where: short stacking energy: -32.346 Base-Backbone interact. energy: -0.075 local terms energy: -44.646974 where: bonds (distance) C4'-P energy: -12.020 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -11.341 flat angles P-C4'-P energy: -7.899 tors. eta vs tors. theta energy: -5.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -88.058352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.058352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.058352 (E_RNA) where: Base-Base interactions energy: -39.789 where: short stacking energy: -39.028 Base-Backbone interact. energy: -0.019 local terms energy: -48.250802 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -15.685 flat angles C4'-P-C4' energy: -9.503 flat angles P-C4'-P energy: -8.234 tors. eta vs tors. theta energy: -8.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -77.363447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.363447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.363447 (E_RNA) where: Base-Base interactions energy: -33.298 where: short stacking energy: -33.298 Base-Backbone interact. energy: 1.099 local terms energy: -45.164832 where: bonds (distance) C4'-P energy: -11.262 bonds (distance) P-C4' energy: -10.790 flat angles C4'-P-C4' energy: -8.876 flat angles P-C4'-P energy: -10.331 tors. eta vs tors. theta energy: -3.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -164.172703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.172703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.172703 (E_RNA) where: Base-Base interactions energy: -95.758 where: short stacking energy: -63.545 Base-Backbone interact. energy: 0.031 local terms energy: -68.445505 where: bonds (distance) C4'-P energy: -12.993 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -14.515 flat angles P-C4'-P energy: -8.358 tors. eta vs tors. theta energy: -17.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -147.395029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.395029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.395029 (E_RNA) where: Base-Base interactions energy: -86.086 where: short stacking energy: -51.328 Base-Backbone interact. energy: -0.682 local terms energy: -60.627528 where: bonds (distance) C4'-P energy: -11.207 bonds (distance) P-C4' energy: -15.112 flat angles C4'-P-C4' energy: -13.570 flat angles P-C4'-P energy: -8.180 tors. eta vs tors. theta energy: -12.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -154.649919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.649919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.649919 (E_RNA) where: Base-Base interactions energy: -97.869 where: short stacking energy: -59.241 Base-Backbone interact. energy: -0.001 local terms energy: -56.779810 where: bonds (distance) C4'-P energy: -12.906 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -13.664 flat angles P-C4'-P energy: -7.878 tors. eta vs tors. theta energy: -14.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -131.909347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.909347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.909347 (E_RNA) where: Base-Base interactions energy: -74.648 where: short stacking energy: -48.325 Base-Backbone interact. energy: -0.005 local terms energy: -57.256665 where: bonds (distance) C4'-P energy: -10.782 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -14.425 flat angles P-C4'-P energy: -8.118 tors. eta vs tors. theta energy: -9.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -143.857900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.857900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.857900 (E_RNA) where: Base-Base interactions energy: -90.391 where: short stacking energy: -59.520 Base-Backbone interact. energy: 3.096 local terms energy: -56.562744 where: bonds (distance) C4'-P energy: -13.071 bonds (distance) P-C4' energy: -14.164 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -10.411 tors. eta vs tors. theta energy: -12.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -130.824840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.824840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.824840 (E_RNA) where: Base-Base interactions energy: -76.144 where: short stacking energy: -44.832 Base-Backbone interact. energy: -0.503 local terms energy: -54.178453 where: bonds (distance) C4'-P energy: -13.937 bonds (distance) P-C4' energy: -7.790 flat angles C4'-P-C4' energy: -10.635 flat angles P-C4'-P energy: -9.396 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: 7, replica: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -95.868755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.868755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.868755 (E_RNA) where: Base-Base interactions energy: -41.428 where: short stacking energy: -37.777 Base-Backbone interact. energy: -0.042 local terms energy: -54.399130 where: bonds (distance) C4'-P energy: -14.128 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -11.812 flat angles P-C4'-P energy: -8.802 tors. eta vs tors. theta energy: -4.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -81.121869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.121869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.121869 (E_RNA) where: Base-Base interactions energy: -33.552 where: short stacking energy: -33.552 Base-Backbone interact. energy: -0.159 local terms energy: -47.411233 where: bonds (distance) C4'-P energy: -8.335 bonds (distance) P-C4' energy: -12.271 flat angles C4'-P-C4' energy: -15.540 flat angles P-C4'-P energy: -6.530 tors. eta vs tors. theta energy: -4.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -80.592896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.592896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.592896 (E_RNA) where: Base-Base interactions energy: -32.410 where: short stacking energy: -24.949 Base-Backbone interact. energy: -0.056 local terms energy: -48.127172 where: bonds (distance) C4'-P energy: -15.319 bonds (distance) P-C4' energy: -12.774 flat angles C4'-P-C4' energy: -11.927 flat angles P-C4'-P energy: -6.583 tors. eta vs tors. theta energy: -1.524 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: 4 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -82.627142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.627142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.627142 (E_RNA) where: Base-Base interactions energy: -27.563 where: short stacking energy: -27.563 Base-Backbone interact. energy: -0.002 local terms energy: -55.061332 where: bonds (distance) C4'-P energy: -12.834 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -9.271 flat angles P-C4'-P energy: -9.108 tors. eta vs tors. theta energy: -9.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -148.952635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.952635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.952635 (E_RNA) where: Base-Base interactions energy: -87.229 where: short stacking energy: -56.268 Base-Backbone interact. energy: -0.085 local terms energy: -61.638648 where: bonds (distance) C4'-P energy: -11.601 bonds (distance) P-C4' energy: -15.245 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -10.937 tors. eta vs tors. theta energy: -11.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -150.512129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.512129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.512129 (E_RNA) where: Base-Base interactions energy: -90.714 where: short stacking energy: -54.123 Base-Backbone interact. energy: 2.106 local terms energy: -61.904147 where: bonds (distance) C4'-P energy: -11.946 bonds (distance) P-C4' energy: -16.048 flat angles C4'-P-C4' energy: -11.236 flat angles P-C4'-P energy: -10.965 tors. eta vs tors. theta energy: -11.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -150.719359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.719359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.719359 (E_RNA) where: Base-Base interactions energy: -91.212 where: short stacking energy: -57.202 Base-Backbone interact. energy: -0.512 local terms energy: -58.995571 where: bonds (distance) C4'-P energy: -9.614 bonds (distance) P-C4' energy: -11.684 flat angles C4'-P-C4' energy: -13.874 flat angles P-C4'-P energy: -7.051 tors. eta vs tors. theta energy: -16.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -139.992390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.992390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.992390 (E_RNA) where: Base-Base interactions energy: -82.774 where: short stacking energy: -53.411 Base-Backbone interact. energy: -0.086 local terms energy: -57.132835 where: bonds (distance) C4'-P energy: -9.875 bonds (distance) P-C4' energy: -15.115 flat angles C4'-P-C4' energy: -11.755 flat angles P-C4'-P energy: -8.263 tors. eta vs tors. theta energy: -12.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -136.608748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.608748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.608748 (E_RNA) where: Base-Base interactions energy: -77.706 where: short stacking energy: -48.479 Base-Backbone interact. energy: -0.186 local terms energy: -58.716414 where: bonds (distance) C4'-P energy: -11.695 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -11.530 flat angles P-C4'-P energy: -10.065 tors. eta vs tors. theta energy: -11.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -121.316587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.316587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.316587 (E_RNA) where: Base-Base interactions energy: -77.268 where: short stacking energy: -45.196 Base-Backbone interact. energy: -0.018 local terms energy: -44.031237 where: bonds (distance) C4'-P energy: -11.440 bonds (distance) P-C4' energy: -13.415 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -5.650 tors. eta vs tors. theta energy: -6.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -88.500351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.500351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.500351 (E_RNA) where: Base-Base interactions energy: -36.101 where: short stacking energy: -36.101 Base-Backbone interact. energy: -0.144 local terms energy: -52.255291 where: bonds (distance) C4'-P energy: -13.440 bonds (distance) P-C4' energy: -14.272 flat angles C4'-P-C4' energy: -11.713 flat angles P-C4'-P energy: -5.559 tors. eta vs tors. theta energy: -7.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -93.667400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.667400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.667400 (E_RNA) where: Base-Base interactions energy: -38.923 where: short stacking energy: -34.739 Base-Backbone interact. energy: -0.229 local terms energy: -54.515185 where: bonds (distance) C4'-P energy: -12.108 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -11.407 flat angles P-C4'-P energy: -12.210 tors. eta vs tors. theta energy: -4.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -91.200038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.200038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.200038 (E_RNA) where: Base-Base interactions energy: -46.852 where: short stacking energy: -46.519 Base-Backbone interact. energy: -0.013 local terms energy: -44.334909 where: bonds (distance) C4'-P energy: -11.461 bonds (distance) P-C4' energy: -7.662 flat angles C4'-P-C4' energy: -7.982 flat angles P-C4'-P energy: -8.719 tors. eta vs tors. theta energy: -8.511 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: 7 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -69.409741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.409741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.409741 (E_RNA) where: Base-Base interactions energy: -29.354 where: short stacking energy: -26.749 Base-Backbone interact. energy: -0.208 local terms energy: -39.847789 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -5.747 flat angles C4'-P-C4' energy: -9.724 flat angles P-C4'-P energy: -9.316 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -155.811483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.811483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.811483 (E_RNA) where: Base-Base interactions energy: -89.396 where: short stacking energy: -56.001 Base-Backbone interact. energy: -0.010 local terms energy: -66.405421 where: bonds (distance) C4'-P energy: -13.420 bonds (distance) P-C4' energy: -15.513 flat angles C4'-P-C4' energy: -15.598 flat angles P-C4'-P energy: -9.230 tors. eta vs tors. theta energy: -12.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -171.192296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.192296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.192296 (E_RNA) where: Base-Base interactions energy: -103.489 where: short stacking energy: -65.890 Base-Backbone interact. energy: -0.007 local terms energy: -67.695848 where: bonds (distance) C4'-P energy: -12.735 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -15.664 flat angles P-C4'-P energy: -7.139 tors. eta vs tors. theta energy: -16.659 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: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -147.023221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.023221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.023221 (E_RNA) where: Base-Base interactions energy: -82.904 where: short stacking energy: -51.242 Base-Backbone interact. energy: -0.109 local terms energy: -64.010159 where: bonds (distance) C4'-P energy: -14.893 bonds (distance) P-C4' energy: -10.818 flat angles C4'-P-C4' energy: -14.144 flat angles P-C4'-P energy: -10.625 tors. eta vs tors. theta energy: -13.531 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: 10 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -149.111301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.111301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.111301 (E_RNA) where: Base-Base interactions energy: -85.618 where: short stacking energy: -52.317 Base-Backbone interact. energy: -0.001 local terms energy: -63.492576 where: bonds (distance) C4'-P energy: -12.853 bonds (distance) P-C4' energy: -10.472 flat angles C4'-P-C4' energy: -13.853 flat angles P-C4'-P energy: -8.599 tors. eta vs tors. theta energy: -17.715 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: 1 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -119.965388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.965388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.965388 (E_RNA) where: Base-Base interactions energy: -75.039 where: short stacking energy: -38.338 Base-Backbone interact. energy: -0.740 local terms energy: -44.185608 where: bonds (distance) C4'-P energy: -12.603 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -11.106 flat angles P-C4'-P energy: -6.367 tors. eta vs tors. theta energy: -6.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -113.428242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.428242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.428242 (E_RNA) where: Base-Base interactions energy: -71.969 where: short stacking energy: -43.003 Base-Backbone interact. energy: 0.918 local terms energy: -42.376967 where: bonds (distance) C4'-P energy: -11.875 bonds (distance) P-C4' energy: -8.925 flat angles C4'-P-C4' energy: -11.943 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -4.295 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: 9 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -92.933038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.933038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.933038 (E_RNA) where: Base-Base interactions energy: -37.633 where: short stacking energy: -37.633 Base-Backbone interact. energy: -0.071 local terms energy: -55.229087 where: bonds (distance) C4'-P energy: -12.099 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -13.817 flat angles P-C4'-P energy: -8.899 tors. eta vs tors. theta energy: -6.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -80.005970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.005970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.005970 (E_RNA) where: Base-Base interactions energy: -36.434 where: short stacking energy: -36.434 Base-Backbone interact. energy: -0.198 local terms energy: -43.373437 where: bonds (distance) C4'-P energy: -12.115 bonds (distance) P-C4' energy: -10.440 flat angles C4'-P-C4' energy: -13.556 flat angles P-C4'-P energy: -3.334 tors. eta vs tors. theta energy: -3.929 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: 4 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -85.476471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.476471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.476471 (E_RNA) where: Base-Base interactions energy: -43.356 where: short stacking energy: -40.108 Base-Backbone interact. energy: -0.103 local terms energy: -42.017356 where: bonds (distance) C4'-P energy: -10.038 bonds (distance) P-C4' energy: -8.359 flat angles C4'-P-C4' energy: -9.684 flat angles P-C4'-P energy: -6.008 tors. eta vs tors. theta energy: -7.929 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: 7 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -74.983421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.983421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.983421 (E_RNA) where: Base-Base interactions energy: -29.922 where: short stacking energy: -28.325 Base-Backbone interact. energy: -0.926 local terms energy: -44.134814 where: bonds (distance) C4'-P energy: -5.739 bonds (distance) P-C4' energy: -11.937 flat angles C4'-P-C4' energy: -14.251 flat angles P-C4'-P energy: -10.502 tors. eta vs tors. theta energy: -1.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -153.747557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.747557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.747557 (E_RNA) where: Base-Base interactions energy: -96.786 where: short stacking energy: -65.067 Base-Backbone interact. energy: -0.454 local terms energy: -56.507001 where: bonds (distance) C4'-P energy: -12.079 bonds (distance) P-C4' energy: -12.152 flat angles C4'-P-C4' energy: -13.357 flat angles P-C4'-P energy: -8.132 tors. eta vs tors. theta energy: -10.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -153.046045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.046045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.046045 (E_RNA) where: Base-Base interactions energy: -93.890 where: short stacking energy: -59.117 Base-Backbone interact. energy: 0.453 local terms energy: -59.609267 where: bonds (distance) C4'-P energy: -9.978 bonds (distance) P-C4' energy: -14.991 flat angles C4'-P-C4' energy: -12.080 flat angles P-C4'-P energy: -10.284 tors. eta vs tors. theta energy: -12.276 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: 3, replica: 10 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -151.240949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.240949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.240949 (E_RNA) where: Base-Base interactions energy: -84.166 where: short stacking energy: -54.317 Base-Backbone interact. energy: -0.267 local terms energy: -66.807406 where: bonds (distance) C4'-P energy: -13.590 bonds (distance) P-C4' energy: -13.177 flat angles C4'-P-C4' energy: -15.708 flat angles P-C4'-P energy: -10.581 tors. eta vs tors. theta energy: -13.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -153.287086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.287086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.287086 (E_RNA) where: Base-Base interactions energy: -90.338 where: short stacking energy: -60.336 Base-Backbone interact. energy: -0.001 local terms energy: -62.947366 where: bonds (distance) C4'-P energy: -13.378 bonds (distance) P-C4' energy: -11.005 flat angles C4'-P-C4' energy: -14.466 flat angles P-C4'-P energy: -10.192 tors. eta vs tors. theta energy: -13.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -127.147805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.147805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.147805 (E_RNA) where: Base-Base interactions energy: -70.032 where: short stacking energy: -44.529 Base-Backbone interact. energy: -0.875 local terms energy: -56.240955 where: bonds (distance) C4'-P energy: -10.500 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -14.378 flat angles P-C4'-P energy: -9.924 tors. eta vs tors. theta energy: -7.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -124.925079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.925079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.925079 (E_RNA) where: Base-Base interactions energy: -74.204 where: short stacking energy: -43.965 Base-Backbone interact. energy: -0.039 local terms energy: -50.682067 where: bonds (distance) C4'-P energy: -12.993 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -7.121 flat angles P-C4'-P energy: -6.790 tors. eta vs tors. theta energy: -8.492 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: 7, replica: 5 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -96.061938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.061938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.061938 (E_RNA) where: Base-Base interactions energy: -44.145 where: short stacking energy: -26.517 Base-Backbone interact. energy: -0.532 local terms energy: -51.385372 where: bonds (distance) C4'-P energy: -12.488 bonds (distance) P-C4' energy: -15.061 flat angles C4'-P-C4' energy: -9.867 flat angles P-C4'-P energy: -10.523 tors. eta vs tors. theta energy: -3.448 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: 8, replica: 9 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -78.142370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.142370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.142370 (E_RNA) where: Base-Base interactions energy: -23.977 where: short stacking energy: -22.858 Base-Backbone interact. energy: -0.035 local terms energy: -54.129937 where: bonds (distance) C4'-P energy: -13.436 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -12.499 flat angles P-C4'-P energy: -11.477 tors. eta vs tors. theta energy: -1.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -70.064774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.064774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.064774 (E_RNA) where: Base-Base interactions energy: -28.159 where: short stacking energy: -24.718 Base-Backbone interact. energy: -0.125 local terms energy: -41.781470 where: bonds (distance) C4'-P energy: -11.686 bonds (distance) P-C4' energy: -13.176 flat angles C4'-P-C4' energy: -12.092 flat angles P-C4'-P energy: -8.439 tors. eta vs tors. theta energy: 3.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -76.006786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.006786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.006786 (E_RNA) where: Base-Base interactions energy: -39.531 where: short stacking energy: -37.747 Base-Backbone interact. energy: -0.037 local terms energy: -36.437851 where: bonds (distance) C4'-P energy: -10.513 bonds (distance) P-C4' energy: -9.709 flat angles C4'-P-C4' energy: -8.165 flat angles P-C4'-P energy: -1.593 tors. eta vs tors. theta energy: -6.458 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: 2 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -156.339886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.339886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.339886 (E_RNA) where: Base-Base interactions energy: -97.253 where: short stacking energy: -64.726 Base-Backbone interact. energy: -0.473 local terms energy: -58.613926 where: bonds (distance) C4'-P energy: -12.947 bonds (distance) P-C4' energy: -12.130 flat angles C4'-P-C4' energy: -12.867 flat angles P-C4'-P energy: -8.507 tors. eta vs tors. theta energy: -12.163 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: 335 Temperature: 0.950000 Total energy: -150.890357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.890357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.890357 (E_RNA) where: Base-Base interactions energy: -89.875 where: short stacking energy: -59.891 Base-Backbone interact. energy: -0.204 local terms energy: -60.811104 where: bonds (distance) C4'-P energy: -13.259 bonds (distance) P-C4' energy: -13.001 flat angles C4'-P-C4' energy: -12.296 flat angles P-C4'-P energy: -9.037 tors. eta vs tors. theta energy: -13.218 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: 6 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -155.878218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.878218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.878218 (E_RNA) where: Base-Base interactions energy: -91.788 where: short stacking energy: -61.917 Base-Backbone interact. energy: -0.018 local terms energy: -64.072645 where: bonds (distance) C4'-P energy: -14.107 bonds (distance) P-C4' energy: -12.501 flat angles C4'-P-C4' energy: -12.640 flat angles P-C4'-P energy: -9.213 tors. eta vs tors. theta energy: -15.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -156.875363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.875363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.875363 (E_RNA) where: Base-Base interactions energy: -93.147 where: short stacking energy: -60.336 Base-Backbone interact. energy: -0.001 local terms energy: -63.727444 where: bonds (distance) C4'-P energy: -13.874 bonds (distance) P-C4' energy: -11.809 flat angles C4'-P-C4' energy: -12.468 flat angles P-C4'-P energy: -10.037 tors. eta vs tors. theta energy: -15.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -130.643866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.643866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.643866 (E_RNA) where: Base-Base interactions energy: -80.464 where: short stacking energy: -48.918 Base-Backbone interact. energy: 0.238 local terms energy: -50.418142 where: bonds (distance) C4'-P energy: -12.330 bonds (distance) P-C4' energy: -12.381 flat angles C4'-P-C4' energy: -13.135 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -7.996 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: 5 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -98.916236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.916236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.916236 (E_RNA) where: Base-Base interactions energy: -38.876 where: short stacking energy: -38.751 Base-Backbone interact. energy: -0.124 local terms energy: -59.916051 where: bonds (distance) C4'-P energy: -13.345 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -12.907 flat angles P-C4'-P energy: -9.872 tors. eta vs tors. theta energy: -9.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -126.707881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.707881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.707881 (E_RNA) where: Base-Base interactions energy: -75.450 where: short stacking energy: -46.289 Base-Backbone interact. energy: -0.010 local terms energy: -51.247862 where: bonds (distance) C4'-P energy: -10.200 bonds (distance) P-C4' energy: -15.746 flat angles C4'-P-C4' energy: -13.188 flat angles P-C4'-P energy: -6.931 tors. eta vs tors. theta energy: -5.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -82.070254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.070254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.070254 (E_RNA) where: Base-Base interactions energy: -36.205 where: short stacking energy: -36.205 Base-Backbone interact. energy: 0.602 local terms energy: -46.467521 where: bonds (distance) C4'-P energy: -7.386 bonds (distance) P-C4' energy: -13.811 flat angles C4'-P-C4' energy: -12.867 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -7.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -76.002078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.002078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.002078 (E_RNA) where: Base-Base interactions energy: -32.636 where: short stacking energy: -32.621 Base-Backbone interact. energy: -1.614 local terms energy: -41.752062 where: bonds (distance) C4'-P energy: -9.090 bonds (distance) P-C4' energy: -9.977 flat angles C4'-P-C4' energy: -13.512 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: -3.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -69.676975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.676975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.676975 (E_RNA) where: Base-Base interactions energy: -37.672 where: short stacking energy: -16.811 Base-Backbone interact. energy: -0.068 local terms energy: -31.936862 where: bonds (distance) C4'-P energy: -8.818 bonds (distance) P-C4' energy: -13.567 flat angles C4'-P-C4' energy: -7.383 flat angles P-C4'-P energy: -5.015 tors. eta vs tors. theta energy: 2.846 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: 2 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -152.497036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.497036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.497036 (E_RNA) where: Base-Base interactions energy: -92.867 where: short stacking energy: -61.354 Base-Backbone interact. energy: -0.469 local terms energy: -59.161750 where: bonds (distance) C4'-P energy: -13.609 bonds (distance) P-C4' energy: -11.954 flat angles C4'-P-C4' energy: -14.939 flat angles P-C4'-P energy: -6.575 tors. eta vs tors. theta energy: -12.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -145.629568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.629568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.629568 (E_RNA) where: Base-Base interactions energy: -81.864 where: short stacking energy: -58.291 Base-Backbone interact. energy: -0.090 local terms energy: -63.676163 where: bonds (distance) C4'-P energy: -13.196 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -13.759 flat angles P-C4'-P energy: -8.406 tors. eta vs tors. theta energy: -12.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -153.403515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.403515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.403515 (E_RNA) where: Base-Base interactions energy: -89.521 where: short stacking energy: -60.853 Base-Backbone interact. energy: -0.790 local terms energy: -63.092849 where: bonds (distance) C4'-P energy: -11.726 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -15.720 flat angles P-C4'-P energy: -7.926 tors. eta vs tors. theta energy: -14.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -138.464345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.464345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.464345 (E_RNA) where: Base-Base interactions energy: -76.302 where: short stacking energy: -48.526 Base-Backbone interact. energy: -0.001 local terms energy: -62.161032 where: bonds (distance) C4'-P energy: -13.337 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -14.580 flat angles P-C4'-P energy: -9.654 tors. eta vs tors. theta energy: -11.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -127.556921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.556921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.556921 (E_RNA) where: Base-Base interactions energy: -83.223 where: short stacking energy: -43.600 Base-Backbone interact. energy: 0.902 local terms energy: -45.235983 where: bonds (distance) C4'-P energy: -8.675 bonds (distance) P-C4' energy: -12.627 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -11.263 tors. eta vs tors. theta energy: -5.969 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: 5 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -84.582125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.582125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.582125 (E_RNA) where: Base-Base interactions energy: -35.653 where: short stacking energy: -29.750 Base-Backbone interact. energy: -0.251 local terms energy: -48.678495 where: bonds (distance) C4'-P energy: -9.557 bonds (distance) P-C4' energy: -15.247 flat angles C4'-P-C4' energy: -11.351 flat angles P-C4'-P energy: -7.001 tors. eta vs tors. theta energy: -5.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -125.252760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.252760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.252760 (E_RNA) where: Base-Base interactions energy: -63.898 where: short stacking energy: -39.127 Base-Backbone interact. energy: -0.122 local terms energy: -61.232700 where: bonds (distance) C4'-P energy: -14.156 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -12.615 flat angles P-C4'-P energy: -6.365 tors. eta vs tors. theta energy: -11.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -80.836473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.836473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.836473 (E_RNA) where: Base-Base interactions energy: -39.225 where: short stacking energy: -29.508 Base-Backbone interact. energy: -0.043 local terms energy: -41.567972 where: bonds (distance) C4'-P energy: -10.177 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -9.246 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -4.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -83.259539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.259539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.259539 (E_RNA) where: Base-Base interactions energy: -39.951 where: short stacking energy: -37.869 Base-Backbone interact. energy: -1.055 local terms energy: -42.253745 where: bonds (distance) C4'-P energy: -8.951 bonds (distance) P-C4' energy: -12.455 flat angles C4'-P-C4' energy: -11.598 flat angles P-C4'-P energy: -4.624 tors. eta vs tors. theta energy: -4.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -80.925126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.925126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.925126 (E_RNA) where: Base-Base interactions energy: -44.601 where: short stacking energy: -31.712 Base-Backbone interact. energy: -0.183 local terms energy: -36.141223 where: bonds (distance) C4'-P energy: -8.767 bonds (distance) P-C4' energy: -12.129 flat angles C4'-P-C4' energy: -4.296 flat angles P-C4'-P energy: -9.218 tors. eta vs tors. theta energy: -1.732 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: 2 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -160.254421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.254421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.254421 (E_RNA) where: Base-Base interactions energy: -98.365 where: short stacking energy: -64.929 Base-Backbone interact. energy: 0.729 local terms energy: -62.617781 where: bonds (distance) C4'-P energy: -12.591 bonds (distance) P-C4' energy: -12.233 flat angles C4'-P-C4' energy: -10.899 flat angles P-C4'-P energy: -11.524 tors. eta vs tors. theta energy: -15.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -159.385445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.385445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.385445 (E_RNA) where: Base-Base interactions energy: -96.696 where: short stacking energy: -58.922 Base-Backbone interact. energy: -0.005 local terms energy: -62.684071 where: bonds (distance) C4'-P energy: -13.037 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -12.543 flat angles P-C4'-P energy: -8.562 tors. eta vs tors. theta energy: -14.153 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: 3 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -152.456277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.456277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.456277 (E_RNA) where: Base-Base interactions energy: -94.052 where: short stacking energy: -58.218 Base-Backbone interact. energy: -0.044 local terms energy: -58.360176 where: bonds (distance) C4'-P energy: -10.000 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -12.854 flat angles P-C4'-P energy: -11.174 tors. eta vs tors. theta energy: -11.298 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: 8 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -149.583888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.583888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.583888 (E_RNA) where: Base-Base interactions energy: -97.598 where: short stacking energy: -63.801 Base-Backbone interact. energy: -0.092 local terms energy: -51.893933 where: bonds (distance) C4'-P energy: -6.807 bonds (distance) P-C4' energy: -9.378 flat angles C4'-P-C4' energy: -11.256 flat angles P-C4'-P energy: -10.570 tors. eta vs tors. theta energy: -13.883 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: 6 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -129.116926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.116926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.116926 (E_RNA) where: Base-Base interactions energy: -76.862 where: short stacking energy: -48.207 Base-Backbone interact. energy: -0.059 local terms energy: -52.196280 where: bonds (distance) C4'-P energy: -10.422 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -14.168 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: -8.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -122.373333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.373333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.373333 (E_RNA) where: Base-Base interactions energy: -77.541 where: short stacking energy: -40.288 Base-Backbone interact. energy: -0.151 local terms energy: -44.681228 where: bonds (distance) C4'-P energy: -10.687 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -10.600 flat angles P-C4'-P energy: -8.041 tors. eta vs tors. theta energy: -6.815 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: 7, replica: 5 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -96.677089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.677089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.677089 (E_RNA) where: Base-Base interactions energy: -48.437 where: short stacking energy: -45.912 Base-Backbone interact. energy: -0.002 local terms energy: -48.238094 where: bonds (distance) C4'-P energy: -9.959 bonds (distance) P-C4' energy: -13.222 flat angles C4'-P-C4' energy: -10.270 flat angles P-C4'-P energy: -8.070 tors. eta vs tors. theta energy: -6.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -82.655362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.655362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.655362 (E_RNA) where: Base-Base interactions energy: -33.712 where: short stacking energy: -32.872 Base-Backbone interact. energy: -0.065 local terms energy: -48.879157 where: bonds (distance) C4'-P energy: -12.728 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -14.073 flat angles P-C4'-P energy: -6.611 tors. eta vs tors. theta energy: -3.478 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: 337 Temperature: 1.300000 Total energy: -80.993572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.993572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.993572 (E_RNA) where: Base-Base interactions energy: -26.558 where: short stacking energy: -26.558 Base-Backbone interact. energy: -0.069 local terms energy: -54.365801 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -16.016 flat angles C4'-P-C4' energy: -12.505 flat angles P-C4'-P energy: -9.787 tors. eta vs tors. theta energy: -2.141 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: 10, replica: 9 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -86.867194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.867194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.867194 (E_RNA) where: Base-Base interactions energy: -36.536 where: short stacking energy: -36.536 Base-Backbone interact. energy: 0.133 local terms energy: -50.464335 where: bonds (distance) C4'-P energy: -13.590 bonds (distance) P-C4' energy: -11.724 flat angles C4'-P-C4' energy: -10.050 flat angles P-C4'-P energy: -6.425 tors. eta vs tors. theta energy: -8.675 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: 10 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -145.261328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.261328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.261328 (E_RNA) where: Base-Base interactions energy: -80.810 where: short stacking energy: -52.963 Base-Backbone interact. energy: -0.004 local terms energy: -64.446771 where: bonds (distance) C4'-P energy: -15.018 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -12.233 flat angles P-C4'-P energy: -9.784 tors. eta vs tors. theta energy: -12.785 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: 2, replica: 2 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -148.551875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.551875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.551875 (E_RNA) where: Base-Base interactions energy: -88.887 where: short stacking energy: -52.164 Base-Backbone interact. energy: -0.189 local terms energy: -59.476192 where: bonds (distance) C4'-P energy: -13.990 bonds (distance) P-C4' energy: -9.920 flat angles C4'-P-C4' energy: -13.809 flat angles P-C4'-P energy: -8.962 tors. eta vs tors. theta energy: -12.795 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: 8 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -154.064517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.064517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.064517 (E_RNA) where: Base-Base interactions energy: -96.074 where: short stacking energy: -55.980 Base-Backbone interact. energy: -0.002 local terms energy: -57.988068 where: bonds (distance) C4'-P energy: -11.850 bonds (distance) P-C4' energy: -9.450 flat angles C4'-P-C4' energy: -12.704 flat angles P-C4'-P energy: -8.082 tors. eta vs tors. theta energy: -15.902 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: 3 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -139.230814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.230814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.230814 (E_RNA) where: Base-Base interactions energy: -82.788 where: short stacking energy: -51.183 Base-Backbone interact. energy: -0.285 local terms energy: -56.157770 where: bonds (distance) C4'-P energy: -13.569 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -11.316 flat angles P-C4'-P energy: -7.614 tors. eta vs tors. theta energy: -9.740 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: 6 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -117.697843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.697843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.697843 (E_RNA) where: Base-Base interactions energy: -73.042 where: short stacking energy: -38.755 Base-Backbone interact. energy: -0.139 local terms energy: -44.516161 where: bonds (distance) C4'-P energy: -9.213 bonds (distance) P-C4' energy: -11.528 flat angles C4'-P-C4' energy: -9.195 flat angles P-C4'-P energy: -5.930 tors. eta vs tors. theta energy: -8.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -110.032604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.032604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.032604 (E_RNA) where: Base-Base interactions energy: -62.235 where: short stacking energy: -37.310 Base-Backbone interact. energy: -0.200 local terms energy: -47.596935 where: bonds (distance) C4'-P energy: -12.065 bonds (distance) P-C4' energy: -12.919 flat angles C4'-P-C4' energy: -10.169 flat angles P-C4'-P energy: -7.982 tors. eta vs tors. theta energy: -4.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -80.124525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.124525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.124525 (E_RNA) where: Base-Base interactions energy: -42.924 where: short stacking energy: -37.160 Base-Backbone interact. energy: -0.081 local terms energy: -37.119392 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -13.630 flat angles C4'-P-C4' energy: -9.764 flat angles P-C4'-P energy: -2.899 tors. eta vs tors. theta energy: -3.863 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: 5 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -87.931759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.931759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.931759 (E_RNA) where: Base-Base interactions energy: -39.575 where: short stacking energy: -39.575 Base-Backbone interact. energy: -0.108 local terms energy: -48.248313 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -11.004 flat angles C4'-P-C4' energy: -10.539 flat angles P-C4'-P energy: -6.925 tors. eta vs tors. theta energy: -6.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -83.713404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.713404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.713404 (E_RNA) where: Base-Base interactions energy: -33.986 where: short stacking energy: -30.822 Base-Backbone interact. energy: -0.059 local terms energy: -49.668811 where: bonds (distance) C4'-P energy: -10.426 bonds (distance) P-C4' energy: -15.731 flat angles C4'-P-C4' energy: -11.469 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -7.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -77.969567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.969567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.969567 (E_RNA) where: Base-Base interactions energy: -38.361 where: short stacking energy: -34.157 Base-Backbone interact. energy: -0.129 local terms energy: -39.479801 where: bonds (distance) C4'-P energy: -3.263 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -12.876 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -5.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -159.558746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.558746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.558746 (E_RNA) where: Base-Base interactions energy: -97.641 where: short stacking energy: -61.225 Base-Backbone interact. energy: -0.216 local terms energy: -61.702111 where: bonds (distance) C4'-P energy: -13.283 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -12.857 flat angles P-C4'-P energy: -9.533 tors. eta vs tors. theta energy: -11.860 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: 8 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -166.821872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.821872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.821872 (E_RNA) where: Base-Base interactions energy: -100.828 where: short stacking energy: -61.411 Base-Backbone interact. energy: -0.043 local terms energy: -65.950418 where: bonds (distance) C4'-P energy: -10.251 bonds (distance) P-C4' energy: -12.993 flat angles C4'-P-C4' energy: -14.876 flat angles P-C4'-P energy: -9.483 tors. eta vs tors. theta energy: -18.348 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: 2 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -147.962009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.962009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.962009 (E_RNA) where: Base-Base interactions energy: -95.122 where: short stacking energy: -58.699 Base-Backbone interact. energy: -0.128 local terms energy: -52.712588 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -11.302 flat angles C4'-P-C4' energy: -11.683 flat angles P-C4'-P energy: -10.181 tors. eta vs tors. theta energy: -11.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -146.666371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.666371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.666371 (E_RNA) where: Base-Base interactions energy: -86.934 where: short stacking energy: -58.135 Base-Backbone interact. energy: -0.001 local terms energy: -59.731178 where: bonds (distance) C4'-P energy: -11.536 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -8.559 flat angles P-C4'-P energy: -11.445 tors. eta vs tors. theta energy: -14.863 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: 6 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -119.748962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.748962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.748962 (E_RNA) where: Base-Base interactions energy: -67.874 where: short stacking energy: -41.708 Base-Backbone interact. energy: -0.019 local terms energy: -51.855590 where: bonds (distance) C4'-P energy: -14.259 bonds (distance) P-C4' energy: -10.682 flat angles C4'-P-C4' energy: -12.169 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -8.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -88.865721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.865721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.865721 (E_RNA) where: Base-Base interactions energy: -39.296 where: short stacking energy: -35.244 Base-Backbone interact. energy: -0.047 local terms energy: -49.522980 where: bonds (distance) C4'-P energy: -13.990 bonds (distance) P-C4' energy: -10.067 flat angles C4'-P-C4' energy: -13.099 flat angles P-C4'-P energy: -9.406 tors. eta vs tors. theta energy: -2.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -88.654902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.654902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.654902 (E_RNA) where: Base-Base interactions energy: -39.281 where: short stacking energy: -35.367 Base-Backbone interact. energy: -0.847 local terms energy: -48.526784 where: bonds (distance) C4'-P energy: -8.470 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -12.913 flat angles P-C4'-P energy: -9.614 tors. eta vs tors. theta energy: -4.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -76.796051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.796051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.796051 (E_RNA) where: Base-Base interactions energy: -32.921 where: short stacking energy: -32.921 Base-Backbone interact. energy: -0.119 local terms energy: -43.756648 where: bonds (distance) C4'-P energy: -10.563 bonds (distance) P-C4' energy: -10.298 flat angles C4'-P-C4' energy: -10.494 flat angles P-C4'-P energy: -9.624 tors. eta vs tors. theta energy: -2.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -81.669631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.669631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.669631 (E_RNA) where: Base-Base interactions energy: -36.433 where: short stacking energy: -36.433 Base-Backbone interact. energy: -0.074 local terms energy: -45.162153 where: bonds (distance) C4'-P energy: -14.392 bonds (distance) P-C4' energy: -14.032 flat angles C4'-P-C4' energy: -10.873 flat angles P-C4'-P energy: 0.094 tors. eta vs tors. theta energy: -5.959 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: 7 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -78.089394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.089394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.089394 (E_RNA) where: Base-Base interactions energy: -29.015 where: short stacking energy: -29.015 Base-Backbone interact. energy: -1.237 local terms energy: -47.838041 where: bonds (distance) C4'-P energy: -9.102 bonds (distance) P-C4' energy: -12.180 flat angles C4'-P-C4' energy: -12.659 flat angles P-C4'-P energy: -9.022 tors. eta vs tors. theta energy: -4.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -162.674728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.674728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.674728 (E_RNA) where: Base-Base interactions energy: -101.652 where: short stacking energy: -62.722 Base-Backbone interact. energy: -0.111 local terms energy: -60.911018 where: bonds (distance) C4'-P energy: -11.992 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -11.460 flat angles P-C4'-P energy: -9.828 tors. eta vs tors. theta energy: -14.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -154.653870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.653870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.653870 (E_RNA) where: Base-Base interactions energy: -92.612 where: short stacking energy: -60.367 Base-Backbone interact. energy: -0.016 local terms energy: -62.025617 where: bonds (distance) C4'-P energy: -12.753 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -12.542 flat angles P-C4'-P energy: -9.598 tors. eta vs tors. theta energy: -14.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -136.821228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.821228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.821228 (E_RNA) where: Base-Base interactions energy: -79.643 where: short stacking energy: -55.180 Base-Backbone interact. energy: -0.224 local terms energy: -56.955070 where: bonds (distance) C4'-P energy: -12.646 bonds (distance) P-C4' energy: -12.566 flat angles C4'-P-C4' energy: -12.423 flat angles P-C4'-P energy: -9.247 tors. eta vs tors. theta energy: -10.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -142.132725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.132725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.132725 (E_RNA) where: Base-Base interactions energy: -87.593 where: short stacking energy: -54.980 Base-Backbone interact. energy: -0.014 local terms energy: -54.526053 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -11.142 flat angles C4'-P-C4' energy: -9.727 flat angles P-C4'-P energy: -5.861 tors. eta vs tors. theta energy: -13.709 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: 6 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -123.798886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.798886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.798886 (E_RNA) where: Base-Base interactions energy: -71.188 where: short stacking energy: -42.693 Base-Backbone interact. energy: 0.062 local terms energy: -52.673053 where: bonds (distance) C4'-P energy: -13.730 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -10.376 flat angles P-C4'-P energy: -9.277 tors. eta vs tors. theta energy: -6.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -97.980435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.980435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.980435 (E_RNA) where: Base-Base interactions energy: -47.442 where: short stacking energy: -44.391 Base-Backbone interact. energy: -0.036 local terms energy: -50.502477 where: bonds (distance) C4'-P energy: -9.002 bonds (distance) P-C4' energy: -8.509 flat angles C4'-P-C4' energy: -15.410 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: -13.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -96.992894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.992894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.992894 (E_RNA) where: Base-Base interactions energy: -46.964 where: short stacking energy: -46.964 Base-Backbone interact. energy: -2.024 local terms energy: -48.004399 where: bonds (distance) C4'-P energy: -4.443 bonds (distance) P-C4' energy: -13.986 flat angles C4'-P-C4' energy: -14.196 flat angles P-C4'-P energy: -7.781 tors. eta vs tors. theta energy: -7.599 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: 1 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -82.562513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.562513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.562513 (E_RNA) where: Base-Base interactions energy: -41.965 where: short stacking energy: -41.965 Base-Backbone interact. energy: -0.003 local terms energy: -40.594673 where: bonds (distance) C4'-P energy: -12.280 bonds (distance) P-C4' energy: -9.983 flat angles C4'-P-C4' energy: -8.203 flat angles P-C4'-P energy: -7.218 tors. eta vs tors. theta energy: -2.910 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: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -81.943892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.943892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.943892 (E_RNA) where: Base-Base interactions energy: -39.397 where: short stacking energy: -39.397 Base-Backbone interact. energy: -0.072 local terms energy: -42.474430 where: bonds (distance) C4'-P energy: -6.962 bonds (distance) P-C4' energy: -13.800 flat angles C4'-P-C4' energy: -11.239 flat angles P-C4'-P energy: -7.080 tors. eta vs tors. theta energy: -3.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -65.913632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.913632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.913632 (E_RNA) where: Base-Base interactions energy: -23.863 where: short stacking energy: -23.282 Base-Backbone interact. energy: -0.117 local terms energy: -41.933569 where: bonds (distance) C4'-P energy: -12.844 bonds (distance) P-C4' energy: -9.246 flat angles C4'-P-C4' energy: -8.354 flat angles P-C4'-P energy: -9.481 tors. eta vs tors. theta energy: -2.009 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: 341 Temperature: 0.900000 Total energy: -155.408247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.408247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.408247 (E_RNA) where: Base-Base interactions energy: -92.832 where: short stacking energy: -62.169 Base-Backbone interact. energy: -0.016 local terms energy: -62.559934 where: bonds (distance) C4'-P energy: -15.124 bonds (distance) P-C4' energy: -10.182 flat angles C4'-P-C4' energy: -13.891 flat angles P-C4'-P energy: -9.135 tors. eta vs tors. theta energy: -14.228 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: 2, replica: 8 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -155.821153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.821153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.821153 (E_RNA) where: Base-Base interactions energy: -99.329 where: short stacking energy: -59.406 Base-Backbone interact. energy: 0.760 local terms energy: -57.251396 where: bonds (distance) C4'-P energy: -14.160 bonds (distance) P-C4' energy: -10.265 flat angles C4'-P-C4' energy: -7.592 flat angles P-C4'-P energy: -11.254 tors. eta vs tors. theta energy: -13.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -140.839393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.839393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.839393 (E_RNA) where: Base-Base interactions energy: -80.988 where: short stacking energy: -52.689 Base-Backbone interact. energy: -0.005 local terms energy: -59.846049 where: bonds (distance) C4'-P energy: -13.223 bonds (distance) P-C4' energy: -14.652 flat angles C4'-P-C4' energy: -12.620 flat angles P-C4'-P energy: -9.295 tors. eta vs tors. theta energy: -10.056 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: 6 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -133.141704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.141704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.141704 (E_RNA) where: Base-Base interactions energy: -76.083 where: short stacking energy: -45.569 Base-Backbone interact. energy: -0.059 local terms energy: -56.999125 where: bonds (distance) C4'-P energy: -12.199 bonds (distance) P-C4' energy: -16.210 flat angles C4'-P-C4' energy: -8.950 flat angles P-C4'-P energy: -8.427 tors. eta vs tors. theta energy: -11.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -140.039170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.039170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.039170 (E_RNA) where: Base-Base interactions energy: -81.637 where: short stacking energy: -45.966 Base-Backbone interact. energy: -0.001 local terms energy: -58.401112 where: bonds (distance) C4'-P energy: -10.927 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -12.738 flat angles P-C4'-P energy: -10.199 tors. eta vs tors. theta energy: -10.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -104.881979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.881979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.881979 (E_RNA) where: Base-Base interactions energy: -45.497 where: short stacking energy: -45.497 Base-Backbone interact. energy: -0.008 local terms energy: -59.377301 where: bonds (distance) C4'-P energy: -14.243 bonds (distance) P-C4' energy: -10.708 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -9.211 tors. eta vs tors. theta energy: -10.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -85.445888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.445888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.445888 (E_RNA) where: Base-Base interactions energy: -46.722 where: short stacking energy: -36.749 Base-Backbone interact. energy: -0.102 local terms energy: -38.622080 where: bonds (distance) C4'-P energy: -8.240 bonds (distance) P-C4' energy: -3.870 flat angles C4'-P-C4' energy: -11.364 flat angles P-C4'-P energy: -9.089 tors. eta vs tors. theta energy: -6.059 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: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -85.357058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.357058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.357058 (E_RNA) where: Base-Base interactions energy: -40.312 where: short stacking energy: -39.585 Base-Backbone interact. energy: -0.101 local terms energy: -44.944677 where: bonds (distance) C4'-P energy: -14.342 bonds (distance) P-C4' energy: -8.707 flat angles C4'-P-C4' energy: -11.171 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -7.762 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: 1 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -71.333366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.333366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.333366 (E_RNA) where: Base-Base interactions energy: -29.336 where: short stacking energy: -28.789 Base-Backbone interact. energy: -0.741 local terms energy: -41.255786 where: bonds (distance) C4'-P energy: -14.140 bonds (distance) P-C4' energy: -13.516 flat angles C4'-P-C4' energy: -10.655 flat angles P-C4'-P energy: 0.035 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -67.401152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.401152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.401152 (E_RNA) where: Base-Base interactions energy: -32.149 where: short stacking energy: -32.149 Base-Backbone interact. energy: -0.114 local terms energy: -35.137530 where: bonds (distance) C4'-P energy: -7.760 bonds (distance) P-C4' energy: -11.793 flat angles C4'-P-C4' energy: -10.797 flat angles P-C4'-P energy: -2.779 tors. eta vs tors. theta energy: -2.009 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: 342 Temperature: 0.900000 Total energy: -156.912917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.912917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.912917 (E_RNA) where: Base-Base interactions energy: -93.135 where: short stacking energy: -55.765 Base-Backbone interact. energy: -0.461 local terms energy: -63.316920 where: bonds (distance) C4'-P energy: -13.991 bonds (distance) P-C4' energy: -15.441 flat angles C4'-P-C4' energy: -12.625 flat angles P-C4'-P energy: -10.000 tors. eta vs tors. theta energy: -11.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -154.827476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.827476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.827476 (E_RNA) where: Base-Base interactions energy: -87.984 where: short stacking energy: -50.578 Base-Backbone interact. energy: -0.003 local terms energy: -66.839945 where: bonds (distance) C4'-P energy: -13.941 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -15.086 flat angles P-C4'-P energy: -10.314 tors. eta vs tors. theta energy: -14.207 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: 2 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -140.306913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.306913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.306913 (E_RNA) where: Base-Base interactions energy: -80.463 where: short stacking energy: -49.312 Base-Backbone interact. energy: -0.134 local terms energy: -59.709455 where: bonds (distance) C4'-P energy: -11.642 bonds (distance) P-C4' energy: -11.788 flat angles C4'-P-C4' energy: -14.901 flat angles P-C4'-P energy: -11.117 tors. eta vs tors. theta energy: -10.261 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: 4, replica: 6 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -141.013290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.013290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.013290 (E_RNA) where: Base-Base interactions energy: -79.821 where: short stacking energy: -47.995 Base-Backbone interact. energy: -0.147 local terms energy: -61.044499 where: bonds (distance) C4'-P energy: -13.449 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -13.571 flat angles P-C4'-P energy: -6.738 tors. eta vs tors. theta energy: -13.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -106.024962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.024962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.024962 (E_RNA) where: Base-Base interactions energy: -52.911 where: short stacking energy: -46.854 Base-Backbone interact. energy: -0.003 local terms energy: -53.110535 where: bonds (distance) C4'-P energy: -9.896 bonds (distance) P-C4' energy: -10.876 flat angles C4'-P-C4' energy: -15.713 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -12.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -135.856258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.856258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.856258 (E_RNA) where: Base-Base interactions energy: -88.821 where: short stacking energy: -53.884 Base-Backbone interact. energy: -0.001 local terms energy: -47.033929 where: bonds (distance) C4'-P energy: -4.784 bonds (distance) P-C4' energy: -11.688 flat angles C4'-P-C4' energy: -11.832 flat angles P-C4'-P energy: -6.600 tors. eta vs tors. theta energy: -12.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -87.082144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.082144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.082144 (E_RNA) where: Base-Base interactions energy: -39.497 where: short stacking energy: -39.355 Base-Backbone interact. energy: -0.073 local terms energy: -47.512218 where: bonds (distance) C4'-P energy: -7.478 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -10.808 flat angles P-C4'-P energy: -8.084 tors. eta vs tors. theta energy: -5.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -76.568197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.568197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.568197 (E_RNA) where: Base-Base interactions energy: -28.079 where: short stacking energy: -22.646 Base-Backbone interact. energy: -0.086 local terms energy: -48.403322 where: bonds (distance) C4'-P energy: -13.207 bonds (distance) P-C4' energy: -14.078 flat angles C4'-P-C4' energy: -11.204 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -5.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -82.014726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.014726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.014726 (E_RNA) where: Base-Base interactions energy: -33.706 where: short stacking energy: -32.710 Base-Backbone interact. energy: 1.004 local terms energy: -49.313423 where: bonds (distance) C4'-P energy: -13.776 bonds (distance) P-C4' energy: -12.856 flat angles C4'-P-C4' energy: -10.314 flat angles P-C4'-P energy: -5.398 tors. eta vs tors. theta energy: -6.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -84.410853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.410853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.410853 (E_RNA) where: Base-Base interactions energy: -38.074 where: short stacking energy: -35.237 Base-Backbone interact. energy: -0.002 local terms energy: -46.335388 where: bonds (distance) C4'-P energy: -11.833 bonds (distance) P-C4' energy: -10.175 flat angles C4'-P-C4' energy: -11.596 flat angles P-C4'-P energy: -5.824 tors. eta vs tors. theta energy: -6.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -157.547427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.547427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.547427 (E_RNA) where: Base-Base interactions energy: -100.859 where: short stacking energy: -71.811 Base-Backbone interact. energy: -0.001 local terms energy: -56.687671 where: bonds (distance) C4'-P energy: -12.807 bonds (distance) P-C4' energy: -11.400 flat angles C4'-P-C4' energy: -14.144 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -13.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -141.104280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.104280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.104280 (E_RNA) where: Base-Base interactions energy: -84.826 where: short stacking energy: -49.982 Base-Backbone interact. energy: 0.068 local terms energy: -56.346144 where: bonds (distance) C4'-P energy: -10.940 bonds (distance) P-C4' energy: -12.718 flat angles C4'-P-C4' energy: -11.483 flat angles P-C4'-P energy: -10.837 tors. eta vs tors. theta energy: -10.368 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: 3, replica: 8 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -148.185096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.185096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.185096 (E_RNA) where: Base-Base interactions energy: -88.687 where: short stacking energy: -55.708 Base-Backbone interact. energy: -0.000 local terms energy: -59.497640 where: bonds (distance) C4'-P energy: -13.277 bonds (distance) P-C4' energy: -10.673 flat angles C4'-P-C4' energy: -14.009 flat angles P-C4'-P energy: -8.275 tors. eta vs tors. theta energy: -13.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -129.520142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.520142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.520142 (E_RNA) where: Base-Base interactions energy: -75.165 where: short stacking energy: -45.133 Base-Backbone interact. energy: -0.486 local terms energy: -53.868823 where: bonds (distance) C4'-P energy: -12.036 bonds (distance) P-C4' energy: -12.366 flat angles C4'-P-C4' energy: -11.287 flat angles P-C4'-P energy: -10.604 tors. eta vs tors. theta energy: -7.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -104.726870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.726870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.726870 (E_RNA) where: Base-Base interactions energy: -54.838 where: short stacking energy: -48.441 Base-Backbone interact. energy: -0.009 local terms energy: -49.880060 where: bonds (distance) C4'-P energy: -10.580 bonds (distance) P-C4' energy: -9.501 flat angles C4'-P-C4' energy: -11.331 flat angles P-C4'-P energy: -8.505 tors. eta vs tors. theta energy: -9.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -137.076235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.076235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.076235 (E_RNA) where: Base-Base interactions energy: -81.614 where: short stacking energy: -50.869 Base-Backbone interact. energy: -0.006 local terms energy: -55.456290 where: bonds (distance) C4'-P energy: -14.020 bonds (distance) P-C4' energy: -12.703 flat angles C4'-P-C4' energy: -10.989 flat angles P-C4'-P energy: -11.217 tors. eta vs tors. theta energy: -6.527 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: 7, replica: 7 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -83.098552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.098552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.098552 (E_RNA) where: Base-Base interactions energy: -35.673 where: short stacking energy: -33.441 Base-Backbone interact. energy: -0.162 local terms energy: -47.263480 where: bonds (distance) C4'-P energy: -12.720 bonds (distance) P-C4' energy: -11.760 flat angles C4'-P-C4' energy: -12.877 flat angles P-C4'-P energy: -8.098 tors. eta vs tors. theta energy: -1.809 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: 8, replica: 9 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -92.990706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.990706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.990706 (E_RNA) where: Base-Base interactions energy: -39.461 where: short stacking energy: -36.174 Base-Backbone interact. energy: -0.050 local terms energy: -53.479939 where: bonds (distance) C4'-P energy: -13.332 bonds (distance) P-C4' energy: -16.238 flat angles C4'-P-C4' energy: -10.835 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -7.563 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: 5 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -82.559321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.559321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.559321 (E_RNA) where: Base-Base interactions energy: -38.435 where: short stacking energy: -38.435 Base-Backbone interact. energy: -0.203 local terms energy: -43.921498 where: bonds (distance) C4'-P energy: -10.505 bonds (distance) P-C4' energy: -10.309 flat angles C4'-P-C4' energy: -12.472 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -6.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -70.239793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.239793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.239793 (E_RNA) where: Base-Base interactions energy: -26.076 where: short stacking energy: -23.894 Base-Backbone interact. energy: -0.405 local terms energy: -43.758992 where: bonds (distance) C4'-P energy: -10.571 bonds (distance) P-C4' energy: -7.958 flat angles C4'-P-C4' energy: -15.815 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -3.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -178.547537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.547537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.547537 (E_RNA) where: Base-Base interactions energy: -106.710 where: short stacking energy: -66.663 Base-Backbone interact. energy: -0.005 local terms energy: -71.833400 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -15.427 flat angles P-C4'-P energy: -11.411 tors. eta vs tors. theta energy: -16.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -140.511368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.511368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.511368 (E_RNA) where: Base-Base interactions energy: -81.521 where: short stacking energy: -48.323 Base-Backbone interact. energy: -0.016 local terms energy: -58.974418 where: bonds (distance) C4'-P energy: -13.039 bonds (distance) P-C4' energy: -14.731 flat angles C4'-P-C4' energy: -12.507 flat angles P-C4'-P energy: -10.674 tors. eta vs tors. theta energy: -8.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -141.275092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.275092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.275092 (E_RNA) where: Base-Base interactions energy: -81.259 where: short stacking energy: -51.883 Base-Backbone interact. energy: -0.004 local terms energy: -60.011619 where: bonds (distance) C4'-P energy: -13.787 bonds (distance) P-C4' energy: -12.812 flat angles C4'-P-C4' energy: -14.558 flat angles P-C4'-P energy: -7.221 tors. eta vs tors. theta energy: -11.634 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: 8 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -163.718427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.718427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.718427 (E_RNA) where: Base-Base interactions energy: -100.736 where: short stacking energy: -64.987 Base-Backbone interact. energy: -0.006 local terms energy: -62.976502 where: bonds (distance) C4'-P energy: -14.905 bonds (distance) P-C4' energy: -14.104 flat angles C4'-P-C4' energy: -12.549 flat angles P-C4'-P energy: -7.642 tors. eta vs tors. theta energy: -13.775 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: 3 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -137.015758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.015758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.015758 (E_RNA) where: Base-Base interactions energy: -78.617 where: short stacking energy: -40.708 Base-Backbone interact. energy: -0.557 local terms energy: -57.841569 where: bonds (distance) C4'-P energy: -14.168 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -12.517 flat angles P-C4'-P energy: -9.785 tors. eta vs tors. theta energy: -6.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -94.929629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.929629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.929629 (E_RNA) where: Base-Base interactions energy: -37.516 where: short stacking energy: -37.516 Base-Backbone interact. energy: -0.068 local terms energy: -57.346276 where: bonds (distance) C4'-P energy: -14.318 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -8.656 flat angles P-C4'-P energy: -10.742 tors. eta vs tors. theta energy: -10.475 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: 7 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -90.494250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.494250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.494250 (E_RNA) where: Base-Base interactions energy: -36.590 where: short stacking energy: -26.439 Base-Backbone interact. energy: -0.527 local terms energy: -53.376837 where: bonds (distance) C4'-P energy: -12.703 bonds (distance) P-C4' energy: -13.496 flat angles C4'-P-C4' energy: -14.832 flat angles P-C4'-P energy: -7.700 tors. eta vs tors. theta energy: -4.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -85.185574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.185574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.185574 (E_RNA) where: Base-Base interactions energy: -33.210 where: short stacking energy: -31.245 Base-Backbone interact. energy: -0.027 local terms energy: -51.948998 where: bonds (distance) C4'-P energy: -12.913 bonds (distance) P-C4' energy: -11.623 flat angles C4'-P-C4' energy: -12.427 flat angles P-C4'-P energy: -11.025 tors. eta vs tors. theta energy: -3.961 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: 9, replica: 1 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -75.258021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.258021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.258021 (E_RNA) where: Base-Base interactions energy: -27.478 where: short stacking energy: -25.844 Base-Backbone interact. energy: -0.426 local terms energy: -47.354534 where: bonds (distance) C4'-P energy: -10.421 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -12.715 flat angles P-C4'-P energy: -10.302 tors. eta vs tors. theta energy: -1.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -77.397978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.397978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.397978 (E_RNA) where: Base-Base interactions energy: -38.467 where: short stacking energy: -20.739 Base-Backbone interact. energy: -0.825 local terms energy: -38.106100 where: bonds (distance) C4'-P energy: -11.350 bonds (distance) P-C4' energy: -14.991 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: 0.182 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: 345 Temperature: 0.900000 Total energy: -175.397261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.397261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.397261 (E_RNA) where: Base-Base interactions energy: -110.387 where: short stacking energy: -75.309 Base-Backbone interact. energy: -0.005 local terms energy: -65.004558 where: bonds (distance) C4'-P energy: -14.948 bonds (distance) P-C4' energy: -10.211 flat angles C4'-P-C4' energy: -13.394 flat angles P-C4'-P energy: -9.368 tors. eta vs tors. theta energy: -17.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -143.072222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.072222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.072222 (E_RNA) where: Base-Base interactions energy: -88.162 where: short stacking energy: -56.220 Base-Backbone interact. energy: -0.106 local terms energy: -54.804673 where: bonds (distance) C4'-P energy: -14.202 bonds (distance) P-C4' energy: -14.995 flat angles C4'-P-C4' energy: -8.883 flat angles P-C4'-P energy: -8.753 tors. eta vs tors. theta energy: -7.972 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: 6 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -149.299463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.299463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.299463 (E_RNA) where: Base-Base interactions energy: -90.685 where: short stacking energy: -57.293 Base-Backbone interact. energy: -0.673 local terms energy: -57.942105 where: bonds (distance) C4'-P energy: -10.784 bonds (distance) P-C4' energy: -12.419 flat angles C4'-P-C4' energy: -12.409 flat angles P-C4'-P energy: -10.394 tors. eta vs tors. theta energy: -11.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -161.643559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.643559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.643559 (E_RNA) where: Base-Base interactions energy: -95.677 where: short stacking energy: -63.559 Base-Backbone interact. energy: -0.001 local terms energy: -65.966370 where: bonds (distance) C4'-P energy: -11.332 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -12.462 flat angles P-C4'-P energy: -11.569 tors. eta vs tors. theta energy: -18.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -142.131341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.131341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.131341 (E_RNA) where: Base-Base interactions energy: -89.412 where: short stacking energy: -58.085 Base-Backbone interact. energy: -0.207 local terms energy: -52.511962 where: bonds (distance) C4'-P energy: -11.690 bonds (distance) P-C4' energy: -6.505 flat angles C4'-P-C4' energy: -12.584 flat angles P-C4'-P energy: -8.226 tors. eta vs tors. theta energy: -13.507 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: 4 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -91.187083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.187083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.187083 (E_RNA) where: Base-Base interactions energy: -39.728 where: short stacking energy: -33.333 Base-Backbone interact. energy: -1.000 local terms energy: -50.458789 where: bonds (distance) C4'-P energy: -14.440 bonds (distance) P-C4' energy: -11.941 flat angles C4'-P-C4' energy: -12.671 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -7.527 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: 7, replica: 7 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -82.032010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.032010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.032010 (E_RNA) where: Base-Base interactions energy: -34.277 where: short stacking energy: -32.508 Base-Backbone interact. energy: -0.105 local terms energy: -47.650046 where: bonds (distance) C4'-P energy: -10.773 bonds (distance) P-C4' energy: -12.848 flat angles C4'-P-C4' energy: -11.729 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -7.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -86.709791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.709791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.709791 (E_RNA) where: Base-Base interactions energy: -36.474 where: short stacking energy: -36.474 Base-Backbone interact. energy: -0.002 local terms energy: -50.233756 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -11.738 flat angles P-C4'-P energy: -8.912 tors. eta vs tors. theta energy: -8.175 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: 9 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -86.770846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.770846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.770846 (E_RNA) where: Base-Base interactions energy: -47.322 where: short stacking energy: -35.304 Base-Backbone interact. energy: -0.150 local terms energy: -39.299116 where: bonds (distance) C4'-P energy: -10.261 bonds (distance) P-C4' energy: -11.425 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -5.185 tors. eta vs tors. theta energy: -6.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -82.695997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.695997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.695997 (E_RNA) where: Base-Base interactions energy: -36.971 where: short stacking energy: -31.827 Base-Backbone interact. energy: -0.113 local terms energy: -45.611231 where: bonds (distance) C4'-P energy: -12.224 bonds (distance) P-C4' energy: -8.977 flat angles C4'-P-C4' energy: -11.073 flat angles P-C4'-P energy: -6.505 tors. eta vs tors. theta energy: -6.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -168.838679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.838679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.838679 (E_RNA) where: Base-Base interactions energy: -102.378 where: short stacking energy: -62.948 Base-Backbone interact. energy: -0.000 local terms energy: -66.460398 where: bonds (distance) C4'-P energy: -11.178 bonds (distance) P-C4' energy: -15.506 flat angles C4'-P-C4' energy: -13.927 flat angles P-C4'-P energy: -9.822 tors. eta vs tors. theta energy: -16.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -146.024195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.024195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.024195 (E_RNA) where: Base-Base interactions energy: -85.053 where: short stacking energy: -57.740 Base-Backbone interact. energy: -0.666 local terms energy: -60.305320 where: bonds (distance) C4'-P energy: -12.087 bonds (distance) P-C4' energy: -12.151 flat angles C4'-P-C4' energy: -13.240 flat angles P-C4'-P energy: -11.268 tors. eta vs tors. theta energy: -11.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -151.154077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.154077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.154077 (E_RNA) where: Base-Base interactions energy: -97.618 where: short stacking energy: -55.481 Base-Backbone interact. energy: -0.087 local terms energy: -53.449264 where: bonds (distance) C4'-P energy: -10.376 bonds (distance) P-C4' energy: -10.072 flat angles C4'-P-C4' energy: -10.690 flat angles P-C4'-P energy: -9.711 tors. eta vs tors. theta energy: -12.599 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: 6 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -137.751947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.751947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.751947 (E_RNA) where: Base-Base interactions energy: -78.376 where: short stacking energy: -50.331 Base-Backbone interact. energy: -0.008 local terms energy: -59.368238 where: bonds (distance) C4'-P energy: -13.722 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -9.397 flat angles P-C4'-P energy: -9.715 tors. eta vs tors. theta energy: -12.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -117.660265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.660265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.660265 (E_RNA) where: Base-Base interactions energy: -70.215 where: short stacking energy: -44.609 Base-Backbone interact. energy: -0.090 local terms energy: -47.355183 where: bonds (distance) C4'-P energy: -10.087 bonds (distance) P-C4' energy: -11.750 flat angles C4'-P-C4' energy: -9.798 flat angles P-C4'-P energy: -6.405 tors. eta vs tors. theta energy: -9.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -85.437886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.437886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.437886 (E_RNA) where: Base-Base interactions energy: -37.824 where: short stacking energy: -22.521 Base-Backbone interact. energy: -0.225 local terms energy: -47.389411 where: bonds (distance) C4'-P energy: -12.463 bonds (distance) P-C4' energy: -11.826 flat angles C4'-P-C4' energy: -11.761 flat angles P-C4'-P energy: -9.593 tors. eta vs tors. theta energy: -1.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -114.121939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.121939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.121939 (E_RNA) where: Base-Base interactions energy: -57.736 where: short stacking energy: -46.401 Base-Backbone interact. energy: -0.197 local terms energy: -56.189171 where: bonds (distance) C4'-P energy: -11.084 bonds (distance) P-C4' energy: -12.702 flat angles C4'-P-C4' energy: -10.378 flat angles P-C4'-P energy: -9.079 tors. eta vs tors. theta energy: -12.946 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: 1 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -88.835889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.835889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.835889 (E_RNA) where: Base-Base interactions energy: -38.012 where: short stacking energy: -37.511 Base-Backbone interact. energy: -0.044 local terms energy: -50.779679 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -12.586 flat angles C4'-P-C4' energy: -12.788 flat angles P-C4'-P energy: -8.108 tors. eta vs tors. theta energy: -5.079 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: 5 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -79.702827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.702827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.702827 (E_RNA) where: Base-Base interactions energy: -32.243 where: short stacking energy: -26.072 Base-Backbone interact. energy: -0.251 local terms energy: -47.209110 where: bonds (distance) C4'-P energy: -11.067 bonds (distance) P-C4' energy: -14.249 flat angles C4'-P-C4' energy: -13.104 flat angles P-C4'-P energy: -5.101 tors. eta vs tors. theta energy: -3.688 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: 9 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -74.770739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.770739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.770739 (E_RNA) where: Base-Base interactions energy: -42.636 where: short stacking energy: -29.761 Base-Backbone interact. energy: 0.411 local terms energy: -32.545076 where: bonds (distance) C4'-P energy: -11.316 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -7.851 flat angles P-C4'-P energy: 3.656 tors. eta vs tors. theta energy: -3.292 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: 1, replica: 10 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -163.695106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.695106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.695106 (E_RNA) where: Base-Base interactions energy: -94.322 where: short stacking energy: -64.732 Base-Backbone interact. energy: -0.489 local terms energy: -68.884366 where: bonds (distance) C4'-P energy: -14.484 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -14.429 flat angles P-C4'-P energy: -12.114 tors. eta vs tors. theta energy: -13.860 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: 2 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -153.020552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.020552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.020552 (E_RNA) where: Base-Base interactions energy: -91.013 where: short stacking energy: -57.648 Base-Backbone interact. energy: -0.036 local terms energy: -61.971947 where: bonds (distance) C4'-P energy: -11.945 bonds (distance) P-C4' energy: -12.714 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -9.469 tors. eta vs tors. theta energy: -14.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -157.849354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.849354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.849354 (E_RNA) where: Base-Base interactions energy: -97.206 where: short stacking energy: -56.276 Base-Backbone interact. energy: -0.001 local terms energy: -60.642783 where: bonds (distance) C4'-P energy: -12.069 bonds (distance) P-C4' energy: -13.927 flat angles C4'-P-C4' energy: -11.748 flat angles P-C4'-P energy: -6.169 tors. eta vs tors. theta energy: -16.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -140.413521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.413521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.413521 (E_RNA) where: Base-Base interactions energy: -80.260 where: short stacking energy: -55.075 Base-Backbone interact. energy: -0.003 local terms energy: -60.151150 where: bonds (distance) C4'-P energy: -11.395 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -14.503 flat angles P-C4'-P energy: -6.122 tors. eta vs tors. theta energy: -13.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -98.799653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.799653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.799653 (E_RNA) where: Base-Base interactions energy: -51.207 where: short stacking energy: -41.880 Base-Backbone interact. energy: -0.019 local terms energy: -47.574066 where: bonds (distance) C4'-P energy: -10.462 bonds (distance) P-C4' energy: -12.585 flat angles C4'-P-C4' energy: -8.340 flat angles P-C4'-P energy: -9.619 tors. eta vs tors. theta energy: -6.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -95.578360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.578360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.578360 (E_RNA) where: Base-Base interactions energy: -50.297 where: short stacking energy: -28.804 Base-Backbone interact. energy: -0.099 local terms energy: -45.181766 where: bonds (distance) C4'-P energy: -14.052 bonds (distance) P-C4' energy: -11.922 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -7.987 tors. eta vs tors. theta energy: -5.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -94.542415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.542415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.542415 (E_RNA) where: Base-Base interactions energy: -63.635 where: short stacking energy: -40.483 Base-Backbone interact. energy: -0.462 local terms energy: -30.445858 where: bonds (distance) C4'-P energy: -3.315 bonds (distance) P-C4' energy: -7.525 flat angles C4'-P-C4' energy: -13.056 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: -1.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -83.067539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.067539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.067539 (E_RNA) where: Base-Base interactions energy: -42.638 where: short stacking energy: -30.502 Base-Backbone interact. energy: -0.166 local terms energy: -40.263795 where: bonds (distance) C4'-P energy: -12.409 bonds (distance) P-C4' energy: -9.654 flat angles C4'-P-C4' energy: -9.666 flat angles P-C4'-P energy: -6.611 tors. eta vs tors. theta energy: -1.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -76.916520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.916520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.916520 (E_RNA) where: Base-Base interactions energy: -38.765 where: short stacking energy: -26.929 Base-Backbone interact. energy: -0.351 local terms energy: -37.800939 where: bonds (distance) C4'-P energy: -10.129 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -11.807 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: 0.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -72.864150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.864150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.864150 (E_RNA) where: Base-Base interactions energy: -31.511 where: short stacking energy: -23.432 Base-Backbone interact. energy: -0.039 local terms energy: -41.314233 where: bonds (distance) C4'-P energy: -13.688 bonds (distance) P-C4' energy: -8.601 flat angles C4'-P-C4' energy: -10.746 flat angles P-C4'-P energy: -9.486 tors. eta vs tors. theta energy: 1.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -160.804219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.804219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.804219 (E_RNA) where: Base-Base interactions energy: -102.482 where: short stacking energy: -64.084 Base-Backbone interact. energy: -0.001 local terms energy: -58.321673 where: bonds (distance) C4'-P energy: -13.042 bonds (distance) P-C4' energy: -10.531 flat angles C4'-P-C4' energy: -11.538 flat angles P-C4'-P energy: -7.299 tors. eta vs tors. theta energy: -15.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -149.885379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.885379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.885379 (E_RNA) where: Base-Base interactions energy: -90.447 where: short stacking energy: -53.303 Base-Backbone interact. energy: -0.227 local terms energy: -59.211591 where: bonds (distance) C4'-P energy: -13.560 bonds (distance) P-C4' energy: -11.150 flat angles C4'-P-C4' energy: -13.533 flat angles P-C4'-P energy: -9.139 tors. eta vs tors. theta energy: -11.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -154.792898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.792898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.792898 (E_RNA) where: Base-Base interactions energy: -85.450 where: short stacking energy: -55.490 Base-Backbone interact. energy: -0.072 local terms energy: -69.270287 where: bonds (distance) C4'-P energy: -12.123 bonds (distance) P-C4' energy: -15.430 flat angles C4'-P-C4' energy: -14.161 flat angles P-C4'-P energy: -11.314 tors. eta vs tors. theta energy: -16.242 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: 4, replica: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -144.884435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.884435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.884435 (E_RNA) where: Base-Base interactions energy: -88.425 where: short stacking energy: -59.396 Base-Backbone interact. energy: 0.505 local terms energy: -56.964105 where: bonds (distance) C4'-P energy: -14.012 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -8.671 flat angles P-C4'-P energy: -5.359 tors. eta vs tors. theta energy: -13.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -99.793482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.793482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.793482 (E_RNA) where: Base-Base interactions energy: -46.505 where: short stacking energy: -46.505 Base-Backbone interact. energy: -0.095 local terms energy: -53.193538 where: bonds (distance) C4'-P energy: -9.125 bonds (distance) P-C4' energy: -14.091 flat angles C4'-P-C4' energy: -13.515 flat angles P-C4'-P energy: -8.578 tors. eta vs tors. theta energy: -7.884 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: 8 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -93.895189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.895189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.895189 (E_RNA) where: Base-Base interactions energy: -49.699 where: short stacking energy: -36.225 Base-Backbone interact. energy: -0.156 local terms energy: -44.040590 where: bonds (distance) C4'-P energy: -6.965 bonds (distance) P-C4' energy: -10.309 flat angles C4'-P-C4' energy: -15.432 flat angles P-C4'-P energy: -8.830 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: 7, replica: 1 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -92.684852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.684852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.684852 (E_RNA) where: Base-Base interactions energy: -42.439 where: short stacking energy: -42.439 Base-Backbone interact. energy: -0.169 local terms energy: -50.077119 where: bonds (distance) C4'-P energy: -8.584 bonds (distance) P-C4' energy: -11.679 flat angles C4'-P-C4' energy: -12.201 flat angles P-C4'-P energy: -8.026 tors. eta vs tors. theta energy: -9.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -78.288700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.288700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.288700 (E_RNA) where: Base-Base interactions energy: -35.249 where: short stacking energy: -30.563 Base-Backbone interact. energy: -0.623 local terms energy: -42.416540 where: bonds (distance) C4'-P energy: -10.281 bonds (distance) P-C4' energy: -10.054 flat angles C4'-P-C4' energy: -11.661 flat angles P-C4'-P energy: -7.599 tors. eta vs tors. theta energy: -2.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -77.004157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.004157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.004157 (E_RNA) where: Base-Base interactions energy: -33.678 where: short stacking energy: -28.978 Base-Backbone interact. energy: -0.320 local terms energy: -43.006568 where: bonds (distance) C4'-P energy: -13.712 bonds (distance) P-C4' energy: -7.670 flat angles C4'-P-C4' energy: -9.664 flat angles P-C4'-P energy: -5.763 tors. eta vs tors. theta energy: -6.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -76.705155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.705155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.705155 (E_RNA) where: Base-Base interactions energy: -31.518 where: short stacking energy: -31.434 Base-Backbone interact. energy: -0.580 local terms energy: -44.607026 where: bonds (distance) C4'-P energy: -9.752 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -11.848 flat angles P-C4'-P energy: -9.206 tors. eta vs tors. theta energy: -0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -159.071182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.071182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.071182 (E_RNA) where: Base-Base interactions energy: -93.775 where: short stacking energy: -63.989 Base-Backbone interact. energy: -0.003 local terms energy: -65.293334 where: bonds (distance) C4'-P energy: -14.616 bonds (distance) P-C4' energy: -11.517 flat angles C4'-P-C4' energy: -15.467 flat angles P-C4'-P energy: -9.475 tors. eta vs tors. theta energy: -14.218 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: 6 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -151.322226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.322226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.322226 (E_RNA) where: Base-Base interactions energy: -91.621 where: short stacking energy: -57.631 Base-Backbone interact. energy: -0.106 local terms energy: -59.595462 where: bonds (distance) C4'-P energy: -8.671 bonds (distance) P-C4' energy: -13.833 flat angles C4'-P-C4' energy: -11.493 flat angles P-C4'-P energy: -9.500 tors. eta vs tors. theta energy: -16.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -145.062949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.062949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.062949 (E_RNA) where: Base-Base interactions energy: -85.656 where: short stacking energy: -52.957 Base-Backbone interact. energy: -1.018 local terms energy: -58.388908 where: bonds (distance) C4'-P energy: -11.254 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -10.853 flat angles P-C4'-P energy: -10.241 tors. eta vs tors. theta energy: -11.674 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: 3 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -135.666633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.666633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.666633 (E_RNA) where: Base-Base interactions energy: -82.644 where: short stacking energy: -45.970 Base-Backbone interact. energy: -0.033 local terms energy: -52.989250 where: bonds (distance) C4'-P energy: -11.001 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -11.374 flat angles P-C4'-P energy: -7.105 tors. eta vs tors. theta energy: -9.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -100.119542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.119542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.119542 (E_RNA) where: Base-Base interactions energy: -51.497 where: short stacking energy: -51.497 Base-Backbone interact. energy: -0.091 local terms energy: -48.531598 where: bonds (distance) C4'-P energy: -8.314 bonds (distance) P-C4' energy: -10.614 flat angles C4'-P-C4' energy: -11.051 flat angles P-C4'-P energy: -9.090 tors. eta vs tors. theta energy: -9.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -102.163184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.163184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.163184 (E_RNA) where: Base-Base interactions energy: -46.141 where: short stacking energy: -41.940 Base-Backbone interact. energy: -0.147 local terms energy: -55.875651 where: bonds (distance) C4'-P energy: -9.473 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -12.965 flat angles P-C4'-P energy: -11.061 tors. eta vs tors. theta energy: -9.531 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: -101.383183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.383183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.383183 (E_RNA) where: Base-Base interactions energy: -53.717 where: short stacking energy: -48.073 Base-Backbone interact. energy: -0.003 local terms energy: -47.663885 where: bonds (distance) C4'-P energy: -6.555 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -11.168 flat angles P-C4'-P energy: -8.448 tors. eta vs tors. theta energy: -8.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -86.964974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.964974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.964974 (E_RNA) where: Base-Base interactions energy: -41.799 where: short stacking energy: -41.799 Base-Backbone interact. energy: -0.065 local terms energy: -45.100480 where: bonds (distance) C4'-P energy: -7.255 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -11.042 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -8.875 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: 7 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -80.964784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.964784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.964784 (E_RNA) where: Base-Base interactions energy: -31.715 where: short stacking energy: -28.941 Base-Backbone interact. energy: -0.175 local terms energy: -49.074978 where: bonds (distance) C4'-P energy: -14.053 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -10.894 flat angles P-C4'-P energy: -9.160 tors. eta vs tors. theta energy: -1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -76.093036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.093036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.093036 (E_RNA) where: Base-Base interactions energy: -38.417 where: short stacking energy: -38.417 Base-Backbone interact. energy: 0.309 local terms energy: -37.985296 where: bonds (distance) C4'-P energy: -12.170 bonds (distance) P-C4' energy: -6.694 flat angles C4'-P-C4' energy: -10.577 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -154.812888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.812888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.812888 (E_RNA) where: Base-Base interactions energy: -93.560 where: short stacking energy: -66.310 Base-Backbone interact. energy: -0.003 local terms energy: -61.249798 where: bonds (distance) C4'-P energy: -12.562 bonds (distance) P-C4' energy: -15.323 flat angles C4'-P-C4' energy: -14.075 flat angles P-C4'-P energy: -6.520 tors. eta vs tors. theta energy: -12.770 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: 2, replica: 6 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -144.267467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.267467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.267467 (E_RNA) where: Base-Base interactions energy: -85.077 where: short stacking energy: -48.343 Base-Backbone interact. energy: 0.596 local terms energy: -59.786476 where: bonds (distance) C4'-P energy: -12.132 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -13.307 flat angles P-C4'-P energy: -8.265 tors. eta vs tors. theta energy: -11.222 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: 3 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -140.868268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.868268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.868268 (E_RNA) where: Base-Base interactions energy: -84.223 where: short stacking energy: -50.906 Base-Backbone interact. energy: -0.019 local terms energy: -56.626939 where: bonds (distance) C4'-P energy: -13.310 bonds (distance) P-C4' energy: -12.716 flat angles C4'-P-C4' energy: -12.684 flat angles P-C4'-P energy: -9.049 tors. eta vs tors. theta energy: -8.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -145.469348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.469348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.469348 (E_RNA) where: Base-Base interactions energy: -90.108 where: short stacking energy: -53.922 Base-Backbone interact. energy: -0.014 local terms energy: -55.347775 where: bonds (distance) C4'-P energy: -10.571 bonds (distance) P-C4' energy: -10.907 flat angles C4'-P-C4' energy: -12.566 flat angles P-C4'-P energy: -7.512 tors. eta vs tors. theta energy: -13.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -94.499105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.499105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.499105 (E_RNA) where: Base-Base interactions energy: -41.522 where: short stacking energy: -41.522 Base-Backbone interact. energy: -0.252 local terms energy: -52.725436 where: bonds (distance) C4'-P energy: -14.190 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -14.247 flat angles P-C4'-P energy: -6.419 tors. eta vs tors. theta energy: -3.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -91.252906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.252906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.252906 (E_RNA) where: Base-Base interactions energy: -42.206 where: short stacking energy: -42.206 Base-Backbone interact. energy: -0.078 local terms energy: -48.968887 where: bonds (distance) C4'-P energy: -10.464 bonds (distance) P-C4' energy: -13.412 flat angles C4'-P-C4' energy: -12.357 flat angles P-C4'-P energy: -7.354 tors. eta vs tors. theta energy: -5.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -82.189063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.189063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.189063 (E_RNA) where: Base-Base interactions energy: -40.698 where: short stacking energy: -37.693 Base-Backbone interact. energy: -0.222 local terms energy: -41.268731 where: bonds (distance) C4'-P energy: -10.542 bonds (distance) P-C4' energy: -11.684 flat angles C4'-P-C4' energy: -9.827 flat angles P-C4'-P energy: -7.720 tors. eta vs tors. theta energy: -1.496 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: 8 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -76.802091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.802091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.802091 (E_RNA) where: Base-Base interactions energy: -39.547 where: short stacking energy: -39.547 Base-Backbone interact. energy: 0.391 local terms energy: -37.645573 where: bonds (distance) C4'-P energy: -7.183 bonds (distance) P-C4' energy: -8.795 flat angles C4'-P-C4' energy: -9.996 flat angles P-C4'-P energy: -6.869 tors. eta vs tors. theta energy: -4.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -72.411682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.411682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.411682 (E_RNA) where: Base-Base interactions energy: -27.929 where: short stacking energy: -15.292 Base-Backbone interact. energy: -1.137 local terms energy: -43.345497 where: bonds (distance) C4'-P energy: -12.831 bonds (distance) P-C4' energy: -16.218 flat angles C4'-P-C4' energy: -7.363 flat angles P-C4'-P energy: -8.397 tors. eta vs tors. theta energy: 1.464 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: 7 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -71.737143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.737143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.737143 (E_RNA) where: Base-Base interactions energy: -26.815 where: short stacking energy: -23.761 Base-Backbone interact. energy: 0.183 local terms energy: -45.105271 where: bonds (distance) C4'-P energy: -8.112 bonds (distance) P-C4' energy: -12.389 flat angles C4'-P-C4' energy: -10.701 flat angles P-C4'-P energy: -7.718 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: 351 Temperature: 0.900000 Total energy: -148.209027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.209027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.209027 (E_RNA) where: Base-Base interactions energy: -86.333 where: short stacking energy: -60.399 Base-Backbone interact. energy: -0.005 local terms energy: -61.871319 where: bonds (distance) C4'-P energy: -13.171 bonds (distance) P-C4' energy: -12.746 flat angles C4'-P-C4' energy: -11.874 flat angles P-C4'-P energy: -10.192 tors. eta vs tors. theta energy: -13.889 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: 6 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -151.468629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.468629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.468629 (E_RNA) where: Base-Base interactions energy: -92.717 where: short stacking energy: -52.975 Base-Backbone interact. energy: -0.001 local terms energy: -58.751180 where: bonds (distance) C4'-P energy: -13.109 bonds (distance) P-C4' energy: -12.684 flat angles C4'-P-C4' energy: -14.986 flat angles P-C4'-P energy: -3.932 tors. eta vs tors. theta energy: -14.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -145.651667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.651667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.651667 (E_RNA) where: Base-Base interactions energy: -94.084 where: short stacking energy: -48.324 Base-Backbone interact. energy: -0.364 local terms energy: -51.204399 where: bonds (distance) C4'-P energy: -12.435 bonds (distance) P-C4' energy: -9.944 flat angles C4'-P-C4' energy: -13.441 flat angles P-C4'-P energy: -6.449 tors. eta vs tors. theta energy: -8.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -140.683386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.683386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.683386 (E_RNA) where: Base-Base interactions energy: -82.736 where: short stacking energy: -52.662 Base-Backbone interact. energy: -0.019 local terms energy: -57.928516 where: bonds (distance) C4'-P energy: -10.868 bonds (distance) P-C4' energy: -14.007 flat angles C4'-P-C4' energy: -11.284 flat angles P-C4'-P energy: -9.516 tors. eta vs tors. theta energy: -12.254 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: 1 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -101.903120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.903120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.903120 (E_RNA) where: Base-Base interactions energy: -44.856 where: short stacking energy: -44.856 Base-Backbone interact. energy: -0.011 local terms energy: -57.037021 where: bonds (distance) C4'-P energy: -14.293 bonds (distance) P-C4' energy: -14.188 flat angles C4'-P-C4' energy: -9.008 flat angles P-C4'-P energy: -7.720 tors. eta vs tors. theta energy: -11.828 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: 9 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -107.299992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.299992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.299992 (E_RNA) where: Base-Base interactions energy: -52.833 where: short stacking energy: -42.374 Base-Backbone interact. energy: -0.099 local terms energy: -54.368131 where: bonds (distance) C4'-P energy: -11.891 bonds (distance) P-C4' energy: -12.637 flat angles C4'-P-C4' energy: -10.166 flat angles P-C4'-P energy: -9.209 tors. eta vs tors. theta energy: -10.465 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: 7, replica: 4 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -86.833936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.833936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.833936 (E_RNA) where: Base-Base interactions energy: -40.707 where: short stacking energy: -40.707 Base-Backbone interact. energy: -0.403 local terms energy: -45.723562 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -11.059 flat angles C4'-P-C4' energy: -11.870 flat angles P-C4'-P energy: -8.657 tors. eta vs tors. theta energy: -7.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -88.064235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.064235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.064235 (E_RNA) where: Base-Base interactions energy: -43.929 where: short stacking energy: -26.769 Base-Backbone interact. energy: -0.046 local terms energy: -44.088818 where: bonds (distance) C4'-P energy: -10.289 bonds (distance) P-C4' energy: -10.905 flat angles C4'-P-C4' energy: -13.182 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -4.484 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: 8 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -97.015544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.015544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.015544 (E_RNA) where: Base-Base interactions energy: -43.720 where: short stacking energy: -43.143 Base-Backbone interact. energy: -0.000 local terms energy: -53.294899 where: bonds (distance) C4'-P energy: -10.567 bonds (distance) P-C4' energy: -10.471 flat angles C4'-P-C4' energy: -10.993 flat angles P-C4'-P energy: -7.845 tors. eta vs tors. theta energy: -13.418 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: 7 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -85.903356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.903356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.903356 (E_RNA) where: Base-Base interactions energy: -38.194 where: short stacking energy: -38.194 Base-Backbone interact. energy: -0.023 local terms energy: -47.685760 where: bonds (distance) C4'-P energy: -8.750 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -14.898 flat angles P-C4'-P energy: -4.697 tors. eta vs tors. theta energy: -5.626 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: 352 Temperature: 0.900000 Total energy: -150.547455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.547455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.547455 (E_RNA) where: Base-Base interactions energy: -88.143 where: short stacking energy: -57.041 Base-Backbone interact. energy: -0.217 local terms energy: -62.187297 where: bonds (distance) C4'-P energy: -12.077 bonds (distance) P-C4' energy: -13.468 flat angles C4'-P-C4' energy: -13.923 flat angles P-C4'-P energy: -11.009 tors. eta vs tors. theta energy: -11.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -148.434462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.434462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.434462 (E_RNA) where: Base-Base interactions energy: -85.541 where: short stacking energy: -56.136 Base-Backbone interact. energy: -0.004 local terms energy: -62.890152 where: bonds (distance) C4'-P energy: -13.195 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -12.751 flat angles P-C4'-P energy: -10.120 tors. eta vs tors. theta energy: -12.411 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: 2 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -129.532649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.532649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.532649 (E_RNA) where: Base-Base interactions energy: -74.334 where: short stacking energy: -48.233 Base-Backbone interact. energy: -0.008 local terms energy: -55.190636 where: bonds (distance) C4'-P energy: -13.689 bonds (distance) P-C4' energy: -13.047 flat angles C4'-P-C4' energy: -9.194 flat angles P-C4'-P energy: -8.282 tors. eta vs tors. theta energy: -10.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -131.616818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.616818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.616818 (E_RNA) where: Base-Base interactions energy: -84.271 where: short stacking energy: -50.298 Base-Backbone interact. energy: -0.044 local terms energy: -47.301411 where: bonds (distance) C4'-P energy: -13.183 bonds (distance) P-C4' energy: -5.539 flat angles C4'-P-C4' energy: -9.595 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -13.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -96.296923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.296923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.296923 (E_RNA) where: Base-Base interactions energy: -43.754 where: short stacking energy: -43.754 Base-Backbone interact. energy: -0.057 local terms energy: -52.485564 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -12.747 flat angles C4'-P-C4' energy: -9.961 flat angles P-C4'-P energy: -7.718 tors. eta vs tors. theta energy: -8.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -93.371157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.371157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.371157 (E_RNA) where: Base-Base interactions energy: -38.433 where: short stacking energy: -38.433 Base-Backbone interact. energy: -0.237 local terms energy: -54.701191 where: bonds (distance) C4'-P energy: -9.503 bonds (distance) P-C4' energy: -14.468 flat angles C4'-P-C4' energy: -11.394 flat angles P-C4'-P energy: -9.024 tors. eta vs tors. theta energy: -10.312 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: 7, replica: 5 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -117.370751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.370751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.370751 (E_RNA) where: Base-Base interactions energy: -69.515 where: short stacking energy: -39.943 Base-Backbone interact. energy: -0.037 local terms energy: -47.818699 where: bonds (distance) C4'-P energy: -10.731 bonds (distance) P-C4' energy: -11.639 flat angles C4'-P-C4' energy: -11.853 flat angles P-C4'-P energy: -6.343 tors. eta vs tors. theta energy: -7.253 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: 8, replica: 4 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -93.735803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.735803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.735803 (E_RNA) where: Base-Base interactions energy: -38.382 where: short stacking energy: -38.382 Base-Backbone interact. energy: -0.103 local terms energy: -55.251605 where: bonds (distance) C4'-P energy: -13.776 bonds (distance) P-C4' energy: -11.703 flat angles C4'-P-C4' energy: -10.315 flat angles P-C4'-P energy: -9.399 tors. eta vs tors. theta energy: -10.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -84.640955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.640955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.640955 (E_RNA) where: Base-Base interactions energy: -43.864 where: short stacking energy: -32.241 Base-Backbone interact. energy: -0.925 local terms energy: -39.852203 where: bonds (distance) C4'-P energy: -8.210 bonds (distance) P-C4' energy: -14.449 flat angles C4'-P-C4' energy: -9.818 flat angles P-C4'-P energy: -6.047 tors. eta vs tors. theta energy: -1.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -72.055543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.055543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.055543 (E_RNA) where: Base-Base interactions energy: -28.308 where: short stacking energy: -28.308 Base-Backbone interact. energy: -0.071 local terms energy: -43.676755 where: bonds (distance) C4'-P energy: -8.244 bonds (distance) P-C4' energy: -12.219 flat angles C4'-P-C4' energy: -11.671 flat angles P-C4'-P energy: -8.643 tors. eta vs tors. theta energy: -2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -149.969522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.969522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.969522 (E_RNA) where: Base-Base interactions energy: -84.163 where: short stacking energy: -54.256 Base-Backbone interact. energy: -0.382 local terms energy: -65.424629 where: bonds (distance) C4'-P energy: -15.319 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -13.325 flat angles P-C4'-P energy: -9.721 tors. eta vs tors. theta energy: -11.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -152.865131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.865131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.865131 (E_RNA) where: Base-Base interactions energy: -96.429 where: short stacking energy: -52.336 Base-Backbone interact. energy: -0.247 local terms energy: -56.188900 where: bonds (distance) C4'-P energy: -15.295 bonds (distance) P-C4' energy: -14.317 flat angles C4'-P-C4' energy: -11.806 flat angles P-C4'-P energy: -6.021 tors. eta vs tors. theta energy: -8.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -139.532681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.532681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.532681 (E_RNA) where: Base-Base interactions energy: -84.272 where: short stacking energy: -50.853 Base-Backbone interact. energy: -0.107 local terms energy: -55.153655 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -14.018 flat angles C4'-P-C4' energy: -9.540 flat angles P-C4'-P energy: -7.101 tors. eta vs tors. theta energy: -10.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -136.864873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.864873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.864873 (E_RNA) where: Base-Base interactions energy: -77.228 where: short stacking energy: -49.012 Base-Backbone interact. energy: -0.001 local terms energy: -59.635506 where: bonds (distance) C4'-P energy: -12.503 bonds (distance) P-C4' energy: -14.529 flat angles C4'-P-C4' energy: -12.820 flat angles P-C4'-P energy: -5.779 tors. eta vs tors. theta energy: -14.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -115.195019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.195019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.195019 (E_RNA) where: Base-Base interactions energy: -56.284 where: short stacking energy: -56.284 Base-Backbone interact. energy: -0.001 local terms energy: -58.909908 where: bonds (distance) C4'-P energy: -10.488 bonds (distance) P-C4' energy: -13.304 flat angles C4'-P-C4' energy: -14.694 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -14.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -118.131640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.131640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.131640 (E_RNA) where: Base-Base interactions energy: -65.659 where: short stacking energy: -32.702 Base-Backbone interact. energy: -1.340 local terms energy: -51.131899 where: bonds (distance) C4'-P energy: -9.602 bonds (distance) P-C4' energy: -14.780 flat angles C4'-P-C4' energy: -10.963 flat angles P-C4'-P energy: -9.175 tors. eta vs tors. theta energy: -6.613 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: 7, replica: 1 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -91.266024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.266024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.266024 (E_RNA) where: Base-Base interactions energy: -46.313 where: short stacking energy: -33.709 Base-Backbone interact. energy: -1.093 local terms energy: -43.859744 where: bonds (distance) C4'-P energy: -11.006 bonds (distance) P-C4' energy: -12.097 flat angles C4'-P-C4' energy: -11.003 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -4.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -91.379114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.379114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.379114 (E_RNA) where: Base-Base interactions energy: -47.358 where: short stacking energy: -47.358 Base-Backbone interact. energy: -0.001 local terms energy: -44.020539 where: bonds (distance) C4'-P energy: -5.172 bonds (distance) P-C4' energy: -13.701 flat angles C4'-P-C4' energy: -11.266 flat angles P-C4'-P energy: -5.287 tors. eta vs tors. theta energy: -8.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -75.250361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.250361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.250361 (E_RNA) where: Base-Base interactions energy: -39.120 where: short stacking energy: -33.873 Base-Backbone interact. energy: -0.148 local terms energy: -35.982687 where: bonds (distance) C4'-P energy: -3.405 bonds (distance) P-C4' energy: -9.519 flat angles C4'-P-C4' energy: -9.444 flat angles P-C4'-P energy: -10.189 tors. eta vs tors. theta energy: -3.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -71.838837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.838837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.838837 (E_RNA) where: Base-Base interactions energy: -24.826 where: short stacking energy: -21.003 Base-Backbone interact. energy: -0.560 local terms energy: -46.452831 where: bonds (distance) C4'-P energy: -14.388 bonds (distance) P-C4' energy: -13.808 flat angles C4'-P-C4' energy: -11.122 flat angles P-C4'-P energy: -7.181 tors. eta vs tors. theta energy: 0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -157.822160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.822160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.822160 (E_RNA) where: Base-Base interactions energy: -91.969 where: short stacking energy: -63.513 Base-Backbone interact. energy: -0.383 local terms energy: -65.469608 where: bonds (distance) C4'-P energy: -12.764 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -12.984 flat angles P-C4'-P energy: -9.860 tors. eta vs tors. theta energy: -14.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -151.112435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.112435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.112435 (E_RNA) where: Base-Base interactions energy: -90.823 where: short stacking energy: -56.528 Base-Backbone interact. energy: 0.022 local terms energy: -60.310742 where: bonds (distance) C4'-P energy: -13.866 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -10.378 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -12.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -154.210319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.210319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.210319 (E_RNA) where: Base-Base interactions energy: -91.672 where: short stacking energy: -58.180 Base-Backbone interact. energy: -0.067 local terms energy: -62.471151 where: bonds (distance) C4'-P energy: -12.752 bonds (distance) P-C4' energy: -14.514 flat angles C4'-P-C4' energy: -14.470 flat angles P-C4'-P energy: -6.370 tors. eta vs tors. theta energy: -14.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -141.052810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.052810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.052810 (E_RNA) where: Base-Base interactions energy: -84.906 where: short stacking energy: -54.192 Base-Backbone interact. energy: 0.028 local terms energy: -56.174392 where: bonds (distance) C4'-P energy: -9.477 bonds (distance) P-C4' energy: -13.244 flat angles C4'-P-C4' energy: -12.614 flat angles P-C4'-P energy: -6.685 tors. eta vs tors. theta energy: -14.154 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: 5, replica: 5 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -127.811348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.811348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.811348 (E_RNA) where: Base-Base interactions energy: -71.029 where: short stacking energy: -39.162 Base-Backbone interact. energy: -0.004 local terms energy: -56.778198 where: bonds (distance) C4'-P energy: -12.941 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -11.871 flat angles P-C4'-P energy: -11.799 tors. eta vs tors. theta energy: -8.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -125.473613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.473613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.473613 (E_RNA) where: Base-Base interactions energy: -78.538 where: short stacking energy: -49.246 Base-Backbone interact. energy: -0.037 local terms energy: -46.898636 where: bonds (distance) C4'-P energy: -8.290 bonds (distance) P-C4' energy: -10.486 flat angles C4'-P-C4' energy: -9.510 flat angles P-C4'-P energy: -8.933 tors. eta vs tors. theta energy: -9.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -90.555696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.555696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.555696 (E_RNA) where: Base-Base interactions energy: -39.864 where: short stacking energy: -36.063 Base-Backbone interact. energy: -0.008 local terms energy: -50.683056 where: bonds (distance) C4'-P energy: -12.235 bonds (distance) P-C4' energy: -11.290 flat angles C4'-P-C4' energy: -14.489 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -8.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -86.996562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.996562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.996562 (E_RNA) where: Base-Base interactions energy: -43.835 where: short stacking energy: -36.803 Base-Backbone interact. energy: -0.037 local terms energy: -43.124797 where: bonds (distance) C4'-P energy: -11.219 bonds (distance) P-C4' energy: -11.800 flat angles C4'-P-C4' energy: -7.406 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: -8.670 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: 8 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -80.297464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.297464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.297464 (E_RNA) where: Base-Base interactions energy: -47.490 where: short stacking energy: -34.529 Base-Backbone interact. energy: 0.131 local terms energy: -32.938427 where: bonds (distance) C4'-P energy: -11.961 bonds (distance) P-C4' energy: -7.880 flat angles C4'-P-C4' energy: -2.300 flat angles P-C4'-P energy: -8.690 tors. eta vs tors. theta energy: -2.107 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: 4 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -71.359196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.359196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.359196 (E_RNA) where: Base-Base interactions energy: -24.822 where: short stacking energy: -24.822 Base-Backbone interact. energy: -0.170 local terms energy: -46.367548 where: bonds (distance) C4'-P energy: -12.211 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -13.940 flat angles P-C4'-P energy: -6.713 tors. eta vs tors. theta energy: -0.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -154.584023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.584023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.584023 (E_RNA) where: Base-Base interactions energy: -88.133 where: short stacking energy: -60.878 Base-Backbone interact. energy: -0.002 local terms energy: -66.448908 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -14.887 flat angles C4'-P-C4' energy: -14.047 flat angles P-C4'-P energy: -11.403 tors. eta vs tors. theta energy: -12.640 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: 3 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -159.430351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.430351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.430351 (E_RNA) where: Base-Base interactions energy: -102.063 where: short stacking energy: -65.691 Base-Backbone interact. energy: -0.003 local terms energy: -57.364457 where: bonds (distance) C4'-P energy: -14.158 bonds (distance) P-C4' energy: -12.416 flat angles C4'-P-C4' energy: -12.252 flat angles P-C4'-P energy: -5.186 tors. eta vs tors. theta energy: -13.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -141.381206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.381206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.381206 (E_RNA) where: Base-Base interactions energy: -89.247 where: short stacking energy: -53.175 Base-Backbone interact. energy: -0.017 local terms energy: -52.117293 where: bonds (distance) C4'-P energy: -11.900 bonds (distance) P-C4' energy: -12.574 flat angles C4'-P-C4' energy: -12.642 flat angles P-C4'-P energy: -2.534 tors. eta vs tors. theta energy: -12.466 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: 355 Temperature: 1.050000 Total energy: -145.002473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.002473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.002473 (E_RNA) where: Base-Base interactions energy: -85.693 where: short stacking energy: -58.344 Base-Backbone interact. energy: -0.033 local terms energy: -59.276211 where: bonds (distance) C4'-P energy: -12.870 bonds (distance) P-C4' energy: -10.176 flat angles C4'-P-C4' energy: -11.806 flat angles P-C4'-P energy: -10.391 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: 5, replica: 2 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -134.805500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.805500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.805500 (E_RNA) where: Base-Base interactions energy: -79.845 where: short stacking energy: -43.300 Base-Backbone interact. energy: -1.396 local terms energy: -53.563789 where: bonds (distance) C4'-P energy: -11.131 bonds (distance) P-C4' energy: -12.740 flat angles C4'-P-C4' energy: -10.817 flat angles P-C4'-P energy: -8.201 tors. eta vs tors. theta energy: -10.675 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: 9 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -104.082362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.082362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.082362 (E_RNA) where: Base-Base interactions energy: -53.950 where: short stacking energy: -38.690 Base-Backbone interact. energy: -0.013 local terms energy: -50.119182 where: bonds (distance) C4'-P energy: -13.288 bonds (distance) P-C4' energy: -14.502 flat angles C4'-P-C4' energy: -12.177 flat angles P-C4'-P energy: -5.612 tors. eta vs tors. theta energy: -4.541 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: 7, replica: 7 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -92.618939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.618939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.618939 (E_RNA) where: Base-Base interactions energy: -40.510 where: short stacking energy: -40.510 Base-Backbone interact. energy: -0.022 local terms energy: -52.087074 where: bonds (distance) C4'-P energy: -9.251 bonds (distance) P-C4' energy: -13.157 flat angles C4'-P-C4' energy: -9.336 flat angles P-C4'-P energy: -11.243 tors. eta vs tors. theta energy: -9.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -94.708577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.708577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.708577 (E_RNA) where: Base-Base interactions energy: -47.524 where: short stacking energy: -34.230 Base-Backbone interact. energy: -0.049 local terms energy: -47.135153 where: bonds (distance) C4'-P energy: -11.006 bonds (distance) P-C4' energy: -14.432 flat angles C4'-P-C4' energy: -8.929 flat angles P-C4'-P energy: -7.332 tors. eta vs tors. theta energy: -5.438 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: 8 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -80.793408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.793408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.793408 (E_RNA) where: Base-Base interactions energy: -37.409 where: short stacking energy: -33.415 Base-Backbone interact. energy: -0.024 local terms energy: -43.360050 where: bonds (distance) C4'-P energy: -10.335 bonds (distance) P-C4' energy: -9.831 flat angles C4'-P-C4' energy: -13.302 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -5.604 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: 10, replica: 4 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -78.464774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.464774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.464774 (E_RNA) where: Base-Base interactions energy: -42.027 where: short stacking energy: -32.602 Base-Backbone interact. energy: 0.968 local terms energy: -37.405459 where: bonds (distance) C4'-P energy: -10.446 bonds (distance) P-C4' energy: -10.272 flat angles C4'-P-C4' energy: -7.689 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -5.787 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: 3 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -168.687814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.687814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.687814 (E_RNA) where: Base-Base interactions energy: -104.739 where: short stacking energy: -63.392 Base-Backbone interact. energy: -0.001 local terms energy: -63.948193 where: bonds (distance) C4'-P energy: -11.044 bonds (distance) P-C4' energy: -14.278 flat angles C4'-P-C4' energy: -13.533 flat angles P-C4'-P energy: -8.729 tors. eta vs tors. theta energy: -16.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -162.808097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.808097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.808097 (E_RNA) where: Base-Base interactions energy: -106.254 where: short stacking energy: -62.381 Base-Backbone interact. energy: 0.422 local terms energy: -56.975870 where: bonds (distance) C4'-P energy: -9.834 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -11.148 flat angles P-C4'-P energy: -9.651 tors. eta vs tors. theta energy: -12.335 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: 5 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -151.744025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.744025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.744025 (E_RNA) where: Base-Base interactions energy: -90.167 where: short stacking energy: -60.782 Base-Backbone interact. energy: -0.023 local terms energy: -61.554079 where: bonds (distance) C4'-P energy: -11.602 bonds (distance) P-C4' energy: -12.768 flat angles C4'-P-C4' energy: -14.317 flat angles P-C4'-P energy: -8.068 tors. eta vs tors. theta energy: -14.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -140.751908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.751908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.751908 (E_RNA) where: Base-Base interactions energy: -92.426 where: short stacking energy: -50.347 Base-Backbone interact. energy: -0.022 local terms energy: -48.303564 where: bonds (distance) C4'-P energy: -10.200 bonds (distance) P-C4' energy: -11.440 flat angles C4'-P-C4' energy: -13.048 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -9.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -133.074404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.074404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.074404 (E_RNA) where: Base-Base interactions energy: -77.861 where: short stacking energy: -50.584 Base-Backbone interact. energy: -0.008 local terms energy: -55.204979 where: bonds (distance) C4'-P energy: -10.265 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -11.721 flat angles P-C4'-P energy: -8.646 tors. eta vs tors. theta energy: -10.644 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: 9 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -101.788942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.788942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.788942 (E_RNA) where: Base-Base interactions energy: -44.909 where: short stacking energy: -44.909 Base-Backbone interact. energy: -0.083 local terms energy: -56.797086 where: bonds (distance) C4'-P energy: -10.823 bonds (distance) P-C4' energy: -13.601 flat angles C4'-P-C4' energy: -12.697 flat angles P-C4'-P energy: -11.476 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: 7, replica: 1 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -85.105007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.105007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.105007 (E_RNA) where: Base-Base interactions energy: -38.641 where: short stacking energy: -38.641 Base-Backbone interact. energy: -0.043 local terms energy: -46.421141 where: bonds (distance) C4'-P energy: -12.100 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -9.144 flat angles P-C4'-P energy: -7.481 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -79.645075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.645075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.645075 (E_RNA) where: Base-Base interactions energy: -36.728 where: short stacking energy: -29.002 Base-Backbone interact. energy: -0.183 local terms energy: -42.734368 where: bonds (distance) C4'-P energy: -7.788 bonds (distance) P-C4' energy: -11.932 flat angles C4'-P-C4' energy: -10.161 flat angles P-C4'-P energy: -8.048 tors. eta vs tors. theta energy: -4.805 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: 4 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -74.016132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.016132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.016132 (E_RNA) where: Base-Base interactions energy: -37.185 where: short stacking energy: -36.447 Base-Backbone interact. energy: 0.752 local terms energy: -37.583035 where: bonds (distance) C4'-P energy: -9.295 bonds (distance) P-C4' energy: -12.997 flat angles C4'-P-C4' energy: -7.416 flat angles P-C4'-P energy: -5.984 tors. eta vs tors. theta energy: -1.892 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: 8 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -73.190883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.190883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.190883 (E_RNA) where: Base-Base interactions energy: -30.318 where: short stacking energy: -29.593 Base-Backbone interact. energy: -0.161 local terms energy: -42.711935 where: bonds (distance) C4'-P energy: -8.795 bonds (distance) P-C4' energy: -13.364 flat angles C4'-P-C4' energy: -12.235 flat angles P-C4'-P energy: -6.213 tors. eta vs tors. theta energy: -2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -170.191967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.191967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.191967 (E_RNA) where: Base-Base interactions energy: -103.669 where: short stacking energy: -66.431 Base-Backbone interact. energy: -0.013 local terms energy: -66.510061 where: bonds (distance) C4'-P energy: -12.108 bonds (distance) P-C4' energy: -13.621 flat angles C4'-P-C4' energy: -14.756 flat angles P-C4'-P energy: -8.185 tors. eta vs tors. theta energy: -17.840 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: 5 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -155.521632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.521632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.521632 (E_RNA) where: Base-Base interactions energy: -95.994 where: short stacking energy: -64.086 Base-Backbone interact. energy: -0.006 local terms energy: -59.521945 where: bonds (distance) C4'-P energy: -13.001 bonds (distance) P-C4' energy: -11.114 flat angles C4'-P-C4' energy: -12.502 flat angles P-C4'-P energy: -9.142 tors. eta vs tors. theta energy: -13.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -152.079075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.079075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.079075 (E_RNA) where: Base-Base interactions energy: -90.690 where: short stacking energy: -55.918 Base-Backbone interact. energy: -0.893 local terms energy: -60.496206 where: bonds (distance) C4'-P energy: -14.003 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -10.835 flat angles P-C4'-P energy: -6.658 tors. eta vs tors. theta energy: -14.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -140.483729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.483729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.483729 (E_RNA) where: Base-Base interactions energy: -85.514 where: short stacking energy: -54.844 Base-Backbone interact. energy: 0.589 local terms energy: -55.558942 where: bonds (distance) C4'-P energy: -8.815 bonds (distance) P-C4' energy: -10.997 flat angles C4'-P-C4' energy: -11.899 flat angles P-C4'-P energy: -9.815 tors. eta vs tors. theta energy: -14.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -132.892538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.892538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.892538 (E_RNA) where: Base-Base interactions energy: -83.543 where: short stacking energy: -51.272 Base-Backbone interact. energy: -0.212 local terms energy: -49.137120 where: bonds (distance) C4'-P energy: -8.720 bonds (distance) P-C4' energy: -12.939 flat angles C4'-P-C4' energy: -12.886 flat angles P-C4'-P energy: -2.703 tors. eta vs tors. theta energy: -11.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -110.973878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.973878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.973878 (E_RNA) where: Base-Base interactions energy: -55.081 where: short stacking energy: -49.189 Base-Backbone interact. energy: 0.799 local terms energy: -56.692089 where: bonds (distance) C4'-P energy: -12.489 bonds (distance) P-C4' energy: -14.174 flat angles C4'-P-C4' energy: -14.658 flat angles P-C4'-P energy: -7.065 tors. eta vs tors. theta energy: -8.307 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: 9 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -87.154428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.154428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.154428 (E_RNA) where: Base-Base interactions energy: -40.492 where: short stacking energy: -40.492 Base-Backbone interact. energy: -0.070 local terms energy: -46.592443 where: bonds (distance) C4'-P energy: -9.519 bonds (distance) P-C4' energy: -14.921 flat angles C4'-P-C4' energy: -11.281 flat angles P-C4'-P energy: -1.916 tors. eta vs tors. theta energy: -8.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -89.804635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.804635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.804635 (E_RNA) where: Base-Base interactions energy: -44.772 where: short stacking energy: -34.794 Base-Backbone interact. energy: -0.981 local terms energy: -44.051321 where: bonds (distance) C4'-P energy: -8.459 bonds (distance) P-C4' energy: -12.341 flat angles C4'-P-C4' energy: -11.063 flat angles P-C4'-P energy: -9.269 tors. eta vs tors. theta energy: -2.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -83.848514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.848514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.848514 (E_RNA) where: Base-Base interactions energy: -35.854 where: short stacking energy: -35.854 Base-Backbone interact. energy: 0.359 local terms energy: -48.354159 where: bonds (distance) C4'-P energy: -14.075 bonds (distance) P-C4' energy: -10.271 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -8.224 tors. eta vs tors. theta energy: -9.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -75.137053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.137053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.137053 (E_RNA) where: Base-Base interactions energy: -28.100 where: short stacking energy: -27.304 Base-Backbone interact. energy: -0.169 local terms energy: -46.868214 where: bonds (distance) C4'-P energy: -12.789 bonds (distance) P-C4' energy: -12.934 flat angles C4'-P-C4' energy: -11.037 flat angles P-C4'-P energy: -9.691 tors. eta vs tors. theta energy: -0.417 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: 5 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -164.784131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.784131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.784131 (E_RNA) where: Base-Base interactions energy: -100.538 where: short stacking energy: -60.869 Base-Backbone interact. energy: -0.023 local terms energy: -64.222854 where: bonds (distance) C4'-P energy: -15.509 bonds (distance) P-C4' energy: -11.645 flat angles C4'-P-C4' energy: -14.168 flat angles P-C4'-P energy: -9.776 tors. eta vs tors. theta energy: -13.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -167.362523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.362523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.362523 (E_RNA) where: Base-Base interactions energy: -100.652 where: short stacking energy: -63.578 Base-Backbone interact. energy: -0.374 local terms energy: -66.336279 where: bonds (distance) C4'-P energy: -13.395 bonds (distance) P-C4' energy: -13.100 flat angles C4'-P-C4' energy: -11.622 flat angles P-C4'-P energy: -10.595 tors. eta vs tors. theta energy: -17.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -143.830841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.830841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.830841 (E_RNA) where: Base-Base interactions energy: -81.595 where: short stacking energy: -51.585 Base-Backbone interact. energy: -0.007 local terms energy: -62.228399 where: bonds (distance) C4'-P energy: -14.156 bonds (distance) P-C4' energy: -14.660 flat angles C4'-P-C4' energy: -14.795 flat angles P-C4'-P energy: -7.571 tors. eta vs tors. theta energy: -11.046 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: 4, replica: 10 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -143.101684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.101684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.101684 (E_RNA) where: Base-Base interactions energy: -89.773 where: short stacking energy: -52.597 Base-Backbone interact. energy: -0.018 local terms energy: -53.310376 where: bonds (distance) C4'-P energy: -14.574 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -13.729 flat angles P-C4'-P energy: -7.641 tors. eta vs tors. theta energy: -8.039 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: 6 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -131.652532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.652532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.652532 (E_RNA) where: Base-Base interactions energy: -86.681 where: short stacking energy: -50.794 Base-Backbone interact. energy: -0.024 local terms energy: -44.947667 where: bonds (distance) C4'-P energy: -12.024 bonds (distance) P-C4' energy: -8.380 flat angles C4'-P-C4' energy: -11.844 flat angles P-C4'-P energy: -5.831 tors. eta vs tors. theta energy: -6.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -101.946614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.946614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.946614 (E_RNA) where: Base-Base interactions energy: -53.328 where: short stacking energy: -38.595 Base-Backbone interact. energy: -1.361 local terms energy: -47.258056 where: bonds (distance) C4'-P energy: -12.594 bonds (distance) P-C4' energy: -8.944 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -8.011 tors. eta vs tors. theta energy: -9.630 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: 4 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -95.230176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.230176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.230176 (E_RNA) where: Base-Base interactions energy: -46.107 where: short stacking energy: -30.548 Base-Backbone interact. energy: -0.637 local terms energy: -48.485972 where: bonds (distance) C4'-P energy: -11.220 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -12.436 flat angles P-C4'-P energy: -8.535 tors. eta vs tors. theta energy: -1.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -84.712730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.712730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.712730 (E_RNA) where: Base-Base interactions energy: -37.407 where: short stacking energy: -37.268 Base-Backbone interact. energy: -0.086 local terms energy: -47.219713 where: bonds (distance) C4'-P energy: -11.685 bonds (distance) P-C4' energy: -13.009 flat angles C4'-P-C4' energy: -10.499 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -5.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -76.895755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.895755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.895755 (E_RNA) where: Base-Base interactions energy: -36.602 where: short stacking energy: -36.602 Base-Backbone interact. energy: -0.000 local terms energy: -40.293957 where: bonds (distance) C4'-P energy: -12.090 bonds (distance) P-C4' energy: -11.898 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -6.120 tors. eta vs tors. theta energy: -3.362 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: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -74.291031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.291031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.291031 (E_RNA) where: Base-Base interactions energy: -30.121 where: short stacking energy: -30.121 Base-Backbone interact. energy: -0.008 local terms energy: -44.162442 where: bonds (distance) C4'-P energy: -11.039 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -9.934 flat angles P-C4'-P energy: -2.435 tors. eta vs tors. theta energy: -6.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -168.053383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.053383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.053383 (E_RNA) where: Base-Base interactions energy: -100.332 where: short stacking energy: -60.615 Base-Backbone interact. energy: -0.539 local terms energy: -67.182355 where: bonds (distance) C4'-P energy: -11.780 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -14.415 flat angles P-C4'-P energy: -11.609 tors. eta vs tors. theta energy: -15.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -157.877522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.877522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.877522 (E_RNA) where: Base-Base interactions energy: -92.776 where: short stacking energy: -55.057 Base-Backbone interact. energy: -0.019 local terms energy: -65.081854 where: bonds (distance) C4'-P energy: -12.065 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -14.863 flat angles P-C4'-P energy: -9.733 tors. eta vs tors. theta energy: -12.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -146.272042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.272042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.272042 (E_RNA) where: Base-Base interactions energy: -90.070 where: short stacking energy: -52.709 Base-Backbone interact. energy: -0.001 local terms energy: -56.200835 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -10.575 flat angles C4'-P-C4' energy: -13.341 flat angles P-C4'-P energy: -6.567 tors. eta vs tors. theta energy: -11.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -139.072645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.072645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.072645 (E_RNA) where: Base-Base interactions energy: -88.400 where: short stacking energy: -53.977 Base-Backbone interact. energy: -0.074 local terms energy: -50.598239 where: bonds (distance) C4'-P energy: -9.271 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -11.108 flat angles P-C4'-P energy: -6.511 tors. eta vs tors. theta energy: -9.732 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: 5, replica: 6 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -126.137736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.137736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.137736 (E_RNA) where: Base-Base interactions energy: -76.153 where: short stacking energy: -45.359 Base-Backbone interact. energy: 1.123 local terms energy: -51.108031 where: bonds (distance) C4'-P energy: -11.470 bonds (distance) P-C4' energy: -13.361 flat angles C4'-P-C4' energy: -13.198 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -5.465 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: 4 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -92.876842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.876842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.876842 (E_RNA) where: Base-Base interactions energy: -45.039 where: short stacking energy: -44.062 Base-Backbone interact. energy: -1.523 local terms energy: -46.315259 where: bonds (distance) C4'-P energy: -10.560 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -13.127 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -9.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -90.548308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.548308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.548308 (E_RNA) where: Base-Base interactions energy: -33.426 where: short stacking energy: -33.426 Base-Backbone interact. energy: -0.034 local terms energy: -57.088149 where: bonds (distance) C4'-P energy: -13.485 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -13.976 flat angles P-C4'-P energy: -9.140 tors. eta vs tors. theta energy: -5.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -76.656469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.656469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.656469 (E_RNA) where: Base-Base interactions energy: -36.588 where: short stacking energy: -24.690 Base-Backbone interact. energy: -0.591 local terms energy: -39.477732 where: bonds (distance) C4'-P energy: -10.444 bonds (distance) P-C4' energy: -11.453 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -9.325 tors. eta vs tors. theta energy: -1.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -78.777616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.777616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.777616 (E_RNA) where: Base-Base interactions energy: -32.715 where: short stacking energy: -28.121 Base-Backbone interact. energy: -0.122 local terms energy: -45.940775 where: bonds (distance) C4'-P energy: -9.801 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -11.416 flat angles P-C4'-P energy: -10.503 tors. eta vs tors. theta energy: -1.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -63.315706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.315706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.315706 (E_RNA) where: Base-Base interactions energy: -24.721 where: short stacking energy: -24.499 Base-Backbone interact. energy: -0.130 local terms energy: -38.464827 where: bonds (distance) C4'-P energy: -11.892 bonds (distance) P-C4' energy: -11.473 flat angles C4'-P-C4' energy: -9.674 flat angles P-C4'-P energy: -8.502 tors. eta vs tors. theta energy: 3.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -151.949779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.949779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.949779 (E_RNA) where: Base-Base interactions energy: -98.093 where: short stacking energy: -60.821 Base-Backbone interact. energy: -0.014 local terms energy: -53.842263 where: bonds (distance) C4'-P energy: -10.369 bonds (distance) P-C4' energy: -11.754 flat angles C4'-P-C4' energy: -9.797 flat angles P-C4'-P energy: -9.364 tors. eta vs tors. theta energy: -12.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -144.587376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.587376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.587376 (E_RNA) where: Base-Base interactions energy: -87.120 where: short stacking energy: -58.155 Base-Backbone interact. energy: -0.133 local terms energy: -57.334435 where: bonds (distance) C4'-P energy: -9.540 bonds (distance) P-C4' energy: -11.760 flat angles C4'-P-C4' energy: -13.604 flat angles P-C4'-P energy: -7.948 tors. eta vs tors. theta energy: -14.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -150.607887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.607887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.607887 (E_RNA) where: Base-Base interactions energy: -91.387 where: short stacking energy: -51.138 Base-Backbone interact. energy: -0.009 local terms energy: -59.211694 where: bonds (distance) C4'-P energy: -11.271 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -15.014 flat angles P-C4'-P energy: -11.185 tors. eta vs tors. theta energy: -8.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -147.453430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.453430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.453430 (E_RNA) where: Base-Base interactions energy: -90.576 where: short stacking energy: -56.464 Base-Backbone interact. energy: -0.106 local terms energy: -56.771451 where: bonds (distance) C4'-P energy: -11.584 bonds (distance) P-C4' energy: -9.062 flat angles C4'-P-C4' energy: -14.450 flat angles P-C4'-P energy: -10.674 tors. eta vs tors. theta energy: -11.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -105.653345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.653345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.653345 (E_RNA) where: Base-Base interactions energy: -59.246 where: short stacking energy: -45.140 Base-Backbone interact. energy: 2.366 local terms energy: -48.773740 where: bonds (distance) C4'-P energy: -11.485 bonds (distance) P-C4' energy: -11.554 flat angles C4'-P-C4' energy: -7.745 flat angles P-C4'-P energy: -10.328 tors. eta vs tors. theta energy: -7.662 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: 6 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -95.323260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.323260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.323260 (E_RNA) where: Base-Base interactions energy: -55.087 where: short stacking energy: -22.267 Base-Backbone interact. energy: -0.051 local terms energy: -40.185679 where: bonds (distance) C4'-P energy: -9.743 bonds (distance) P-C4' energy: -10.661 flat angles C4'-P-C4' energy: -11.728 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -3.274 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: 360 Temperature: 1.200000 Total energy: -99.281714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.281714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.281714 (E_RNA) where: Base-Base interactions energy: -44.685 where: short stacking energy: -39.582 Base-Backbone interact. energy: -0.046 local terms energy: -54.549794 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -12.538 flat angles P-C4'-P energy: -8.523 tors. eta vs tors. theta energy: -5.314 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: 1 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -86.945382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.945382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.945382 (E_RNA) where: Base-Base interactions energy: -38.261 where: short stacking energy: -38.261 Base-Backbone interact. energy: -0.000 local terms energy: -48.683974 where: bonds (distance) C4'-P energy: -10.599 bonds (distance) P-C4' energy: -10.155 flat angles C4'-P-C4' energy: -9.066 flat angles P-C4'-P energy: -6.692 tors. eta vs tors. theta energy: -12.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -80.789505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.789505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.789505 (E_RNA) where: Base-Base interactions energy: -38.729 where: short stacking energy: -38.729 Base-Backbone interact. energy: -0.036 local terms energy: -42.024684 where: bonds (distance) C4'-P energy: -8.368 bonds (distance) P-C4' energy: -8.103 flat angles C4'-P-C4' energy: -10.411 flat angles P-C4'-P energy: -8.525 tors. eta vs tors. theta energy: -6.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -81.465023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.465023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.465023 (E_RNA) where: Base-Base interactions energy: -36.474 where: short stacking energy: -36.474 Base-Backbone interact. energy: -0.385 local terms energy: -44.605808 where: bonds (distance) C4'-P energy: -13.283 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -11.735 flat angles P-C4'-P energy: -1.008 tors. eta vs tors. theta energy: -4.425 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: 3 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -156.582628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.582628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.582628 (E_RNA) where: Base-Base interactions energy: -99.480 where: short stacking energy: -61.762 Base-Backbone interact. energy: -0.216 local terms energy: -56.886479 where: bonds (distance) C4'-P energy: -12.603 bonds (distance) P-C4' energy: -14.921 flat angles C4'-P-C4' energy: -10.242 flat angles P-C4'-P energy: -8.482 tors. eta vs tors. theta energy: -10.639 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: 5 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -146.079836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.079836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.079836 (E_RNA) where: Base-Base interactions energy: -83.587 where: short stacking energy: -51.681 Base-Backbone interact. energy: -0.070 local terms energy: -62.423386 where: bonds (distance) C4'-P energy: -11.557 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -15.284 flat angles P-C4'-P energy: -8.877 tors. eta vs tors. theta energy: -12.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -140.952847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.952847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.952847 (E_RNA) where: Base-Base interactions energy: -82.708 where: short stacking energy: -47.718 Base-Backbone interact. energy: -0.721 local terms energy: -57.523597 where: bonds (distance) C4'-P energy: -12.307 bonds (distance) P-C4' energy: -14.010 flat angles C4'-P-C4' energy: -12.543 flat angles P-C4'-P energy: -9.161 tors. eta vs tors. theta energy: -9.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -135.583564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.583564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.583564 (E_RNA) where: Base-Base interactions energy: -73.720 where: short stacking energy: -46.816 Base-Backbone interact. energy: -0.001 local terms energy: -61.862363 where: bonds (distance) C4'-P energy: -10.615 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -13.895 flat angles P-C4'-P energy: -9.533 tors. eta vs tors. theta energy: -13.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -105.646581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.646581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.646581 (E_RNA) where: Base-Base interactions energy: -46.643 where: short stacking energy: -46.643 Base-Backbone interact. energy: -0.163 local terms energy: -58.841334 where: bonds (distance) C4'-P energy: -12.590 bonds (distance) P-C4' energy: -12.879 flat angles C4'-P-C4' energy: -11.706 flat angles P-C4'-P energy: -9.831 tors. eta vs tors. theta energy: -11.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -90.719788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.719788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.719788 (E_RNA) where: Base-Base interactions energy: -43.386 where: short stacking energy: -39.738 Base-Backbone interact. energy: -0.366 local terms energy: -46.967179 where: bonds (distance) C4'-P energy: -11.648 bonds (distance) P-C4' energy: -11.075 flat angles C4'-P-C4' energy: -11.834 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -7.256 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: 8 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -87.064711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.064711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.064711 (E_RNA) where: Base-Base interactions energy: -31.100 where: short stacking energy: -30.831 Base-Backbone interact. energy: -1.396 local terms energy: -54.568136 where: bonds (distance) C4'-P energy: -10.504 bonds (distance) P-C4' energy: -14.421 flat angles C4'-P-C4' energy: -13.233 flat angles P-C4'-P energy: -8.151 tors. eta vs tors. theta energy: -8.259 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: 1 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -79.919590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.919590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.919590 (E_RNA) where: Base-Base interactions energy: -35.141 where: short stacking energy: -32.913 Base-Backbone interact. energy: -0.057 local terms energy: -44.720995 where: bonds (distance) C4'-P energy: -9.415 bonds (distance) P-C4' energy: -13.406 flat angles C4'-P-C4' energy: -12.666 flat angles P-C4'-P energy: -6.985 tors. eta vs tors. theta energy: -2.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -94.701435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.701435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.701435 (E_RNA) where: Base-Base interactions energy: -49.453 where: short stacking energy: -31.900 Base-Backbone interact. energy: -0.078 local terms energy: -45.170964 where: bonds (distance) C4'-P energy: -10.446 bonds (distance) P-C4' energy: -12.451 flat angles C4'-P-C4' energy: -9.287 flat angles P-C4'-P energy: -5.585 tors. eta vs tors. theta energy: -7.402 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: 9 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -71.444100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.444100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.444100 (E_RNA) where: Base-Base interactions energy: -29.694 where: short stacking energy: -23.713 Base-Backbone interact. energy: -0.370 local terms energy: -41.380671 where: bonds (distance) C4'-P energy: -10.509 bonds (distance) P-C4' energy: -12.275 flat angles C4'-P-C4' energy: -8.920 flat angles P-C4'-P energy: -8.591 tors. eta vs tors. theta energy: -1.087 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: 3 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -154.027574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.027574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.027574 (E_RNA) where: Base-Base interactions energy: -91.665 where: short stacking energy: -62.795 Base-Backbone interact. energy: -0.004 local terms energy: -62.357986 where: bonds (distance) C4'-P energy: -12.256 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -12.353 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -18.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -151.886047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.886047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.886047 (E_RNA) where: Base-Base interactions energy: -87.725 where: short stacking energy: -56.941 Base-Backbone interact. energy: -0.009 local terms energy: -64.152287 where: bonds (distance) C4'-P energy: -13.821 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -14.038 flat angles P-C4'-P energy: -10.565 tors. eta vs tors. theta energy: -10.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -138.826933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.826933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.826933 (E_RNA) where: Base-Base interactions energy: -81.112 where: short stacking energy: -50.633 Base-Backbone interact. energy: -0.238 local terms energy: -57.476743 where: bonds (distance) C4'-P energy: -9.436 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -14.897 flat angles P-C4'-P energy: -10.757 tors. eta vs tors. theta energy: -8.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -133.530889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.530889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.530889 (E_RNA) where: Base-Base interactions energy: -81.857 where: short stacking energy: -49.613 Base-Backbone interact. energy: 0.351 local terms energy: -52.025758 where: bonds (distance) C4'-P energy: -11.744 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -10.982 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: -7.896 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: 5, replica: 6 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -98.914653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.914653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.914653 (E_RNA) where: Base-Base interactions energy: -45.835 where: short stacking energy: -33.329 Base-Backbone interact. energy: -0.199 local terms energy: -52.880938 where: bonds (distance) C4'-P energy: -14.515 bonds (distance) P-C4' energy: -15.700 flat angles C4'-P-C4' energy: -11.183 flat angles P-C4'-P energy: -7.679 tors. eta vs tors. theta energy: -3.804 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: 4 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -104.179261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.179261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.179261 (E_RNA) where: Base-Base interactions energy: -45.039 where: short stacking energy: -45.039 Base-Backbone interact. energy: -0.000 local terms energy: -59.140181 where: bonds (distance) C4'-P energy: -14.848 bonds (distance) P-C4' energy: -11.347 flat angles C4'-P-C4' energy: -10.770 flat angles P-C4'-P energy: -9.645 tors. eta vs tors. theta energy: -12.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -89.319663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.319663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.319663 (E_RNA) where: Base-Base interactions energy: -41.279 where: short stacking energy: -40.395 Base-Backbone interact. energy: -0.119 local terms energy: -47.921551 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -14.218 flat angles C4'-P-C4' energy: -10.962 flat angles P-C4'-P energy: -9.384 tors. eta vs tors. theta energy: -5.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -87.816777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.816777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.816777 (E_RNA) where: Base-Base interactions energy: -41.790 where: short stacking energy: -30.047 Base-Backbone interact. energy: 0.257 local terms energy: -46.284428 where: bonds (distance) C4'-P energy: -8.169 bonds (distance) P-C4' energy: -12.543 flat angles C4'-P-C4' energy: -9.735 flat angles P-C4'-P energy: -8.204 tors. eta vs tors. theta energy: -7.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -77.535968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.535968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.535968 (E_RNA) where: Base-Base interactions energy: -37.235 where: short stacking energy: -36.731 Base-Backbone interact. energy: -0.100 local terms energy: -40.201027 where: bonds (distance) C4'-P energy: -8.758 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -10.935 flat angles P-C4'-P energy: -5.719 tors. eta vs tors. theta energy: -1.295 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: 7 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -78.542855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.542855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.542855 (E_RNA) where: Base-Base interactions energy: -41.579 where: short stacking energy: -38.102 Base-Backbone interact. energy: -0.055 local terms energy: -36.908812 where: bonds (distance) C4'-P energy: -8.973 bonds (distance) P-C4' energy: -11.144 flat angles C4'-P-C4' energy: -5.320 flat angles P-C4'-P energy: -4.461 tors. eta vs tors. theta energy: -7.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -162.682479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.682479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.682479 (E_RNA) where: Base-Base interactions energy: -108.827 where: short stacking energy: -65.236 Base-Backbone interact. energy: -0.239 local terms energy: -53.616424 where: bonds (distance) C4'-P energy: -9.963 bonds (distance) P-C4' energy: -7.582 flat angles C4'-P-C4' energy: -13.967 flat angles P-C4'-P energy: -6.964 tors. eta vs tors. theta energy: -15.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -137.029261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.029261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.029261 (E_RNA) where: Base-Base interactions energy: -75.918 where: short stacking energy: -43.977 Base-Backbone interact. energy: -0.090 local terms energy: -61.020884 where: bonds (distance) C4'-P energy: -13.808 bonds (distance) P-C4' energy: -14.991 flat angles C4'-P-C4' energy: -11.391 flat angles P-C4'-P energy: -9.284 tors. eta vs tors. theta energy: -11.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -138.668635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.668635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.668635 (E_RNA) where: Base-Base interactions energy: -79.321 where: short stacking energy: -56.224 Base-Backbone interact. energy: -0.032 local terms energy: -59.316408 where: bonds (distance) C4'-P energy: -13.833 bonds (distance) P-C4' energy: -14.664 flat angles C4'-P-C4' energy: -10.264 flat angles P-C4'-P energy: -8.036 tors. eta vs tors. theta energy: -12.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -140.205144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.205144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.205144 (E_RNA) where: Base-Base interactions energy: -80.973 where: short stacking energy: -45.706 Base-Backbone interact. energy: -0.001 local terms energy: -59.230777 where: bonds (distance) C4'-P energy: -11.730 bonds (distance) P-C4' energy: -16.031 flat angles C4'-P-C4' energy: -11.681 flat angles P-C4'-P energy: -6.557 tors. eta vs tors. theta energy: -13.232 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: 6 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -95.248231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.248231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.248231 (E_RNA) where: Base-Base interactions energy: -45.826 where: short stacking energy: -45.826 Base-Backbone interact. energy: -0.248 local terms energy: -49.175096 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -12.627 flat angles C4'-P-C4' energy: -11.893 flat angles P-C4'-P energy: -8.352 tors. eta vs tors. theta energy: -3.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -93.285247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.285247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.285247 (E_RNA) where: Base-Base interactions energy: -48.263 where: short stacking energy: -33.294 Base-Backbone interact. energy: -0.178 local terms energy: -44.843598 where: bonds (distance) C4'-P energy: -12.789 bonds (distance) P-C4' energy: -12.729 flat angles C4'-P-C4' energy: -9.872 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -1.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -93.867160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.867160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.867160 (E_RNA) where: Base-Base interactions energy: -41.089 where: short stacking energy: -41.089 Base-Backbone interact. energy: -0.010 local terms energy: -52.767837 where: bonds (distance) C4'-P energy: -12.699 bonds (distance) P-C4' energy: -13.652 flat angles C4'-P-C4' energy: -11.018 flat angles P-C4'-P energy: -6.440 tors. eta vs tors. theta energy: -8.959 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: 9 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -81.057032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.057032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.057032 (E_RNA) where: Base-Base interactions energy: -33.063 where: short stacking energy: -32.035 Base-Backbone interact. energy: -0.145 local terms energy: -47.848922 where: bonds (distance) C4'-P energy: -11.324 bonds (distance) P-C4' energy: -12.351 flat angles C4'-P-C4' energy: -11.512 flat angles P-C4'-P energy: -6.306 tors. eta vs tors. theta energy: -6.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -78.638721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.638721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.638721 (E_RNA) where: Base-Base interactions energy: -22.823 where: short stacking energy: -22.823 Base-Backbone interact. energy: -0.015 local terms energy: -55.801295 where: bonds (distance) C4'-P energy: -14.342 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -12.175 flat angles P-C4'-P energy: -9.335 tors. eta vs tors. theta energy: -5.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -74.549556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.549556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.549556 (E_RNA) where: Base-Base interactions energy: -36.394 where: short stacking energy: -32.459 Base-Backbone interact. energy: -0.863 local terms energy: -37.292521 where: bonds (distance) C4'-P energy: -9.338 bonds (distance) P-C4' energy: -6.852 flat angles C4'-P-C4' energy: -13.561 flat angles P-C4'-P energy: -7.109 tors. eta vs tors. theta energy: -0.433 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: 1, replica: 3 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -153.206838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.206838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.206838 (E_RNA) where: Base-Base interactions energy: -93.987 where: short stacking energy: -58.202 Base-Backbone interact. energy: -0.039 local terms energy: -59.180988 where: bonds (distance) C4'-P energy: -14.662 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -13.331 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -12.226 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: 2 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -141.189470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.189470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.189470 (E_RNA) where: Base-Base interactions energy: -86.309 where: short stacking energy: -55.523 Base-Backbone interact. energy: -0.029 local terms energy: -54.852397 where: bonds (distance) C4'-P energy: -12.350 bonds (distance) P-C4' energy: -12.354 flat angles C4'-P-C4' energy: -13.627 flat angles P-C4'-P energy: -6.419 tors. eta vs tors. theta energy: -10.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -136.622639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.622639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.622639 (E_RNA) where: Base-Base interactions energy: -81.803 where: short stacking energy: -51.201 Base-Backbone interact. energy: -0.102 local terms energy: -54.718021 where: bonds (distance) C4'-P energy: -12.313 bonds (distance) P-C4' energy: -14.075 flat angles C4'-P-C4' energy: -10.951 flat angles P-C4'-P energy: -5.813 tors. eta vs tors. theta energy: -11.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -135.516814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.516814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.516814 (E_RNA) where: Base-Base interactions energy: -79.548 where: short stacking energy: -54.599 Base-Backbone interact. energy: -1.206 local terms energy: -54.762614 where: bonds (distance) C4'-P energy: -12.794 bonds (distance) P-C4' energy: -12.312 flat angles C4'-P-C4' energy: -10.145 flat angles P-C4'-P energy: -7.110 tors. eta vs tors. theta energy: -12.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -96.206115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.206115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.206115 (E_RNA) where: Base-Base interactions energy: -52.162 where: short stacking energy: -47.537 Base-Backbone interact. energy: -0.331 local terms energy: -43.713424 where: bonds (distance) C4'-P energy: -11.986 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -8.928 flat angles P-C4'-P energy: -3.396 tors. eta vs tors. theta energy: -5.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -90.859443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.859443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.859443 (E_RNA) where: Base-Base interactions energy: -41.522 where: short stacking energy: -41.522 Base-Backbone interact. energy: -0.001 local terms energy: -49.337009 where: bonds (distance) C4'-P energy: -13.419 bonds (distance) P-C4' energy: -8.638 flat angles C4'-P-C4' energy: -13.601 flat angles P-C4'-P energy: -6.268 tors. eta vs tors. theta energy: -7.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -85.478508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.478508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.478508 (E_RNA) where: Base-Base interactions energy: -43.521 where: short stacking energy: -42.344 Base-Backbone interact. energy: -0.092 local terms energy: -41.865375 where: bonds (distance) C4'-P energy: -11.830 bonds (distance) P-C4' energy: -10.839 flat angles C4'-P-C4' energy: -3.372 flat angles P-C4'-P energy: -7.993 tors. eta vs tors. theta energy: -7.831 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: 364 Temperature: 1.250000 Total energy: -84.875650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.875650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.875650 (E_RNA) where: Base-Base interactions energy: -38.427 where: short stacking energy: -35.550 Base-Backbone interact. energy: -0.236 local terms energy: -46.212881 where: bonds (distance) C4'-P energy: -12.794 bonds (distance) P-C4' energy: -14.443 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -9.178 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: 9, replica: 7 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -84.349962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.349962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.349962 (E_RNA) where: Base-Base interactions energy: -35.084 where: short stacking energy: -29.477 Base-Backbone interact. energy: -0.205 local terms energy: -49.060871 where: bonds (distance) C4'-P energy: -10.940 bonds (distance) P-C4' energy: -14.887 flat angles C4'-P-C4' energy: -14.842 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: -2.718 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: 8 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -71.371287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.371287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.371287 (E_RNA) where: Base-Base interactions energy: -31.006 where: short stacking energy: -31.006 Base-Backbone interact. energy: -0.021 local terms energy: -40.343425 where: bonds (distance) C4'-P energy: -11.072 bonds (distance) P-C4' energy: -9.559 flat angles C4'-P-C4' energy: -8.776 flat angles P-C4'-P energy: -8.715 tors. eta vs tors. theta energy: -2.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -163.923436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.923436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.923436 (E_RNA) where: Base-Base interactions energy: -107.625 where: short stacking energy: -60.179 Base-Backbone interact. energy: -0.084 local terms energy: -56.214626 where: bonds (distance) C4'-P energy: -12.488 bonds (distance) P-C4' energy: -10.219 flat angles C4'-P-C4' energy: -16.531 flat angles P-C4'-P energy: -6.156 tors. eta vs tors. theta energy: -10.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -152.167039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.167039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.167039 (E_RNA) where: Base-Base interactions energy: -88.233 where: short stacking energy: -52.349 Base-Backbone interact. energy: 0.293 local terms energy: -64.227711 where: bonds (distance) C4'-P energy: -13.543 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -15.748 flat angles P-C4'-P energy: -11.933 tors. eta vs tors. theta energy: -10.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -145.482485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.482485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.482485 (E_RNA) where: Base-Base interactions energy: -85.897 where: short stacking energy: -64.523 Base-Backbone interact. energy: -0.033 local terms energy: -59.551883 where: bonds (distance) C4'-P energy: -13.970 bonds (distance) P-C4' energy: -11.651 flat angles C4'-P-C4' energy: -12.058 flat angles P-C4'-P energy: -10.386 tors. eta vs tors. theta energy: -11.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -149.906314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.906314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.906314 (E_RNA) where: Base-Base interactions energy: -90.356 where: short stacking energy: -58.316 Base-Backbone interact. energy: -0.015 local terms energy: -59.535160 where: bonds (distance) C4'-P energy: -16.069 bonds (distance) P-C4' energy: -11.335 flat angles C4'-P-C4' energy: -13.007 flat angles P-C4'-P energy: -5.234 tors. eta vs tors. theta energy: -13.891 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: 6 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -131.872594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.872594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.872594 (E_RNA) where: Base-Base interactions energy: -81.705 where: short stacking energy: -50.123 Base-Backbone interact. energy: 1.194 local terms energy: -51.362450 where: bonds (distance) C4'-P energy: -10.981 bonds (distance) P-C4' energy: -13.287 flat angles C4'-P-C4' energy: -8.531 flat angles P-C4'-P energy: -7.563 tors. eta vs tors. theta energy: -11.000 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: 1 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -95.985434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.985434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.985434 (E_RNA) where: Base-Base interactions energy: -45.417 where: short stacking energy: -30.891 Base-Backbone interact. energy: 0.008 local terms energy: -50.576756 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -12.423 flat angles C4'-P-C4' energy: -12.411 flat angles P-C4'-P energy: -8.487 tors. eta vs tors. theta energy: -4.229 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: 9 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -79.929167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.929167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.929167 (E_RNA) where: Base-Base interactions energy: -40.216 where: short stacking energy: -40.216 Base-Backbone interact. energy: -0.026 local terms energy: -39.687232 where: bonds (distance) C4'-P energy: -10.814 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -8.450 flat angles P-C4'-P energy: -2.255 tors. eta vs tors. theta energy: -3.075 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: 365 Temperature: 1.250000 Total energy: -92.602056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.602056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.602056 (E_RNA) where: Base-Base interactions energy: -40.247 where: short stacking energy: -38.993 Base-Backbone interact. energy: 0.118 local terms energy: -52.472874 where: bonds (distance) C4'-P energy: -12.344 bonds (distance) P-C4' energy: -10.182 flat angles C4'-P-C4' energy: -13.453 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -9.210 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: 4 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -74.942379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.942379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.942379 (E_RNA) where: Base-Base interactions energy: -37.299 where: short stacking energy: -37.299 Base-Backbone interact. energy: -0.119 local terms energy: -37.524562 where: bonds (distance) C4'-P energy: -11.606 bonds (distance) P-C4' energy: -10.156 flat angles C4'-P-C4' energy: -9.837 flat angles P-C4'-P energy: -3.057 tors. eta vs tors. theta energy: -2.868 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: 8 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -83.747086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.747086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.747086 (E_RNA) where: Base-Base interactions energy: -33.906 where: short stacking energy: -33.906 Base-Backbone interact. energy: -0.111 local terms energy: -49.729806 where: bonds (distance) C4'-P energy: -10.711 bonds (distance) P-C4' energy: -13.516 flat angles C4'-P-C4' energy: -10.277 flat angles P-C4'-P energy: -6.181 tors. eta vs tors. theta energy: -9.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -160.851215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.851215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.851215 (E_RNA) where: Base-Base interactions energy: -103.286 where: short stacking energy: -60.572 Base-Backbone interact. energy: -1.021 local terms energy: -56.543967 where: bonds (distance) C4'-P energy: -11.847 bonds (distance) P-C4' energy: -10.587 flat angles C4'-P-C4' energy: -13.144 flat angles P-C4'-P energy: -7.336 tors. eta vs tors. theta energy: -13.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -160.248472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.248472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.248472 (E_RNA) where: Base-Base interactions energy: -93.634 where: short stacking energy: -60.766 Base-Backbone interact. energy: -0.697 local terms energy: -65.917178 where: bonds (distance) C4'-P energy: -14.600 bonds (distance) P-C4' energy: -14.059 flat angles C4'-P-C4' energy: -12.506 flat angles P-C4'-P energy: -8.259 tors. eta vs tors. theta energy: -16.493 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: 10 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -150.633830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.633830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.633830 (E_RNA) where: Base-Base interactions energy: -92.844 where: short stacking energy: -58.585 Base-Backbone interact. energy: -0.005 local terms energy: -57.784533 where: bonds (distance) C4'-P energy: -11.349 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -13.627 flat angles P-C4'-P energy: -6.526 tors. eta vs tors. theta energy: -11.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -138.298526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.298526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.298526 (E_RNA) where: Base-Base interactions energy: -81.187 where: short stacking energy: -51.720 Base-Backbone interact. energy: -0.091 local terms energy: -57.020160 where: bonds (distance) C4'-P energy: -13.668 bonds (distance) P-C4' energy: -13.319 flat angles C4'-P-C4' energy: -11.569 flat angles P-C4'-P energy: -8.588 tors. eta vs tors. theta energy: -9.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -114.995679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.995679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.995679 (E_RNA) where: Base-Base interactions energy: -55.265 where: short stacking energy: -55.265 Base-Backbone interact. energy: -0.001 local terms energy: -59.728897 where: bonds (distance) C4'-P energy: -8.782 bonds (distance) P-C4' energy: -11.852 flat angles C4'-P-C4' energy: -15.774 flat angles P-C4'-P energy: -10.276 tors. eta vs tors. theta energy: -13.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -118.550631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.550631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.550631 (E_RNA) where: Base-Base interactions energy: -62.766 where: short stacking energy: -37.052 Base-Backbone interact. energy: 0.343 local terms energy: -56.127195 where: bonds (distance) C4'-P energy: -12.985 bonds (distance) P-C4' energy: -13.443 flat angles C4'-P-C4' energy: -14.696 flat angles P-C4'-P energy: -7.634 tors. eta vs tors. theta energy: -7.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -103.243955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.243955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.243955 (E_RNA) where: Base-Base interactions energy: -52.060 where: short stacking energy: -42.633 Base-Backbone interact. energy: 0.662 local terms energy: -51.846029 where: bonds (distance) C4'-P energy: -11.573 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -13.937 flat angles P-C4'-P energy: -7.912 tors. eta vs tors. theta energy: -5.815 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: 9 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -93.485712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.485712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.485712 (E_RNA) where: Base-Base interactions energy: -44.380 where: short stacking energy: -40.731 Base-Backbone interact. energy: -0.266 local terms energy: -48.839030 where: bonds (distance) C4'-P energy: -11.394 bonds (distance) P-C4' energy: -9.309 flat angles C4'-P-C4' energy: -11.407 flat angles P-C4'-P energy: -7.470 tors. eta vs tors. theta energy: -9.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -82.972716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.972716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.972716 (E_RNA) where: Base-Base interactions energy: -32.252 where: short stacking energy: -32.252 Base-Backbone interact. energy: -0.250 local terms energy: -50.469951 where: bonds (distance) C4'-P energy: -14.412 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -9.910 flat angles P-C4'-P energy: -7.057 tors. eta vs tors. theta energy: -5.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -68.252982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.252982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.252982 (E_RNA) where: Base-Base interactions energy: -29.951 where: short stacking energy: -28.253 Base-Backbone interact. energy: -0.160 local terms energy: -38.142265 where: bonds (distance) C4'-P energy: -13.250 bonds (distance) P-C4' energy: -7.922 flat angles C4'-P-C4' energy: -11.256 flat angles P-C4'-P energy: -6.114 tors. eta vs tors. theta energy: 0.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -154.546590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.546590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.546590 (E_RNA) where: Base-Base interactions energy: -93.159 where: short stacking energy: -54.617 Base-Backbone interact. energy: -0.003 local terms energy: -61.384608 where: bonds (distance) C4'-P energy: -10.757 bonds (distance) P-C4' energy: -13.391 flat angles C4'-P-C4' energy: -12.640 flat angles P-C4'-P energy: -11.466 tors. eta vs tors. theta energy: -13.131 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: 5 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -159.015937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.015937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.015937 (E_RNA) where: Base-Base interactions energy: -98.106 where: short stacking energy: -63.683 Base-Backbone interact. energy: -0.000 local terms energy: -60.909218 where: bonds (distance) C4'-P energy: -11.317 bonds (distance) P-C4' energy: -11.505 flat angles C4'-P-C4' energy: -11.231 flat angles P-C4'-P energy: -9.919 tors. eta vs tors. theta energy: -16.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -150.264462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.264462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.264462 (E_RNA) where: Base-Base interactions energy: -87.899 where: short stacking energy: -54.757 Base-Backbone interact. energy: -1.150 local terms energy: -61.215882 where: bonds (distance) C4'-P energy: -14.627 bonds (distance) P-C4' energy: -13.929 flat angles C4'-P-C4' energy: -11.736 flat angles P-C4'-P energy: -7.164 tors. eta vs tors. theta energy: -13.759 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: 4, replica: 2 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -125.379884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.379884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.379884 (E_RNA) where: Base-Base interactions energy: -76.928 where: short stacking energy: -48.461 Base-Backbone interact. energy: -0.021 local terms energy: -48.430538 where: bonds (distance) C4'-P energy: -10.264 bonds (distance) P-C4' energy: -9.892 flat angles C4'-P-C4' energy: -13.683 flat angles P-C4'-P energy: -6.349 tors. eta vs tors. theta energy: -8.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -110.493378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.493378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.493378 (E_RNA) where: Base-Base interactions energy: -52.615 where: short stacking energy: -52.615 Base-Backbone interact. energy: -0.017 local terms energy: -57.861155 where: bonds (distance) C4'-P energy: -10.824 bonds (distance) P-C4' energy: -12.363 flat angles C4'-P-C4' energy: -13.512 flat angles P-C4'-P energy: -10.592 tors. eta vs tors. theta energy: -10.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -91.689088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.689088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.689088 (E_RNA) where: Base-Base interactions energy: -43.697 where: short stacking energy: -43.697 Base-Backbone interact. energy: -0.021 local terms energy: -47.971014 where: bonds (distance) C4'-P energy: -13.245 bonds (distance) P-C4' energy: -6.558 flat angles C4'-P-C4' energy: -12.715 flat angles P-C4'-P energy: -9.657 tors. eta vs tors. theta energy: -5.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -123.250245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.250245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.250245 (E_RNA) where: Base-Base interactions energy: -70.322 where: short stacking energy: -40.609 Base-Backbone interact. energy: -0.107 local terms energy: -52.821263 where: bonds (distance) C4'-P energy: -13.263 bonds (distance) P-C4' energy: -12.244 flat angles C4'-P-C4' energy: -10.411 flat angles P-C4'-P energy: -9.032 tors. eta vs tors. theta energy: -7.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -91.469231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.469231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.469231 (E_RNA) where: Base-Base interactions energy: -45.550 where: short stacking energy: -45.550 Base-Backbone interact. energy: -0.117 local terms energy: -45.801424 where: bonds (distance) C4'-P energy: -7.297 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -9.195 tors. eta vs tors. theta energy: -10.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -81.216030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.216030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.216030 (E_RNA) where: Base-Base interactions energy: -34.501 where: short stacking energy: -34.501 Base-Backbone interact. energy: 0.569 local terms energy: -47.284092 where: bonds (distance) C4'-P energy: -7.693 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -11.210 flat angles P-C4'-P energy: -6.231 tors. eta vs tors. theta energy: -6.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -75.629647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.629647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.629647 (E_RNA) where: Base-Base interactions energy: -34.722 where: short stacking energy: -31.910 Base-Backbone interact. energy: -0.003 local terms energy: -40.904660 where: bonds (distance) C4'-P energy: -9.060 bonds (distance) P-C4' energy: -11.874 flat angles C4'-P-C4' energy: -10.434 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -4.023 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: 1, replica: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -169.213866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.213866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.213866 (E_RNA) where: Base-Base interactions energy: -102.977 where: short stacking energy: -61.292 Base-Backbone interact. energy: -0.008 local terms energy: -66.228494 where: bonds (distance) C4'-P energy: -11.639 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -10.799 flat angles P-C4'-P energy: -12.881 tors. eta vs tors. theta energy: -17.331 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: 5 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -156.844201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.844201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.844201 (E_RNA) where: Base-Base interactions energy: -98.000 where: short stacking energy: -64.894 Base-Backbone interact. energy: -0.000 local terms energy: -58.844076 where: bonds (distance) C4'-P energy: -12.981 bonds (distance) P-C4' energy: -11.495 flat angles C4'-P-C4' energy: -10.788 flat angles P-C4'-P energy: -8.382 tors. eta vs tors. theta energy: -15.198 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: 2 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -142.776525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.776525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.776525 (E_RNA) where: Base-Base interactions energy: -88.639 where: short stacking energy: -53.856 Base-Backbone interact. energy: -0.045 local terms energy: -54.092705 where: bonds (distance) C4'-P energy: -10.400 bonds (distance) P-C4' energy: -12.602 flat angles C4'-P-C4' energy: -13.140 flat angles P-C4'-P energy: -10.133 tors. eta vs tors. theta energy: -7.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -155.902455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.902455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.902455 (E_RNA) where: Base-Base interactions energy: -89.787 where: short stacking energy: -63.138 Base-Backbone interact. energy: 0.446 local terms energy: -66.560880 where: bonds (distance) C4'-P energy: -13.358 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -12.971 flat angles P-C4'-P energy: -10.350 tors. eta vs tors. theta energy: -14.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -110.738277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.738277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.738277 (E_RNA) where: Base-Base interactions energy: -61.372 where: short stacking energy: -57.302 Base-Backbone interact. energy: -0.067 local terms energy: -49.298674 where: bonds (distance) C4'-P energy: -12.926 bonds (distance) P-C4' energy: -11.211 flat angles C4'-P-C4' energy: -13.098 flat angles P-C4'-P energy: -1.417 tors. eta vs tors. theta energy: -10.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -92.703528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.703528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.703528 (E_RNA) where: Base-Base interactions energy: -47.153 where: short stacking energy: -34.191 Base-Backbone interact. energy: -0.353 local terms energy: -45.198265 where: bonds (distance) C4'-P energy: -9.056 bonds (distance) P-C4' energy: -10.130 flat angles C4'-P-C4' energy: -13.832 flat angles P-C4'-P energy: -7.895 tors. eta vs tors. theta energy: -4.287 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: 8 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -82.981745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.981745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.981745 (E_RNA) where: Base-Base interactions energy: -40.556 where: short stacking energy: -35.522 Base-Backbone interact. energy: -0.146 local terms energy: -42.279939 where: bonds (distance) C4'-P energy: -9.493 bonds (distance) P-C4' energy: -14.271 flat angles C4'-P-C4' energy: -10.336 flat angles P-C4'-P energy: -6.874 tors. eta vs tors. theta energy: -1.306 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: 8, replica: 6 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -119.004766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.004766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.004766 (E_RNA) where: Base-Base interactions energy: -74.893 where: short stacking energy: -45.301 Base-Backbone interact. energy: -0.180 local terms energy: -43.932228 where: bonds (distance) C4'-P energy: -7.814 bonds (distance) P-C4' energy: -11.887 flat angles C4'-P-C4' energy: -12.761 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: -8.567 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: 4 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -91.160386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.160386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.160386 (E_RNA) where: Base-Base interactions energy: -45.225 where: short stacking energy: -32.768 Base-Backbone interact. energy: -0.164 local terms energy: -45.771040 where: bonds (distance) C4'-P energy: -13.038 bonds (distance) P-C4' energy: -9.341 flat angles C4'-P-C4' energy: -10.865 flat angles P-C4'-P energy: -7.394 tors. eta vs tors. theta energy: -5.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -78.220172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.220172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.220172 (E_RNA) where: Base-Base interactions energy: -27.573 where: short stacking energy: -27.529 Base-Backbone interact. energy: 0.771 local terms energy: -51.418713 where: bonds (distance) C4'-P energy: -15.252 bonds (distance) P-C4' energy: -13.457 flat angles C4'-P-C4' energy: -9.426 flat angles P-C4'-P energy: -9.271 tors. eta vs tors. theta energy: -4.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -149.271712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.271712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.271712 (E_RNA) where: Base-Base interactions energy: -85.573 where: short stacking energy: -54.363 Base-Backbone interact. energy: -0.038 local terms energy: -63.660695 where: bonds (distance) C4'-P energy: -15.125 bonds (distance) P-C4' energy: -11.153 flat angles C4'-P-C4' energy: -14.252 flat angles P-C4'-P energy: -10.392 tors. eta vs tors. theta energy: -12.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -137.690914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.690914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.690914 (E_RNA) where: Base-Base interactions energy: -79.294 where: short stacking energy: -54.493 Base-Backbone interact. energy: 0.748 local terms energy: -59.145055 where: bonds (distance) C4'-P energy: -14.715 bonds (distance) P-C4' energy: -12.671 flat angles C4'-P-C4' energy: -14.343 flat angles P-C4'-P energy: -8.729 tors. eta vs tors. theta energy: -8.687 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: 369 Temperature: 1.000000 Total energy: -150.247856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.247856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.247856 (E_RNA) where: Base-Base interactions energy: -93.860 where: short stacking energy: -54.578 Base-Backbone interact. energy: -0.212 local terms energy: -56.176103 where: bonds (distance) C4'-P energy: -13.664 bonds (distance) P-C4' energy: -10.241 flat angles C4'-P-C4' energy: -12.652 flat angles P-C4'-P energy: -6.335 tors. eta vs tors. theta energy: -13.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -143.742236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.742236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.742236 (E_RNA) where: Base-Base interactions energy: -87.728 where: short stacking energy: -60.953 Base-Backbone interact. energy: -0.004 local terms energy: -56.010075 where: bonds (distance) C4'-P energy: -12.496 bonds (distance) P-C4' energy: -12.247 flat angles C4'-P-C4' energy: -11.276 flat angles P-C4'-P energy: -7.555 tors. eta vs tors. theta energy: -12.436 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: 5, replica: 7 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -101.861169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.861169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.861169 (E_RNA) where: Base-Base interactions energy: -44.985 where: short stacking energy: -43.499 Base-Backbone interact. energy: -0.042 local terms energy: -56.834308 where: bonds (distance) C4'-P energy: -12.202 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -11.263 flat angles P-C4'-P energy: -9.386 tors. eta vs tors. theta energy: -10.089 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: 369 Temperature: 1.150000 Total energy: -96.278481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.278481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.278481 (E_RNA) where: Base-Base interactions energy: -47.412 where: short stacking energy: -40.802 Base-Backbone interact. energy: -0.014 local terms energy: -48.852376 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -13.519 flat angles C4'-P-C4' energy: -13.326 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -7.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -94.097500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.097500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.097500 (E_RNA) where: Base-Base interactions energy: -46.036 where: short stacking energy: -41.515 Base-Backbone interact. energy: -0.004 local terms energy: -48.056994 where: bonds (distance) C4'-P energy: -10.612 bonds (distance) P-C4' energy: -11.792 flat angles C4'-P-C4' energy: -14.555 flat angles P-C4'-P energy: -6.065 tors. eta vs tors. theta energy: -5.032 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: 6 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -108.631217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.631217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.631217 (E_RNA) where: Base-Base interactions energy: -55.507 where: short stacking energy: -41.448 Base-Backbone interact. energy: -0.036 local terms energy: -53.087872 where: bonds (distance) C4'-P energy: -9.628 bonds (distance) P-C4' energy: -12.951 flat angles C4'-P-C4' energy: -13.567 flat angles P-C4'-P energy: -8.733 tors. eta vs tors. theta energy: -8.210 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: 4 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -91.299565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.299565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.299565 (E_RNA) where: Base-Base interactions energy: -36.702 where: short stacking energy: -36.578 Base-Backbone interact. energy: -0.035 local terms energy: -54.562168 where: bonds (distance) C4'-P energy: -11.465 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -14.084 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -7.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -97.135744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.135744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.135744 (E_RNA) where: Base-Base interactions energy: -47.027 where: short stacking energy: -44.455 Base-Backbone interact. energy: -1.242 local terms energy: -48.867097 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -13.401 flat angles C4'-P-C4' energy: -10.781 flat angles P-C4'-P energy: -7.661 tors. eta vs tors. theta energy: -5.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -163.727521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.727521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.727521 (E_RNA) where: Base-Base interactions energy: -96.753 where: short stacking energy: -62.805 Base-Backbone interact. energy: 0.666 local terms energy: -67.640928 where: bonds (distance) C4'-P energy: -12.488 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -13.615 flat angles P-C4'-P energy: -11.586 tors. eta vs tors. theta energy: -16.286 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: 2, replica: 2 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -132.656258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.656258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.656258 (E_RNA) where: Base-Base interactions energy: -80.187 where: short stacking energy: -52.637 Base-Backbone interact. energy: -0.022 local terms energy: -52.447163 where: bonds (distance) C4'-P energy: -12.898 bonds (distance) P-C4' energy: -10.287 flat angles C4'-P-C4' energy: -13.798 flat angles P-C4'-P energy: -6.311 tors. eta vs tors. theta energy: -9.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -155.693412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.693412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.693412 (E_RNA) where: Base-Base interactions energy: -94.206 where: short stacking energy: -58.479 Base-Backbone interact. energy: -0.150 local terms energy: -61.337863 where: bonds (distance) C4'-P energy: -11.921 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -11.183 flat angles P-C4'-P energy: -7.380 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: 4, replica: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -157.495912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.495912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.495912 (E_RNA) where: Base-Base interactions energy: -99.742 where: short stacking energy: -62.599 Base-Backbone interact. energy: -0.000 local terms energy: -57.753842 where: bonds (distance) C4'-P energy: -10.505 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -13.405 flat angles P-C4'-P energy: -9.440 tors. eta vs tors. theta energy: -11.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -113.566908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.566908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.566908 (E_RNA) where: Base-Base interactions energy: -55.904 where: short stacking energy: -40.928 Base-Backbone interact. energy: 0.384 local terms energy: -58.046729 where: bonds (distance) C4'-P energy: -13.680 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -12.431 flat angles P-C4'-P energy: -8.904 tors. eta vs tors. theta energy: -7.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -86.464971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.464971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.464971 (E_RNA) where: Base-Base interactions energy: -39.831 where: short stacking energy: -36.233 Base-Backbone interact. energy: -0.031 local terms energy: -46.602553 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -9.461 flat angles P-C4'-P energy: -9.908 tors. eta vs tors. theta energy: -3.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -99.585191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.585191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.585191 (E_RNA) where: Base-Base interactions energy: -48.261 where: short stacking energy: -48.261 Base-Backbone interact. energy: -0.079 local terms energy: -51.245487 where: bonds (distance) C4'-P energy: -8.777 bonds (distance) P-C4' energy: -12.573 flat angles C4'-P-C4' energy: -13.855 flat angles P-C4'-P energy: -8.560 tors. eta vs tors. theta energy: -7.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -87.471527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.471527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.471527 (E_RNA) where: Base-Base interactions energy: -38.338 where: short stacking energy: -38.338 Base-Backbone interact. energy: 1.450 local terms energy: -50.583417 where: bonds (distance) C4'-P energy: -11.428 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -12.429 flat angles P-C4'-P energy: -5.392 tors. eta vs tors. theta energy: -7.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -79.988153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.988153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.988153 (E_RNA) where: Base-Base interactions energy: -40.191 where: short stacking energy: -28.880 Base-Backbone interact. energy: -0.041 local terms energy: -39.756032 where: bonds (distance) C4'-P energy: -12.964 bonds (distance) P-C4' energy: -12.578 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -3.209 tors. eta vs tors. theta energy: -4.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -72.455485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.455485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.455485 (E_RNA) where: Base-Base interactions energy: -32.151 where: short stacking energy: -29.731 Base-Backbone interact. energy: 0.153 local terms energy: -40.456694 where: bonds (distance) C4'-P energy: -9.767 bonds (distance) P-C4' energy: -6.723 flat angles C4'-P-C4' energy: -12.589 flat angles P-C4'-P energy: -8.366 tors. eta vs tors. theta energy: -3.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -152.481840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.481840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.481840 (E_RNA) where: Base-Base interactions energy: -99.314 where: short stacking energy: -65.606 Base-Backbone interact. energy: -0.014 local terms energy: -53.154560 where: bonds (distance) C4'-P energy: -8.464 bonds (distance) P-C4' energy: -12.272 flat angles C4'-P-C4' energy: -9.433 flat angles P-C4'-P energy: -6.853 tors. eta vs tors. theta energy: -16.132 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: 2, replica: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -153.102748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.102748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.102748 (E_RNA) where: Base-Base interactions energy: -95.808 where: short stacking energy: -60.197 Base-Backbone interact. energy: -0.434 local terms energy: -56.861352 where: bonds (distance) C4'-P energy: -12.823 bonds (distance) P-C4' energy: -12.187 flat angles C4'-P-C4' energy: -12.291 flat angles P-C4'-P energy: -9.669 tors. eta vs tors. theta energy: -9.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -139.192117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.192117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.192117 (E_RNA) where: Base-Base interactions energy: -81.583 where: short stacking energy: -50.150 Base-Backbone interact. energy: -0.061 local terms energy: -57.547939 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -10.768 flat angles C4'-P-C4' energy: -13.464 flat angles P-C4'-P energy: -10.667 tors. eta vs tors. theta energy: -9.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -140.868793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.868793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.868793 (E_RNA) where: Base-Base interactions energy: -79.760 where: short stacking energy: -46.065 Base-Backbone interact. energy: -0.203 local terms energy: -60.905293 where: bonds (distance) C4'-P energy: -13.075 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -14.383 flat angles P-C4'-P energy: -7.479 tors. eta vs tors. theta energy: -10.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -100.029029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.029029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.029029 (E_RNA) where: Base-Base interactions energy: -44.907 where: short stacking energy: -44.782 Base-Backbone interact. energy: -0.065 local terms energy: -55.056861 where: bonds (distance) C4'-P energy: -14.123 bonds (distance) P-C4' energy: -12.094 flat angles C4'-P-C4' energy: -11.866 flat angles P-C4'-P energy: -5.119 tors. eta vs tors. theta energy: -11.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -93.657042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.657042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.657042 (E_RNA) where: Base-Base interactions energy: -41.031 where: short stacking energy: -40.788 Base-Backbone interact. energy: -0.083 local terms energy: -52.542857 where: bonds (distance) C4'-P energy: -11.896 bonds (distance) P-C4' energy: -15.442 flat angles C4'-P-C4' energy: -12.247 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -7.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -97.785363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.785363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.785363 (E_RNA) where: Base-Base interactions energy: -52.042 where: short stacking energy: -25.512 Base-Backbone interact. energy: -0.436 local terms energy: -45.308189 where: bonds (distance) C4'-P energy: -14.182 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -12.824 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: 0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -77.744845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.744845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.744845 (E_RNA) where: Base-Base interactions energy: -31.525 where: short stacking energy: -31.525 Base-Backbone interact. energy: 1.162 local terms energy: -47.382111 where: bonds (distance) C4'-P energy: -14.044 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -10.922 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -5.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -90.926051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.926051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.926051 (E_RNA) where: Base-Base interactions energy: -40.438 where: short stacking energy: -40.155 Base-Backbone interact. energy: 0.235 local terms energy: -50.723520 where: bonds (distance) C4'-P energy: -11.741 bonds (distance) P-C4' energy: -11.949 flat angles C4'-P-C4' energy: -12.210 flat angles P-C4'-P energy: -7.086 tors. eta vs tors. theta energy: -7.737 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: 4 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -73.310964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.310964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.310964 (E_RNA) where: Base-Base interactions energy: -29.613 where: short stacking energy: -22.974 Base-Backbone interact. energy: -0.033 local terms energy: -43.665293 where: bonds (distance) C4'-P energy: -12.516 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -12.713 flat angles P-C4'-P energy: -1.649 tors. eta vs tors. theta energy: -2.814 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: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -152.988478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.988478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.988478 (E_RNA) where: Base-Base interactions energy: -92.917 where: short stacking energy: -60.050 Base-Backbone interact. energy: -0.092 local terms energy: -59.979121 where: bonds (distance) C4'-P energy: -10.132 bonds (distance) P-C4' energy: -14.220 flat angles C4'-P-C4' energy: -14.877 flat angles P-C4'-P energy: -6.522 tors. eta vs tors. theta energy: -14.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -145.512178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.512178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.512178 (E_RNA) where: Base-Base interactions energy: -89.597 where: short stacking energy: -54.312 Base-Backbone interact. energy: -0.391 local terms energy: -55.523892 where: bonds (distance) C4'-P energy: -14.246 bonds (distance) P-C4' energy: -14.221 flat angles C4'-P-C4' energy: -11.056 flat angles P-C4'-P energy: -5.373 tors. eta vs tors. theta energy: -10.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -149.046030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.046030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.046030 (E_RNA) where: Base-Base interactions energy: -92.043 where: short stacking energy: -61.539 Base-Backbone interact. energy: -0.075 local terms energy: -56.928322 where: bonds (distance) C4'-P energy: -6.522 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -12.959 flat angles P-C4'-P energy: -8.759 tors. eta vs tors. theta energy: -14.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -138.291215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.291215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.291215 (E_RNA) where: Base-Base interactions energy: -77.755 where: short stacking energy: -50.142 Base-Backbone interact. energy: -0.770 local terms energy: -59.765276 where: bonds (distance) C4'-P energy: -11.224 bonds (distance) P-C4' energy: -10.578 flat angles C4'-P-C4' energy: -13.178 flat angles P-C4'-P energy: -11.898 tors. eta vs tors. theta energy: -12.886 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: 6 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -97.731930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.731930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.731930 (E_RNA) where: Base-Base interactions energy: -44.327 where: short stacking energy: -44.327 Base-Backbone interact. energy: -0.189 local terms energy: -53.216098 where: bonds (distance) C4'-P energy: -13.296 bonds (distance) P-C4' energy: -15.213 flat angles C4'-P-C4' energy: -13.265 flat angles P-C4'-P energy: -7.627 tors. eta vs tors. theta energy: -3.815 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: 6, replica: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -102.287877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.287877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.287877 (E_RNA) where: Base-Base interactions energy: -53.339 where: short stacking energy: -43.786 Base-Backbone interact. energy: -0.002 local terms energy: -48.946476 where: bonds (distance) C4'-P energy: -8.661 bonds (distance) P-C4' energy: -13.129 flat angles C4'-P-C4' energy: -13.980 flat angles P-C4'-P energy: -9.602 tors. eta vs tors. theta energy: -3.574 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: 7, replica: 9 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -85.361676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.361676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.361676 (E_RNA) where: Base-Base interactions energy: -34.144 where: short stacking energy: -27.544 Base-Backbone interact. energy: -0.084 local terms energy: -51.133849 where: bonds (distance) C4'-P energy: -13.373 bonds (distance) P-C4' energy: -15.766 flat angles C4'-P-C4' energy: -7.838 flat angles P-C4'-P energy: -10.564 tors. eta vs tors. theta energy: -3.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -88.903724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.903724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.903724 (E_RNA) where: Base-Base interactions energy: -46.904 where: short stacking energy: -39.414 Base-Backbone interact. energy: -1.123 local terms energy: -40.876342 where: bonds (distance) C4'-P energy: -12.489 bonds (distance) P-C4' energy: -12.516 flat angles C4'-P-C4' energy: -9.221 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -3.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -83.203702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.203702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.203702 (E_RNA) where: Base-Base interactions energy: -36.826 where: short stacking energy: -36.826 Base-Backbone interact. energy: -0.153 local terms energy: -46.224510 where: bonds (distance) C4'-P energy: -9.145 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -13.736 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -4.669 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: 1 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -74.728532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.728532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.728532 (E_RNA) where: Base-Base interactions energy: -33.055 where: short stacking energy: -29.945 Base-Backbone interact. energy: -0.134 local terms energy: -41.539509 where: bonds (distance) C4'-P energy: -9.370 bonds (distance) P-C4' energy: -7.748 flat angles C4'-P-C4' energy: -13.472 flat angles P-C4'-P energy: -6.083 tors. eta vs tors. theta energy: -4.866 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: 373 Temperature: 0.900000 Total energy: -165.311867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.311867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.311867 (E_RNA) where: Base-Base interactions energy: -108.381 where: short stacking energy: -69.067 Base-Backbone interact. energy: -0.000 local terms energy: -56.930763 where: bonds (distance) C4'-P energy: -8.853 bonds (distance) P-C4' energy: -12.270 flat angles C4'-P-C4' energy: -12.775 flat angles P-C4'-P energy: -7.726 tors. eta vs tors. theta energy: -15.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -162.722604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.722604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.722604 (E_RNA) where: Base-Base interactions energy: -99.374 where: short stacking energy: -66.158 Base-Backbone interact. energy: -0.122 local terms energy: -63.225998 where: bonds (distance) C4'-P energy: -12.857 bonds (distance) P-C4' energy: -12.545 flat angles C4'-P-C4' energy: -12.827 flat angles P-C4'-P energy: -7.937 tors. eta vs tors. theta energy: -17.060 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: 3 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -137.152650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.152650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.152650 (E_RNA) where: Base-Base interactions energy: -83.032 where: short stacking energy: -51.862 Base-Backbone interact. energy: -0.117 local terms energy: -54.003523 where: bonds (distance) C4'-P energy: -13.871 bonds (distance) P-C4' energy: -9.068 flat angles C4'-P-C4' energy: -10.366 flat angles P-C4'-P energy: -7.937 tors. eta vs tors. theta energy: -12.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -142.124771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.124771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.124771 (E_RNA) where: Base-Base interactions energy: -82.012 where: short stacking energy: -51.842 Base-Backbone interact. energy: -0.052 local terms energy: -60.060722 where: bonds (distance) C4'-P energy: -11.792 bonds (distance) P-C4' energy: -16.268 flat angles C4'-P-C4' energy: -13.853 flat angles P-C4'-P energy: -7.521 tors. eta vs tors. theta energy: -10.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -103.757287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.757287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.757287 (E_RNA) where: Base-Base interactions energy: -46.880 where: short stacking energy: -46.880 Base-Backbone interact. energy: -0.068 local terms energy: -56.809504 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -11.999 flat angles C4'-P-C4' energy: -10.511 flat angles P-C4'-P energy: -5.707 tors. eta vs tors. theta energy: -15.068 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: 9 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -97.955009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.955009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.955009 (E_RNA) where: Base-Base interactions energy: -55.248 where: short stacking energy: -51.010 Base-Backbone interact. energy: -0.050 local terms energy: -42.656860 where: bonds (distance) C4'-P energy: -9.872 bonds (distance) P-C4' energy: -11.179 flat angles C4'-P-C4' energy: -10.078 flat angles P-C4'-P energy: -2.402 tors. eta vs tors. theta energy: -9.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -95.978158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.978158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.978158 (E_RNA) where: Base-Base interactions energy: -51.727 where: short stacking energy: -43.770 Base-Backbone interact. energy: -0.182 local terms energy: -44.069455 where: bonds (distance) C4'-P energy: -7.926 bonds (distance) P-C4' energy: -11.030 flat angles C4'-P-C4' energy: -14.833 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -5.406 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: 7 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -92.311071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.311071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.311071 (E_RNA) where: Base-Base interactions energy: -45.102 where: short stacking energy: -45.102 Base-Backbone interact. energy: -0.070 local terms energy: -47.138679 where: bonds (distance) C4'-P energy: -11.498 bonds (distance) P-C4' energy: -8.700 flat angles C4'-P-C4' energy: -11.797 flat angles P-C4'-P energy: -7.830 tors. eta vs tors. theta energy: -7.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -66.911309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.911309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.911309 (E_RNA) where: Base-Base interactions energy: -29.413 where: short stacking energy: -22.957 Base-Backbone interact. energy: -0.149 local terms energy: -37.349841 where: bonds (distance) C4'-P energy: -9.568 bonds (distance) P-C4' energy: -11.055 flat angles C4'-P-C4' energy: -7.950 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -3.381 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: 1 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -72.970053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.970053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.970053 (E_RNA) where: Base-Base interactions energy: -32.306 where: short stacking energy: -28.366 Base-Backbone interact. energy: -0.423 local terms energy: -40.241246 where: bonds (distance) C4'-P energy: -9.823 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -9.600 flat angles P-C4'-P energy: -6.632 tors. eta vs tors. theta energy: -1.108 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: 5 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -163.540008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.540008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.540008 (E_RNA) where: Base-Base interactions energy: -100.639 where: short stacking energy: -58.580 Base-Backbone interact. energy: -0.001 local terms energy: -62.900154 where: bonds (distance) C4'-P energy: -12.449 bonds (distance) P-C4' energy: -11.278 flat angles C4'-P-C4' energy: -13.725 flat angles P-C4'-P energy: -9.612 tors. eta vs tors. theta energy: -15.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -151.892199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.892199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.892199 (E_RNA) where: Base-Base interactions energy: -90.752 where: short stacking energy: -64.681 Base-Backbone interact. energy: 0.092 local terms energy: -61.231840 where: bonds (distance) C4'-P energy: -11.648 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -15.629 flat angles P-C4'-P energy: -9.209 tors. eta vs tors. theta energy: -10.576 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: 3, replica: 2 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -137.580685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.580685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.580685 (E_RNA) where: Base-Base interactions energy: -81.867 where: short stacking energy: -50.746 Base-Backbone interact. energy: -0.039 local terms energy: -55.675162 where: bonds (distance) C4'-P energy: -11.348 bonds (distance) P-C4' energy: -12.155 flat angles C4'-P-C4' energy: -12.815 flat angles P-C4'-P energy: -8.282 tors. eta vs tors. theta energy: -11.075 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: 3 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -134.631223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.631223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.631223 (E_RNA) where: Base-Base interactions energy: -74.604 where: short stacking energy: -49.407 Base-Backbone interact. energy: -0.074 local terms energy: -59.952794 where: bonds (distance) C4'-P energy: -13.999 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -12.356 flat angles P-C4'-P energy: -8.794 tors. eta vs tors. theta energy: -9.764 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: 9 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -97.362555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.362555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.362555 (E_RNA) where: Base-Base interactions energy: -46.241 where: short stacking energy: -46.241 Base-Backbone interact. energy: -0.034 local terms energy: -51.087637 where: bonds (distance) C4'-P energy: -12.012 bonds (distance) P-C4' energy: -11.105 flat angles C4'-P-C4' energy: -11.827 flat angles P-C4'-P energy: -6.950 tors. eta vs tors. theta energy: -9.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -93.710164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.710164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.710164 (E_RNA) where: Base-Base interactions energy: -37.461 where: short stacking energy: -37.461 Base-Backbone interact. energy: -0.311 local terms energy: -55.937751 where: bonds (distance) C4'-P energy: -12.368 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -12.535 flat angles P-C4'-P energy: -9.561 tors. eta vs tors. theta energy: -5.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -94.947780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.947780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.947780 (E_RNA) where: Base-Base interactions energy: -38.302 where: short stacking energy: -38.302 Base-Backbone interact. energy: -0.022 local terms energy: -56.624067 where: bonds (distance) C4'-P energy: -13.137 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -15.517 flat angles P-C4'-P energy: -8.469 tors. eta vs tors. theta energy: -5.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -89.065722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.065722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.065722 (E_RNA) where: Base-Base interactions energy: -38.870 where: short stacking energy: -38.870 Base-Backbone interact. energy: -0.345 local terms energy: -49.851221 where: bonds (distance) C4'-P energy: -8.989 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -9.906 flat angles P-C4'-P energy: -6.986 tors. eta vs tors. theta energy: -9.931 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: 1 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -76.815951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.815951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.815951 (E_RNA) where: Base-Base interactions energy: -26.251 where: short stacking energy: -25.216 Base-Backbone interact. energy: -1.668 local terms energy: -48.897683 where: bonds (distance) C4'-P energy: -14.401 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -11.741 flat angles P-C4'-P energy: -8.469 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -71.318241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.318241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.318241 (E_RNA) where: Base-Base interactions energy: -36.387 where: short stacking energy: -32.944 Base-Backbone interact. energy: -0.204 local terms energy: -34.727970 where: bonds (distance) C4'-P energy: -11.866 bonds (distance) P-C4' energy: -4.022 flat angles C4'-P-C4' energy: -9.752 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -5.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -159.764495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.764495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.764495 (E_RNA) where: Base-Base interactions energy: -93.444 where: short stacking energy: -66.108 Base-Backbone interact. energy: -0.109 local terms energy: -66.211682 where: bonds (distance) C4'-P energy: -10.687 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -14.358 flat angles P-C4'-P energy: -10.050 tors. eta vs tors. theta energy: -15.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -147.430819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.430819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.430819 (E_RNA) where: Base-Base interactions energy: -87.318 where: short stacking energy: -56.130 Base-Backbone interact. energy: -0.011 local terms energy: -60.101583 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -14.192 flat angles C4'-P-C4' energy: -11.162 flat angles P-C4'-P energy: -9.196 tors. eta vs tors. theta energy: -11.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -138.169724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.169724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.169724 (E_RNA) where: Base-Base interactions energy: -82.315 where: short stacking energy: -52.980 Base-Backbone interact. energy: -0.520 local terms energy: -55.334340 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -13.401 flat angles C4'-P-C4' energy: -10.149 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: -12.446 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: 3 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -136.441936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.441936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.441936 (E_RNA) where: Base-Base interactions energy: -75.338 where: short stacking energy: -48.523 Base-Backbone interact. energy: -0.551 local terms energy: -60.553104 where: bonds (distance) C4'-P energy: -11.023 bonds (distance) P-C4' energy: -15.513 flat angles C4'-P-C4' energy: -11.560 flat angles P-C4'-P energy: -11.207 tors. eta vs tors. theta energy: -11.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -98.299709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.299709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.299709 (E_RNA) where: Base-Base interactions energy: -55.060 where: short stacking energy: -37.529 Base-Backbone interact. energy: -0.243 local terms energy: -42.996860 where: bonds (distance) C4'-P energy: -11.564 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -9.047 flat angles P-C4'-P energy: -7.462 tors. eta vs tors. theta energy: -2.029 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: 7 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -103.201079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.201079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.201079 (E_RNA) where: Base-Base interactions energy: -51.900 where: short stacking energy: -40.569 Base-Backbone interact. energy: -0.244 local terms energy: -51.057554 where: bonds (distance) C4'-P energy: -8.704 bonds (distance) P-C4' energy: -12.548 flat angles C4'-P-C4' energy: -12.776 flat angles P-C4'-P energy: -7.492 tors. eta vs tors. theta energy: -9.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -82.270338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.270338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.270338 (E_RNA) where: Base-Base interactions energy: -36.059 where: short stacking energy: -36.059 Base-Backbone interact. energy: -0.047 local terms energy: -46.164013 where: bonds (distance) C4'-P energy: -13.767 bonds (distance) P-C4' energy: -11.409 flat angles C4'-P-C4' energy: -13.212 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -88.945020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.945020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.945020 (E_RNA) where: Base-Base interactions energy: -54.930 where: short stacking energy: -39.350 Base-Backbone interact. energy: -0.089 local terms energy: -33.926135 where: bonds (distance) C4'-P energy: -2.666 bonds (distance) P-C4' energy: -10.966 flat angles C4'-P-C4' energy: -11.843 flat angles P-C4'-P energy: -6.944 tors. eta vs tors. theta energy: -1.507 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: 8 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -77.955374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.955374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.955374 (E_RNA) where: Base-Base interactions energy: -31.630 where: short stacking energy: -27.870 Base-Backbone interact. energy: 0.398 local terms energy: -46.723719 where: bonds (distance) C4'-P energy: -8.580 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -10.157 flat angles P-C4'-P energy: -7.274 tors. eta vs tors. theta energy: -7.392 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: 4 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -66.832500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.832500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.832500 (E_RNA) where: Base-Base interactions energy: -24.871 where: short stacking energy: -23.893 Base-Backbone interact. energy: -0.277 local terms energy: -41.684404 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -11.758 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: 1.855 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: 2 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -147.391951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.391951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.391951 (E_RNA) where: Base-Base interactions energy: -91.880 where: short stacking energy: -59.064 Base-Backbone interact. energy: 0.293 local terms energy: -55.804397 where: bonds (distance) C4'-P energy: -11.085 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -11.501 flat angles P-C4'-P energy: -11.086 tors. eta vs tors. theta energy: -9.781 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: 5 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -145.451172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.451172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.451172 (E_RNA) where: Base-Base interactions energy: -86.235 where: short stacking energy: -54.087 Base-Backbone interact. energy: -0.049 local terms energy: -59.167745 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -14.228 flat angles C4'-P-C4' energy: -12.656 flat angles P-C4'-P energy: -7.464 tors. eta vs tors. theta energy: -10.993 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: 3, replica: 10 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -144.133733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.133733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.133733 (E_RNA) where: Base-Base interactions energy: -84.694 where: short stacking energy: -57.033 Base-Backbone interact. energy: -0.049 local terms energy: -59.390668 where: bonds (distance) C4'-P energy: -13.652 bonds (distance) P-C4' energy: -13.284 flat angles C4'-P-C4' energy: -13.032 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -14.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -128.560997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.560997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.560997 (E_RNA) where: Base-Base interactions energy: -76.509 where: short stacking energy: -45.296 Base-Backbone interact. energy: -0.385 local terms energy: -51.666614 where: bonds (distance) C4'-P energy: -11.124 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -11.022 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: -10.291 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: 7 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -102.815054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.815054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.815054 (E_RNA) where: Base-Base interactions energy: -45.928 where: short stacking energy: -44.754 Base-Backbone interact. energy: -0.027 local terms energy: -56.859952 where: bonds (distance) C4'-P energy: -13.406 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -10.167 flat angles P-C4'-P energy: -12.016 tors. eta vs tors. theta energy: -7.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -101.672844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.672844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.672844 (E_RNA) where: Base-Base interactions energy: -46.629 where: short stacking energy: -36.700 Base-Backbone interact. energy: -0.085 local terms energy: -54.958801 where: bonds (distance) C4'-P energy: -14.136 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -6.291 tors. eta vs tors. theta energy: -6.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -82.869114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.869114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.869114 (E_RNA) where: Base-Base interactions energy: -42.523 where: short stacking energy: -42.523 Base-Backbone interact. energy: -0.137 local terms energy: -40.208769 where: bonds (distance) C4'-P energy: -10.360 bonds (distance) P-C4' energy: -11.279 flat angles C4'-P-C4' energy: -10.013 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: -3.767 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: 376 Temperature: 1.250000 Total energy: -74.442864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.442864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.442864 (E_RNA) where: Base-Base interactions energy: -30.146 where: short stacking energy: -26.830 Base-Backbone interact. energy: -0.929 local terms energy: -43.367344 where: bonds (distance) C4'-P energy: -7.653 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -9.373 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: -3.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -63.990011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.990011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.990011 (E_RNA) where: Base-Base interactions energy: -28.264 where: short stacking energy: -24.650 Base-Backbone interact. energy: -0.062 local terms energy: -35.664796 where: bonds (distance) C4'-P energy: -10.633 bonds (distance) P-C4' energy: -14.847 flat angles C4'-P-C4' energy: -10.594 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: 4.531 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: 8 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -70.330260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.330260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.330260 (E_RNA) where: Base-Base interactions energy: -27.355 where: short stacking energy: -20.708 Base-Backbone interact. energy: -0.337 local terms energy: -42.638118 where: bonds (distance) C4'-P energy: -11.759 bonds (distance) P-C4' energy: -7.817 flat angles C4'-P-C4' energy: -13.199 flat angles P-C4'-P energy: -8.283 tors. eta vs tors. theta energy: -1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -161.181544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.181544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.181544 (E_RNA) where: Base-Base interactions energy: -99.080 where: short stacking energy: -65.434 Base-Backbone interact. energy: -0.005 local terms energy: -62.096219 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -14.326 flat angles C4'-P-C4' energy: -11.183 flat angles P-C4'-P energy: -8.467 tors. eta vs tors. theta energy: -14.502 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: 10 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -143.343721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.343721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.343721 (E_RNA) where: Base-Base interactions energy: -85.497 where: short stacking energy: -56.569 Base-Backbone interact. energy: -0.099 local terms energy: -57.747322 where: bonds (distance) C4'-P energy: -13.953 bonds (distance) P-C4' energy: -12.688 flat angles C4'-P-C4' energy: -11.243 flat angles P-C4'-P energy: -9.148 tors. eta vs tors. theta energy: -10.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -149.635246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.635246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.635246 (E_RNA) where: Base-Base interactions energy: -87.585 where: short stacking energy: -53.093 Base-Backbone interact. energy: -0.221 local terms energy: -61.828881 where: bonds (distance) C4'-P energy: -13.502 bonds (distance) P-C4' energy: -13.394 flat angles C4'-P-C4' energy: -13.634 flat angles P-C4'-P energy: -6.727 tors. eta vs tors. theta energy: -14.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -128.810194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.810194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.810194 (E_RNA) where: Base-Base interactions energy: -76.399 where: short stacking energy: -46.036 Base-Backbone interact. energy: -0.177 local terms energy: -52.234647 where: bonds (distance) C4'-P energy: -11.952 bonds (distance) P-C4' energy: -10.499 flat angles C4'-P-C4' energy: -11.428 flat angles P-C4'-P energy: -6.658 tors. eta vs tors. theta energy: -11.698 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: 7 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -99.611291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.611291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.611291 (E_RNA) where: Base-Base interactions energy: -49.108 where: short stacking energy: -28.545 Base-Backbone interact. energy: -0.145 local terms energy: -50.358274 where: bonds (distance) C4'-P energy: -13.866 bonds (distance) P-C4' energy: -13.249 flat angles C4'-P-C4' energy: -13.973 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -4.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -85.906453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.906453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.906453 (E_RNA) where: Base-Base interactions energy: -35.975 where: short stacking energy: -33.535 Base-Backbone interact. energy: -0.040 local terms energy: -49.890825 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -13.647 flat angles C4'-P-C4' energy: -14.492 flat angles P-C4'-P energy: -9.799 tors. eta vs tors. theta energy: -2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -97.277934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.277934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.277934 (E_RNA) where: Base-Base interactions energy: -53.204 where: short stacking energy: -52.709 Base-Backbone interact. energy: -0.113 local terms energy: -43.960829 where: bonds (distance) C4'-P energy: -5.864 bonds (distance) P-C4' energy: -9.880 flat angles C4'-P-C4' energy: -11.201 flat angles P-C4'-P energy: -7.718 tors. eta vs tors. theta energy: -9.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -88.446062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.446062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.446062 (E_RNA) where: Base-Base interactions energy: -35.199 where: short stacking energy: -33.124 Base-Backbone interact. energy: 0.278 local terms energy: -53.525158 where: bonds (distance) C4'-P energy: -14.735 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -12.265 flat angles P-C4'-P energy: -6.575 tors. eta vs tors. theta energy: -5.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -81.516841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.516841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.516841 (E_RNA) where: Base-Base interactions energy: -39.671 where: short stacking energy: -39.671 Base-Backbone interact. energy: -0.007 local terms energy: -41.838160 where: bonds (distance) C4'-P energy: -9.573 bonds (distance) P-C4' energy: -14.976 flat angles C4'-P-C4' energy: -9.045 flat angles P-C4'-P energy: -6.352 tors. eta vs tors. theta energy: -1.892 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: 8 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -71.366458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.366458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.366458 (E_RNA) where: Base-Base interactions energy: -37.748 where: short stacking energy: -32.709 Base-Backbone interact. energy: 0.716 local terms energy: -34.334936 where: bonds (distance) C4'-P energy: -9.188 bonds (distance) P-C4' energy: -8.657 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -9.881 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: 2 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -161.709501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.709501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.709501 (E_RNA) where: Base-Base interactions energy: -92.849 where: short stacking energy: -58.384 Base-Backbone interact. energy: -0.338 local terms energy: -68.521865 where: bonds (distance) C4'-P energy: -12.554 bonds (distance) P-C4' energy: -16.263 flat angles C4'-P-C4' energy: -14.349 flat angles P-C4'-P energy: -8.919 tors. eta vs tors. theta energy: -16.437 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: 10 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -152.299161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.299161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.299161 (E_RNA) where: Base-Base interactions energy: -94.277 where: short stacking energy: -55.782 Base-Backbone interact. energy: -0.473 local terms energy: -57.549315 where: bonds (distance) C4'-P energy: -9.893 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -11.932 flat angles P-C4'-P energy: -8.192 tors. eta vs tors. theta energy: -12.025 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: 3 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -137.000651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.000651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.000651 (E_RNA) where: Base-Base interactions energy: -76.159 where: short stacking energy: -39.795 Base-Backbone interact. energy: 0.278 local terms energy: -61.120320 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -16.711 flat angles C4'-P-C4' energy: -11.828 flat angles P-C4'-P energy: -10.158 tors. eta vs tors. theta energy: -9.575 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: 4, replica: 5 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -142.036813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.036813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.036813 (E_RNA) where: Base-Base interactions energy: -81.668 where: short stacking energy: -52.296 Base-Backbone interact. energy: -0.651 local terms energy: -59.718271 where: bonds (distance) C4'-P energy: -7.357 bonds (distance) P-C4' energy: -13.759 flat angles C4'-P-C4' energy: -12.779 flat angles P-C4'-P energy: -11.893 tors. eta vs tors. theta energy: -13.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -105.235089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.235089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.235089 (E_RNA) where: Base-Base interactions energy: -48.237 where: short stacking energy: -39.148 Base-Backbone interact. energy: -0.097 local terms energy: -56.900878 where: bonds (distance) C4'-P energy: -10.906 bonds (distance) P-C4' energy: -12.546 flat angles C4'-P-C4' energy: -12.782 flat angles P-C4'-P energy: -11.630 tors. eta vs tors. theta energy: -9.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -89.578104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.578104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.578104 (E_RNA) where: Base-Base interactions energy: -40.716 where: short stacking energy: -32.124 Base-Backbone interact. energy: 1.084 local terms energy: -49.945753 where: bonds (distance) C4'-P energy: -11.999 bonds (distance) P-C4' energy: -12.566 flat angles C4'-P-C4' energy: -9.442 flat angles P-C4'-P energy: -9.084 tors. eta vs tors. theta energy: -6.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -80.711112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.711112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.711112 (E_RNA) where: Base-Base interactions energy: -35.294 where: short stacking energy: -34.848 Base-Backbone interact. energy: -0.062 local terms energy: -45.355047 where: bonds (distance) C4'-P energy: -12.493 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -9.171 flat angles P-C4'-P energy: -6.884 tors. eta vs tors. theta energy: -2.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -90.656174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.656174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.656174 (E_RNA) where: Base-Base interactions energy: -40.634 where: short stacking energy: -40.634 Base-Backbone interact. energy: -0.023 local terms energy: -49.998500 where: bonds (distance) C4'-P energy: -14.130 bonds (distance) P-C4' energy: -12.535 flat angles C4'-P-C4' energy: -11.689 flat angles P-C4'-P energy: -5.302 tors. eta vs tors. theta energy: -6.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -76.823190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.823190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.823190 (E_RNA) where: Base-Base interactions energy: -29.493 where: short stacking energy: -23.343 Base-Backbone interact. energy: -0.164 local terms energy: -47.166227 where: bonds (distance) C4'-P energy: -12.789 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -10.807 flat angles P-C4'-P energy: -7.817 tors. eta vs tors. theta energy: -3.402 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: 8 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -81.166606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.166606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.166606 (E_RNA) where: Base-Base interactions energy: -42.992 where: short stacking energy: -26.153 Base-Backbone interact. energy: -0.154 local terms energy: -38.020061 where: bonds (distance) C4'-P energy: -6.996 bonds (distance) P-C4' energy: -11.175 flat angles C4'-P-C4' energy: -12.113 flat angles P-C4'-P energy: -7.152 tors. eta vs tors. theta energy: -0.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -167.319105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.319105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.319105 (E_RNA) where: Base-Base interactions energy: -99.060 where: short stacking energy: -64.646 Base-Backbone interact. energy: -0.362 local terms energy: -67.896594 where: bonds (distance) C4'-P energy: -13.250 bonds (distance) P-C4' energy: -13.256 flat angles C4'-P-C4' energy: -13.477 flat angles P-C4'-P energy: -10.614 tors. eta vs tors. theta energy: -17.299 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: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -154.557764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.557764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.557764 (E_RNA) where: Base-Base interactions energy: -94.298 where: short stacking energy: -62.662 Base-Backbone interact. energy: -0.325 local terms energy: -59.934333 where: bonds (distance) C4'-P energy: -13.933 bonds (distance) P-C4' energy: -12.621 flat angles C4'-P-C4' energy: -13.454 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -14.303 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: 10 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -163.644725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.644725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.644725 (E_RNA) where: Base-Base interactions energy: -104.081 where: short stacking energy: -61.457 Base-Backbone interact. energy: 0.096 local terms energy: -59.660221 where: bonds (distance) C4'-P energy: -13.337 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -13.154 flat angles P-C4'-P energy: -7.611 tors. eta vs tors. theta energy: -12.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -145.452055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.452055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.452055 (E_RNA) where: Base-Base interactions energy: -79.563 where: short stacking energy: -55.168 Base-Backbone interact. energy: -0.017 local terms energy: -65.871528 where: bonds (distance) C4'-P energy: -14.546 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -11.344 flat angles P-C4'-P energy: -8.956 tors. eta vs tors. theta energy: -15.510 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: 1 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -106.768725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.768725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.768725 (E_RNA) where: Base-Base interactions energy: -57.039 where: short stacking energy: -42.939 Base-Backbone interact. energy: -0.002 local terms energy: -49.728027 where: bonds (distance) C4'-P energy: -7.934 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -7.222 tors. eta vs tors. theta energy: -7.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -105.490238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.490238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.490238 (E_RNA) where: Base-Base interactions energy: -60.882 where: short stacking energy: -52.408 Base-Backbone interact. energy: -0.159 local terms energy: -44.449689 where: bonds (distance) C4'-P energy: -10.240 bonds (distance) P-C4' energy: -9.757 flat angles C4'-P-C4' energy: -7.175 flat angles P-C4'-P energy: -6.343 tors. eta vs tors. theta energy: -10.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -97.155171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.155171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.155171 (E_RNA) where: Base-Base interactions energy: -47.202 where: short stacking energy: -31.861 Base-Backbone interact. energy: -1.062 local terms energy: -48.891440 where: bonds (distance) C4'-P energy: -12.984 bonds (distance) P-C4' energy: -12.152 flat angles C4'-P-C4' energy: -11.586 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -6.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -84.109041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.109041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.109041 (E_RNA) where: Base-Base interactions energy: -36.708 where: short stacking energy: -36.708 Base-Backbone interact. energy: -0.208 local terms energy: -47.193245 where: bonds (distance) C4'-P energy: -9.027 bonds (distance) P-C4' energy: -13.422 flat angles C4'-P-C4' energy: -10.152 flat angles P-C4'-P energy: -7.441 tors. eta vs tors. theta energy: -7.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -77.335859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.335859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.335859 (E_RNA) where: Base-Base interactions energy: -43.068 where: short stacking energy: -38.874 Base-Backbone interact. energy: 1.601 local terms energy: -35.869436 where: bonds (distance) C4'-P energy: -9.978 bonds (distance) P-C4' energy: -6.548 flat angles C4'-P-C4' energy: -9.828 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -3.551 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: 8 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -82.234639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.234639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.234639 (E_RNA) where: Base-Base interactions energy: -33.147 where: short stacking energy: -33.147 Base-Backbone interact. energy: -0.018 local terms energy: -49.069721 where: bonds (distance) C4'-P energy: -9.758 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -11.214 flat angles P-C4'-P energy: -6.682 tors. eta vs tors. theta energy: -6.831 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: 2 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -157.944691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.944691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.944691 (E_RNA) where: Base-Base interactions energy: -98.695 where: short stacking energy: -68.576 Base-Backbone interact. energy: -0.054 local terms energy: -59.195861 where: bonds (distance) C4'-P energy: -7.057 bonds (distance) P-C4' energy: -12.588 flat angles C4'-P-C4' energy: -14.361 flat angles P-C4'-P energy: -10.393 tors. eta vs tors. theta energy: -14.797 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: 2, replica: 3 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -154.110756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.110756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.110756 (E_RNA) where: Base-Base interactions energy: -93.375 where: short stacking energy: -62.107 Base-Backbone interact. energy: -0.003 local terms energy: -60.732400 where: bonds (distance) C4'-P energy: -12.446 bonds (distance) P-C4' energy: -12.082 flat angles C4'-P-C4' energy: -14.896 flat angles P-C4'-P energy: -7.716 tors. eta vs tors. theta energy: -13.593 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: 5 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -158.650933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.650933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.650933 (E_RNA) where: Base-Base interactions energy: -93.173 where: short stacking energy: -61.668 Base-Backbone interact. energy: -0.011 local terms energy: -65.467024 where: bonds (distance) C4'-P energy: -13.667 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -13.665 flat angles P-C4'-P energy: -9.651 tors. eta vs tors. theta energy: -14.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -145.449512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.449512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.449512 (E_RNA) where: Base-Base interactions energy: -85.762 where: short stacking energy: -54.878 Base-Backbone interact. energy: -0.929 local terms energy: -58.758506 where: bonds (distance) C4'-P energy: -13.533 bonds (distance) P-C4' energy: -13.427 flat angles C4'-P-C4' energy: -14.458 flat angles P-C4'-P energy: -6.991 tors. eta vs tors. theta energy: -10.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -99.878813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.878813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.878813 (E_RNA) where: Base-Base interactions energy: -49.601 where: short stacking energy: -46.989 Base-Backbone interact. energy: -0.014 local terms energy: -50.263531 where: bonds (distance) C4'-P energy: -13.808 bonds (distance) P-C4' energy: -10.000 flat angles C4'-P-C4' energy: -11.675 flat angles P-C4'-P energy: -6.425 tors. eta vs tors. theta energy: -8.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -82.118193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.118193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.118193 (E_RNA) where: Base-Base interactions energy: -39.990 where: short stacking energy: -38.257 Base-Backbone interact. energy: 0.238 local terms energy: -42.365890 where: bonds (distance) C4'-P energy: -8.022 bonds (distance) P-C4' energy: -14.494 flat angles C4'-P-C4' energy: -10.468 flat angles P-C4'-P energy: -6.716 tors. eta vs tors. theta energy: -2.665 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: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -90.421323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.421323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.421323 (E_RNA) where: Base-Base interactions energy: -51.196 where: short stacking energy: -34.121 Base-Backbone interact. energy: -0.178 local terms energy: -39.047670 where: bonds (distance) C4'-P energy: -11.866 bonds (distance) P-C4' energy: -9.533 flat angles C4'-P-C4' energy: -8.848 flat angles P-C4'-P energy: -5.205 tors. eta vs tors. theta energy: -3.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -100.293203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.293203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.293203 (E_RNA) where: Base-Base interactions energy: -49.430 where: short stacking energy: -42.734 Base-Backbone interact. energy: -1.219 local terms energy: -49.643670 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -9.531 flat angles P-C4'-P energy: -10.345 tors. eta vs tors. theta energy: -10.142 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: 8 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -72.374268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.374268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.374268 (E_RNA) where: Base-Base interactions energy: -34.118 where: short stacking energy: -33.887 Base-Backbone interact. energy: -0.017 local terms energy: -38.239291 where: bonds (distance) C4'-P energy: -12.889 bonds (distance) P-C4' energy: -11.821 flat angles C4'-P-C4' energy: -10.786 flat angles P-C4'-P energy: -0.605 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -77.948505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.948505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.948505 (E_RNA) where: Base-Base interactions energy: -34.275 where: short stacking energy: -30.140 Base-Backbone interact. energy: -0.658 local terms energy: -43.014819 where: bonds (distance) C4'-P energy: -10.773 bonds (distance) P-C4' energy: -12.853 flat angles C4'-P-C4' energy: -11.156 flat angles P-C4'-P energy: -6.677 tors. eta vs tors. theta energy: -1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -151.385194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.385194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.385194 (E_RNA) where: Base-Base interactions energy: -90.940 where: short stacking energy: -54.092 Base-Backbone interact. energy: -0.039 local terms energy: -60.405747 where: bonds (distance) C4'-P energy: -10.348 bonds (distance) P-C4' energy: -15.408 flat angles C4'-P-C4' energy: -12.937 flat angles P-C4'-P energy: -10.504 tors. eta vs tors. theta energy: -11.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -155.853216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.853216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.853216 (E_RNA) where: Base-Base interactions energy: -91.722 where: short stacking energy: -54.148 Base-Backbone interact. energy: 1.416 local terms energy: -65.547421 where: bonds (distance) C4'-P energy: -11.930 bonds (distance) P-C4' energy: -14.833 flat angles C4'-P-C4' energy: -12.970 flat angles P-C4'-P energy: -11.266 tors. eta vs tors. theta energy: -14.549 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: 3 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -156.069545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.069545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.069545 (E_RNA) where: Base-Base interactions energy: -91.933 where: short stacking energy: -59.754 Base-Backbone interact. energy: -0.036 local terms energy: -64.101146 where: bonds (distance) C4'-P energy: -10.828 bonds (distance) P-C4' energy: -14.710 flat angles C4'-P-C4' energy: -14.434 flat angles P-C4'-P energy: -9.639 tors. eta vs tors. theta energy: -14.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -138.816788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.816788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.816788 (E_RNA) where: Base-Base interactions energy: -79.963 where: short stacking energy: -47.166 Base-Backbone interact. energy: -1.089 local terms energy: -57.764606 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -14.315 flat angles C4'-P-C4' energy: -11.501 flat angles P-C4'-P energy: -8.010 tors. eta vs tors. theta energy: -10.235 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: 4 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -113.791807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.791807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.791807 (E_RNA) where: Base-Base interactions energy: -53.444 where: short stacking energy: -53.444 Base-Backbone interact. energy: -0.001 local terms energy: -60.346692 where: bonds (distance) C4'-P energy: -13.688 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -12.155 flat angles P-C4'-P energy: -6.734 tors. eta vs tors. theta energy: -14.030 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: 6, replica: 6 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -112.874980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.874980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.874980 (E_RNA) where: Base-Base interactions energy: -59.580 where: short stacking energy: -23.949 Base-Backbone interact. energy: -0.673 local terms energy: -52.621884 where: bonds (distance) C4'-P energy: -13.577 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -13.444 flat angles P-C4'-P energy: -10.254 tors. eta vs tors. theta energy: -1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -80.985847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.985847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.985847 (E_RNA) where: Base-Base interactions energy: -33.975 where: short stacking energy: -33.507 Base-Backbone interact. energy: -0.090 local terms energy: -46.920649 where: bonds (distance) C4'-P energy: -10.111 bonds (distance) P-C4' energy: -13.297 flat angles C4'-P-C4' energy: -10.263 flat angles P-C4'-P energy: -7.095 tors. eta vs tors. theta energy: -6.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -91.088872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.088872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.088872 (E_RNA) where: Base-Base interactions energy: -50.590 where: short stacking energy: -45.749 Base-Backbone interact. energy: -0.094 local terms energy: -40.404802 where: bonds (distance) C4'-P energy: -7.532 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -9.281 flat angles P-C4'-P energy: -6.259 tors. eta vs tors. theta energy: -8.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -79.220224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.220224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.220224 (E_RNA) where: Base-Base interactions energy: -33.592 where: short stacking energy: -32.287 Base-Backbone interact. energy: -0.001 local terms energy: -45.626839 where: bonds (distance) C4'-P energy: -10.261 bonds (distance) P-C4' energy: -14.241 flat angles C4'-P-C4' energy: -10.842 flat angles P-C4'-P energy: -5.478 tors. eta vs tors. theta energy: -4.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -77.379300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.379300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.379300 (E_RNA) where: Base-Base interactions energy: -40.112 where: short stacking energy: -16.859 Base-Backbone interact. energy: 2.373 local terms energy: -39.640247 where: bonds (distance) C4'-P energy: -15.319 bonds (distance) P-C4' energy: -10.587 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -5.481 tors. eta vs tors. theta energy: -0.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -175.860762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.860762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.860762 (E_RNA) where: Base-Base interactions energy: -113.017 where: short stacking energy: -67.633 Base-Backbone interact. energy: -0.742 local terms energy: -62.100988 where: bonds (distance) C4'-P energy: -12.509 bonds (distance) P-C4' energy: -15.716 flat angles C4'-P-C4' energy: -14.499 flat angles P-C4'-P energy: -6.006 tors. eta vs tors. theta energy: -13.370 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: 2 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -141.483239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.483239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.483239 (E_RNA) where: Base-Base interactions energy: -85.982 where: short stacking energy: -56.159 Base-Backbone interact. energy: -0.058 local terms energy: -55.443155 where: bonds (distance) C4'-P energy: -9.424 bonds (distance) P-C4' energy: -14.639 flat angles C4'-P-C4' energy: -12.977 flat angles P-C4'-P energy: -5.915 tors. eta vs tors. theta energy: -12.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -149.741787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.741787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.741787 (E_RNA) where: Base-Base interactions energy: -93.920 where: short stacking energy: -64.056 Base-Backbone interact. energy: -0.077 local terms energy: -55.744527 where: bonds (distance) C4'-P energy: -11.921 bonds (distance) P-C4' energy: -10.352 flat angles C4'-P-C4' energy: -12.061 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: -16.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -144.266420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.266420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.266420 (E_RNA) where: Base-Base interactions energy: -86.249 where: short stacking energy: -53.026 Base-Backbone interact. energy: -0.836 local terms energy: -57.181901 where: bonds (distance) C4'-P energy: -14.628 bonds (distance) P-C4' energy: -11.763 flat angles C4'-P-C4' energy: -12.201 flat angles P-C4'-P energy: -6.266 tors. eta vs tors. theta energy: -12.324 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: 6 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -131.278126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.278126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.278126 (E_RNA) where: Base-Base interactions energy: -73.813 where: short stacking energy: -45.271 Base-Backbone interact. energy: -0.024 local terms energy: -57.441029 where: bonds (distance) C4'-P energy: -13.519 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -14.354 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -9.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -100.904580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.904580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.904580 (E_RNA) where: Base-Base interactions energy: -37.368 where: short stacking energy: -36.299 Base-Backbone interact. energy: 0.229 local terms energy: -63.766003 where: bonds (distance) C4'-P energy: -15.149 bonds (distance) P-C4' energy: -16.035 flat angles C4'-P-C4' energy: -14.626 flat angles P-C4'-P energy: -9.914 tors. eta vs tors. theta energy: -8.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -85.408665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.408665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.408665 (E_RNA) where: Base-Base interactions energy: -39.101 where: short stacking energy: -33.903 Base-Backbone interact. energy: 0.810 local terms energy: -47.117790 where: bonds (distance) C4'-P energy: -15.179 bonds (distance) P-C4' energy: -11.038 flat angles C4'-P-C4' energy: -9.013 flat angles P-C4'-P energy: -6.981 tors. eta vs tors. theta energy: -4.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -79.661936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.661936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.661936 (E_RNA) where: Base-Base interactions energy: -35.407 where: short stacking energy: -27.199 Base-Backbone interact. energy: -0.433 local terms energy: -43.822061 where: bonds (distance) C4'-P energy: -11.821 bonds (distance) P-C4' energy: -10.371 flat angles C4'-P-C4' energy: -11.326 flat angles P-C4'-P energy: -7.942 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -70.508362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.508362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.508362 (E_RNA) where: Base-Base interactions energy: -31.092 where: short stacking energy: -20.871 Base-Backbone interact. energy: -0.346 local terms energy: -39.070234 where: bonds (distance) C4'-P energy: -11.213 bonds (distance) P-C4' energy: -13.612 flat angles C4'-P-C4' energy: -10.608 flat angles P-C4'-P energy: -4.697 tors. eta vs tors. theta energy: 1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -71.682747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.682747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.682747 (E_RNA) where: Base-Base interactions energy: -27.821 where: short stacking energy: -27.821 Base-Backbone interact. energy: -0.012 local terms energy: -43.850014 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -8.888 flat angles P-C4'-P energy: -6.889 tors. eta vs tors. theta energy: -5.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -170.602949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.602949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.602949 (E_RNA) where: Base-Base interactions energy: -103.914 where: short stacking energy: -69.059 Base-Backbone interact. energy: -0.004 local terms energy: -66.684742 where: bonds (distance) C4'-P energy: -14.549 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -11.947 flat angles P-C4'-P energy: -10.608 tors. eta vs tors. theta energy: -16.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -155.595510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.595510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.595510 (E_RNA) where: Base-Base interactions energy: -99.587 where: short stacking energy: -64.091 Base-Backbone interact. energy: -0.000 local terms energy: -56.008082 where: bonds (distance) C4'-P energy: -11.785 bonds (distance) P-C4' energy: -13.170 flat angles C4'-P-C4' energy: -10.933 flat angles P-C4'-P energy: -7.480 tors. eta vs tors. theta energy: -12.640 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: 2 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -146.805124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.805124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.805124 (E_RNA) where: Base-Base interactions energy: -81.851 where: short stacking energy: -54.241 Base-Backbone interact. energy: -0.096 local terms energy: -64.857933 where: bonds (distance) C4'-P energy: -14.558 bonds (distance) P-C4' energy: -11.739 flat angles C4'-P-C4' energy: -13.218 flat angles P-C4'-P energy: -9.399 tors. eta vs tors. theta energy: -15.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -134.386611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.386611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.386611 (E_RNA) where: Base-Base interactions energy: -77.612 where: short stacking energy: -52.516 Base-Backbone interact. energy: -0.632 local terms energy: -56.142563 where: bonds (distance) C4'-P energy: -10.798 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -13.256 flat angles P-C4'-P energy: -8.194 tors. eta vs tors. theta energy: -10.312 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: 10 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -129.059100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.059100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.059100 (E_RNA) where: Base-Base interactions energy: -74.833 where: short stacking energy: -47.932 Base-Backbone interact. energy: -0.004 local terms energy: -54.222063 where: bonds (distance) C4'-P energy: -14.813 bonds (distance) P-C4' energy: -14.964 flat angles C4'-P-C4' energy: -10.564 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -8.829 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: 4 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -94.602213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.602213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.602213 (E_RNA) where: Base-Base interactions energy: -47.565 where: short stacking energy: -31.440 Base-Backbone interact. energy: -0.133 local terms energy: -46.903545 where: bonds (distance) C4'-P energy: -12.682 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -14.493 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -0.909 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: 8 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -90.463643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.463643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.463643 (E_RNA) where: Base-Base interactions energy: -36.023 where: short stacking energy: -36.023 Base-Backbone interact. energy: -0.093 local terms energy: -54.347931 where: bonds (distance) C4'-P energy: -11.259 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -11.493 flat angles P-C4'-P energy: -9.446 tors. eta vs tors. theta energy: -8.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -91.206402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.206402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.206402 (E_RNA) where: Base-Base interactions energy: -39.249 where: short stacking energy: -39.249 Base-Backbone interact. energy: -0.012 local terms energy: -51.944891 where: bonds (distance) C4'-P energy: -14.769 bonds (distance) P-C4' energy: -12.420 flat angles C4'-P-C4' energy: -10.233 flat angles P-C4'-P energy: -8.287 tors. eta vs tors. theta energy: -6.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -78.031121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.031121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.031121 (E_RNA) where: Base-Base interactions energy: -35.660 where: short stacking energy: -35.660 Base-Backbone interact. energy: 0.152 local terms energy: -42.523084 where: bonds (distance) C4'-P energy: -11.064 bonds (distance) P-C4' energy: -10.968 flat angles C4'-P-C4' energy: -11.820 flat angles P-C4'-P energy: -0.751 tors. eta vs tors. theta energy: -7.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -71.559149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.559149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.559149 (E_RNA) where: Base-Base interactions energy: -31.706 where: short stacking energy: -31.358 Base-Backbone interact. energy: -0.182 local terms energy: -39.671048 where: bonds (distance) C4'-P energy: -9.718 bonds (distance) P-C4' energy: -12.494 flat angles C4'-P-C4' energy: -10.501 flat angles P-C4'-P energy: -6.639 tors. eta vs tors. theta energy: -0.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -166.297270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.297270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.297270 (E_RNA) where: Base-Base interactions energy: -97.982 where: short stacking energy: -63.017 Base-Backbone interact. energy: -0.014 local terms energy: -68.301204 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -14.995 flat angles C4'-P-C4' energy: -15.144 flat angles P-C4'-P energy: -8.952 tors. eta vs tors. theta energy: -16.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -163.682548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.682548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.682548 (E_RNA) where: Base-Base interactions energy: -100.470 where: short stacking energy: -64.703 Base-Backbone interact. energy: -0.014 local terms energy: -63.199160 where: bonds (distance) C4'-P energy: -10.695 bonds (distance) P-C4' energy: -7.843 flat angles C4'-P-C4' energy: -15.786 flat angles P-C4'-P energy: -12.405 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: 3, replica: 2 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -135.190720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.190720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.190720 (E_RNA) where: Base-Base interactions energy: -78.802 where: short stacking energy: -54.126 Base-Backbone interact. energy: -0.014 local terms energy: -56.375042 where: bonds (distance) C4'-P energy: -10.662 bonds (distance) P-C4' energy: -13.501 flat angles C4'-P-C4' energy: -14.396 flat angles P-C4'-P energy: -6.476 tors. eta vs tors. theta energy: -11.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -138.818420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.818420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.818420 (E_RNA) where: Base-Base interactions energy: -80.031 where: short stacking energy: -46.997 Base-Backbone interact. energy: -1.333 local terms energy: -57.454510 where: bonds (distance) C4'-P energy: -11.014 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -12.914 flat angles P-C4'-P energy: -7.269 tors. eta vs tors. theta energy: -11.658 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: 10 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -152.876171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.876171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.876171 (E_RNA) where: Base-Base interactions energy: -95.448 where: short stacking energy: -58.404 Base-Backbone interact. energy: 0.445 local terms energy: -57.872692 where: bonds (distance) C4'-P energy: -9.900 bonds (distance) P-C4' energy: -12.290 flat angles C4'-P-C4' energy: -13.474 flat angles P-C4'-P energy: -8.213 tors. eta vs tors. theta energy: -13.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -118.767400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.767400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.767400 (E_RNA) where: Base-Base interactions energy: -74.244 where: short stacking energy: -43.471 Base-Backbone interact. energy: 1.497 local terms energy: -46.019616 where: bonds (distance) C4'-P energy: -10.276 bonds (distance) P-C4' energy: -11.652 flat angles C4'-P-C4' energy: -10.176 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -9.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -82.774933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.774933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.774933 (E_RNA) where: Base-Base interactions energy: -31.374 where: short stacking energy: -27.229 Base-Backbone interact. energy: -0.056 local terms energy: -51.344475 where: bonds (distance) C4'-P energy: -13.099 bonds (distance) P-C4' energy: -11.538 flat angles C4'-P-C4' energy: -11.548 flat angles P-C4'-P energy: -8.801 tors. eta vs tors. theta energy: -6.358 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: 8, replica: 8 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -95.524030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.524030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.524030 (E_RNA) where: Base-Base interactions energy: -38.201 where: short stacking energy: -38.201 Base-Backbone interact. energy: -0.055 local terms energy: -57.268357 where: bonds (distance) C4'-P energy: -11.450 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -15.296 flat angles P-C4'-P energy: -6.123 tors. eta vs tors. theta energy: -10.163 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: 9, replica: 7 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -85.282852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.282852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.282852 (E_RNA) where: Base-Base interactions energy: -38.419 where: short stacking energy: -38.419 Base-Backbone interact. energy: -0.104 local terms energy: -46.759828 where: bonds (distance) C4'-P energy: -9.197 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -10.297 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: -6.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -82.261060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.261060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.261060 (E_RNA) where: Base-Base interactions energy: -35.910 where: short stacking energy: -33.342 Base-Backbone interact. energy: -0.189 local terms energy: -46.161616 where: bonds (distance) C4'-P energy: -10.363 bonds (distance) P-C4' energy: -10.591 flat angles C4'-P-C4' energy: -11.403 flat angles P-C4'-P energy: -6.930 tors. eta vs tors. theta energy: -6.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -169.982583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.982583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.982583 (E_RNA) where: Base-Base interactions energy: -107.747 where: short stacking energy: -66.718 Base-Backbone interact. energy: -0.001 local terms energy: -62.234833 where: bonds (distance) C4'-P energy: -12.169 bonds (distance) P-C4' energy: -11.749 flat angles C4'-P-C4' energy: -14.153 flat angles P-C4'-P energy: -7.789 tors. eta vs tors. theta energy: -16.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -151.854926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.854926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.854926 (E_RNA) where: Base-Base interactions energy: -92.112 where: short stacking energy: -59.234 Base-Backbone interact. energy: -0.341 local terms energy: -59.402567 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -15.924 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -9.882 tors. eta vs tors. theta energy: -11.471 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: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -165.008148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.008148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.008148 (E_RNA) where: Base-Base interactions energy: -101.161 where: short stacking energy: -62.185 Base-Backbone interact. energy: -0.004 local terms energy: -63.843843 where: bonds (distance) C4'-P energy: -11.876 bonds (distance) P-C4' energy: -14.047 flat angles C4'-P-C4' energy: -12.830 flat angles P-C4'-P energy: -10.532 tors. eta vs tors. theta energy: -14.560 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: 10 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -141.196875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.196875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.196875 (E_RNA) where: Base-Base interactions energy: -84.257 where: short stacking energy: -53.570 Base-Backbone interact. energy: 0.906 local terms energy: -57.845977 where: bonds (distance) C4'-P energy: -12.389 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -12.163 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -13.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -133.062386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.062386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.062386 (E_RNA) where: Base-Base interactions energy: -77.793 where: short stacking energy: -50.377 Base-Backbone interact. energy: -0.395 local terms energy: -54.874208 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -15.420 flat angles C4'-P-C4' energy: -13.746 flat angles P-C4'-P energy: -3.967 tors. eta vs tors. theta energy: -9.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -134.569011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.569011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.569011 (E_RNA) where: Base-Base interactions energy: -81.103 where: short stacking energy: -54.142 Base-Backbone interact. energy: -0.087 local terms energy: -53.378070 where: bonds (distance) C4'-P energy: -13.410 bonds (distance) P-C4' energy: -11.521 flat angles C4'-P-C4' energy: -12.150 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -12.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -81.076043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.076043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.076043 (E_RNA) where: Base-Base interactions energy: -30.830 where: short stacking energy: -28.795 Base-Backbone interact. energy: -0.140 local terms energy: -50.105334 where: bonds (distance) C4'-P energy: -12.255 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -15.006 flat angles P-C4'-P energy: -4.802 tors. eta vs tors. theta energy: -3.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -76.727456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.727456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.727456 (E_RNA) where: Base-Base interactions energy: -37.828 where: short stacking energy: -31.739 Base-Backbone interact. energy: 0.317 local terms energy: -39.216728 where: bonds (distance) C4'-P energy: -8.741 bonds (distance) P-C4' energy: -11.658 flat angles C4'-P-C4' energy: -13.052 flat angles P-C4'-P energy: -6.139 tors. eta vs tors. theta energy: 0.373 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: 8 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -75.894748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.894748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.894748 (E_RNA) where: Base-Base interactions energy: -29.147 where: short stacking energy: -29.147 Base-Backbone interact. energy: -0.030 local terms energy: -46.717826 where: bonds (distance) C4'-P energy: -9.974 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -10.907 flat angles P-C4'-P energy: -10.319 tors. eta vs tors. theta energy: 0.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -88.603795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.603795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.603795 (E_RNA) where: Base-Base interactions energy: -43.671 where: short stacking energy: -41.410 Base-Backbone interact. energy: -0.095 local terms energy: -44.838269 where: bonds (distance) C4'-P energy: -11.175 bonds (distance) P-C4' energy: -11.825 flat angles C4'-P-C4' energy: -12.637 flat angles P-C4'-P energy: -5.169 tors. eta vs tors. theta energy: -4.032 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: 5 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -159.107005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.107005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.107005 (E_RNA) where: Base-Base interactions energy: -93.669 where: short stacking energy: -52.779 Base-Backbone interact. energy: -0.033 local terms energy: -65.405487 where: bonds (distance) C4'-P energy: -13.998 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -14.824 flat angles P-C4'-P energy: -8.939 tors. eta vs tors. theta energy: -12.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -152.052561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.052561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.052561 (E_RNA) where: Base-Base interactions energy: -91.428 where: short stacking energy: -60.091 Base-Backbone interact. energy: -0.108 local terms energy: -60.516265 where: bonds (distance) C4'-P energy: -13.013 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -13.016 flat angles P-C4'-P energy: -7.353 tors. eta vs tors. theta energy: -11.639 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: 3, replica: 3 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -141.879203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.879203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.879203 (E_RNA) where: Base-Base interactions energy: -83.005 where: short stacking energy: -45.726 Base-Backbone interact. energy: 0.225 local terms energy: -59.098934 where: bonds (distance) C4'-P energy: -12.351 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -15.064 flat angles P-C4'-P energy: -8.320 tors. eta vs tors. theta energy: -10.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -139.986805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.986805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.986805 (E_RNA) where: Base-Base interactions energy: -82.604 where: short stacking energy: -54.596 Base-Backbone interact. energy: -0.017 local terms energy: -57.366585 where: bonds (distance) C4'-P energy: -9.261 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -9.979 flat angles P-C4'-P energy: -11.306 tors. eta vs tors. theta energy: -13.040 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: 4 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -123.675470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.675470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.675470 (E_RNA) where: Base-Base interactions energy: -73.623 where: short stacking energy: -43.528 Base-Backbone interact. energy: -0.784 local terms energy: -49.268438 where: bonds (distance) C4'-P energy: -11.486 bonds (distance) P-C4' energy: -12.022 flat angles C4'-P-C4' energy: -9.719 flat angles P-C4'-P energy: -9.705 tors. eta vs tors. theta energy: -6.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -119.295726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.295726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.295726 (E_RNA) where: Base-Base interactions energy: -66.641 where: short stacking energy: -35.194 Base-Backbone interact. energy: -0.047 local terms energy: -52.608114 where: bonds (distance) C4'-P energy: -12.848 bonds (distance) P-C4' energy: -9.973 flat angles C4'-P-C4' energy: -10.738 flat angles P-C4'-P energy: -8.176 tors. eta vs tors. theta energy: -10.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -110.215542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.215542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.215542 (E_RNA) where: Base-Base interactions energy: -53.272 where: short stacking energy: -50.917 Base-Backbone interact. energy: -0.005 local terms energy: -56.938685 where: bonds (distance) C4'-P energy: -11.602 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -13.621 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -11.642 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: 9 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -78.439154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.439154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.439154 (E_RNA) where: Base-Base interactions energy: -31.008 where: short stacking energy: -23.799 Base-Backbone interact. energy: -0.122 local terms energy: -47.309232 where: bonds (distance) C4'-P energy: -14.044 bonds (distance) P-C4' energy: -14.924 flat angles C4'-P-C4' energy: -12.718 flat angles P-C4'-P energy: -6.192 tors. eta vs tors. theta energy: 0.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -72.551593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.551593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.551593 (E_RNA) where: Base-Base interactions energy: -33.397 where: short stacking energy: -33.397 Base-Backbone interact. energy: -0.021 local terms energy: -39.133476 where: bonds (distance) C4'-P energy: -10.336 bonds (distance) P-C4' energy: -7.862 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -11.716 tors. eta vs tors. theta energy: -2.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -64.322758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.322758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.322758 (E_RNA) where: Base-Base interactions energy: -23.938 where: short stacking energy: -23.176 Base-Backbone interact. energy: 0.705 local terms energy: -41.089196 where: bonds (distance) C4'-P energy: -14.078 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -2.361 tors. eta vs tors. theta energy: -3.408 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: 5 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -164.054444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.054444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.054444 (E_RNA) where: Base-Base interactions energy: -99.797 where: short stacking energy: -62.813 Base-Backbone interact. energy: -0.103 local terms energy: -64.153696 where: bonds (distance) C4'-P energy: -13.978 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -13.547 flat angles P-C4'-P energy: -9.276 tors. eta vs tors. theta energy: -17.529 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: 387 Temperature: 0.950000 Total energy: -162.959195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.959195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.959195 (E_RNA) where: Base-Base interactions energy: -101.603 where: short stacking energy: -57.921 Base-Backbone interact. energy: -0.235 local terms energy: -61.121176 where: bonds (distance) C4'-P energy: -11.975 bonds (distance) P-C4' energy: -14.019 flat angles C4'-P-C4' energy: -13.940 flat angles P-C4'-P energy: -7.485 tors. eta vs tors. theta energy: -13.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -134.046511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.046511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.046511 (E_RNA) where: Base-Base interactions energy: -76.012 where: short stacking energy: -48.637 Base-Backbone interact. energy: -0.100 local terms energy: -57.934980 where: bonds (distance) C4'-P energy: -13.279 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -14.024 flat angles P-C4'-P energy: -10.837 tors. eta vs tors. theta energy: -5.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -139.885181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.885181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.885181 (E_RNA) where: Base-Base interactions energy: -87.294 where: short stacking energy: -57.944 Base-Backbone interact. energy: -0.033 local terms energy: -52.558666 where: bonds (distance) C4'-P energy: -10.800 bonds (distance) P-C4' energy: -11.330 flat angles C4'-P-C4' energy: -9.539 flat angles P-C4'-P energy: -6.413 tors. eta vs tors. theta energy: -14.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -130.828533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.828533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.828533 (E_RNA) where: Base-Base interactions energy: -84.578 where: short stacking energy: -51.146 Base-Backbone interact. energy: -0.025 local terms energy: -46.225339 where: bonds (distance) C4'-P energy: -10.249 bonds (distance) P-C4' energy: -11.606 flat angles C4'-P-C4' energy: -7.771 flat angles P-C4'-P energy: -9.068 tors. eta vs tors. theta energy: -7.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -138.512248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.512248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.512248 (E_RNA) where: Base-Base interactions energy: -74.391 where: short stacking energy: -50.275 Base-Backbone interact. energy: -0.576 local terms energy: -63.545480 where: bonds (distance) C4'-P energy: -14.931 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -14.140 flat angles P-C4'-P energy: -9.108 tors. eta vs tors. theta energy: -9.615 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: 7, replica: 7 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -86.983039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.983039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.983039 (E_RNA) where: Base-Base interactions energy: -41.200 where: short stacking energy: -40.922 Base-Backbone interact. energy: -0.039 local terms energy: -45.744132 where: bonds (distance) C4'-P energy: -8.645 bonds (distance) P-C4' energy: -15.062 flat angles C4'-P-C4' energy: -8.900 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -8.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -106.491579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.491579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.491579 (E_RNA) where: Base-Base interactions energy: -52.770 where: short stacking energy: -52.770 Base-Backbone interact. energy: 0.602 local terms energy: -54.324201 where: bonds (distance) C4'-P energy: -10.656 bonds (distance) P-C4' energy: -12.327 flat angles C4'-P-C4' energy: -12.690 flat angles P-C4'-P energy: -8.377 tors. eta vs tors. theta energy: -10.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -77.362782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.362782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.362782 (E_RNA) where: Base-Base interactions energy: -28.666 where: short stacking energy: -28.166 Base-Backbone interact. energy: -0.206 local terms energy: -48.490971 where: bonds (distance) C4'-P energy: -13.813 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -13.004 flat angles P-C4'-P energy: -6.349 tors. eta vs tors. theta energy: -1.789 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: 8 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -73.053027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.053027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.053027 (E_RNA) where: Base-Base interactions energy: -32.942 where: short stacking energy: -32.958 Base-Backbone interact. energy: -0.150 local terms energy: -39.960789 where: bonds (distance) C4'-P energy: -8.332 bonds (distance) P-C4' energy: -11.505 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -7.308 tors. eta vs tors. theta energy: -4.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -155.363684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.363684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.363684 (E_RNA) where: Base-Base interactions energy: -97.706 where: short stacking energy: -59.003 Base-Backbone interact. energy: 2.019 local terms energy: -59.676250 where: bonds (distance) C4'-P energy: -9.293 bonds (distance) P-C4' energy: -13.020 flat angles C4'-P-C4' energy: -12.506 flat angles P-C4'-P energy: -12.404 tors. eta vs tors. theta energy: -12.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -167.931920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.931920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.931920 (E_RNA) where: Base-Base interactions energy: -103.052 where: short stacking energy: -65.331 Base-Backbone interact. energy: 0.448 local terms energy: -65.328344 where: bonds (distance) C4'-P energy: -13.766 bonds (distance) P-C4' energy: -14.308 flat angles C4'-P-C4' energy: -13.082 flat angles P-C4'-P energy: -9.097 tors. eta vs tors. theta energy: -15.076 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: 2 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -148.303570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.303570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.303570 (E_RNA) where: Base-Base interactions energy: -85.339 where: short stacking energy: -53.737 Base-Backbone interact. energy: -0.105 local terms energy: -62.858991 where: bonds (distance) C4'-P energy: -12.343 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -13.529 flat angles P-C4'-P energy: -8.831 tors. eta vs tors. theta energy: -12.170 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: 4, replica: 4 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -135.485263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.485263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.485263 (E_RNA) where: Base-Base interactions energy: -76.111 where: short stacking energy: -51.903 Base-Backbone interact. energy: -0.003 local terms energy: -59.371219 where: bonds (distance) C4'-P energy: -14.132 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -10.312 flat angles P-C4'-P energy: -9.839 tors. eta vs tors. theta energy: -11.479 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: 6 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -153.108272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.108272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.108272 (E_RNA) where: Base-Base interactions energy: -89.534 where: short stacking energy: -57.559 Base-Backbone interact. energy: -0.450 local terms energy: -63.123533 where: bonds (distance) C4'-P energy: -14.690 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -13.792 flat angles P-C4'-P energy: -6.703 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: 6, replica: 10 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -127.803268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.803268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.803268 (E_RNA) where: Base-Base interactions energy: -71.265 where: short stacking energy: -46.164 Base-Backbone interact. energy: -0.413 local terms energy: -56.125042 where: bonds (distance) C4'-P energy: -8.837 bonds (distance) P-C4' energy: -13.269 flat angles C4'-P-C4' energy: -13.972 flat angles P-C4'-P energy: -12.236 tors. eta vs tors. theta energy: -7.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -83.763063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.763063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.763063 (E_RNA) where: Base-Base interactions energy: -34.714 where: short stacking energy: -31.956 Base-Backbone interact. energy: -0.234 local terms energy: -48.815236 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -14.032 flat angles C4'-P-C4' energy: -9.524 flat angles P-C4'-P energy: -7.536 tors. eta vs tors. theta energy: -4.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -77.551428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.551428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.551428 (E_RNA) where: Base-Base interactions energy: -31.139 where: short stacking energy: -30.594 Base-Backbone interact. energy: -0.277 local terms energy: -46.135334 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -12.499 flat angles C4'-P-C4' energy: -10.659 flat angles P-C4'-P energy: -7.114 tors. eta vs tors. theta energy: -7.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -70.343306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.343306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.343306 (E_RNA) where: Base-Base interactions energy: -21.835 where: short stacking energy: -20.920 Base-Backbone interact. energy: -0.546 local terms energy: -47.962280 where: bonds (distance) C4'-P energy: -6.349 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -14.131 flat angles P-C4'-P energy: -11.415 tors. eta vs tors. theta energy: -1.471 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: 10, replica: 9 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -84.600250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.600250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.600250 (E_RNA) where: Base-Base interactions energy: -36.456 where: short stacking energy: -37.016 Base-Backbone interact. energy: -0.178 local terms energy: -47.965964 where: bonds (distance) C4'-P energy: -11.814 bonds (distance) P-C4' energy: -9.175 flat angles C4'-P-C4' energy: -12.472 flat angles P-C4'-P energy: -7.560 tors. eta vs tors. theta energy: -6.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -157.704752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.704752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.704752 (E_RNA) where: Base-Base interactions energy: -97.826 where: short stacking energy: -65.100 Base-Backbone interact. energy: -0.070 local terms energy: -59.808426 where: bonds (distance) C4'-P energy: -10.020 bonds (distance) P-C4' energy: -12.997 flat angles C4'-P-C4' energy: -12.446 flat angles P-C4'-P energy: -8.811 tors. eta vs tors. theta energy: -15.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -154.612118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.612118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.612118 (E_RNA) where: Base-Base interactions energy: -92.587 where: short stacking energy: -58.318 Base-Backbone interact. energy: 0.491 local terms energy: -62.515825 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -12.797 flat angles C4'-P-C4' energy: -12.097 flat angles P-C4'-P energy: -9.748 tors. eta vs tors. theta energy: -15.151 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: 5 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -162.549111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.549111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.549111 (E_RNA) where: Base-Base interactions energy: -103.481 where: short stacking energy: -64.904 Base-Backbone interact. energy: -0.003 local terms energy: -59.064706 where: bonds (distance) C4'-P energy: -10.617 bonds (distance) P-C4' energy: -12.383 flat angles C4'-P-C4' energy: -9.117 flat angles P-C4'-P energy: -9.093 tors. eta vs tors. theta energy: -17.853 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: 4 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -136.014034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.014034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.014034 (E_RNA) where: Base-Base interactions energy: -82.136 where: short stacking energy: -53.151 Base-Backbone interact. energy: -0.303 local terms energy: -53.575083 where: bonds (distance) C4'-P energy: -11.138 bonds (distance) P-C4' energy: -15.016 flat angles C4'-P-C4' energy: -13.173 flat angles P-C4'-P energy: -7.009 tors. eta vs tors. theta energy: -7.239 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: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -133.693822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.693822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.693822 (E_RNA) where: Base-Base interactions energy: -78.033 where: short stacking energy: -46.727 Base-Backbone interact. energy: -0.003 local terms energy: -55.657451 where: bonds (distance) C4'-P energy: -12.128 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -11.405 flat angles P-C4'-P energy: -10.637 tors. eta vs tors. theta energy: -6.630 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: 6, replica: 10 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -131.959795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.959795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.959795 (E_RNA) where: Base-Base interactions energy: -79.264 where: short stacking energy: -52.865 Base-Backbone interact. energy: -0.186 local terms energy: -52.508874 where: bonds (distance) C4'-P energy: -10.468 bonds (distance) P-C4' energy: -9.995 flat angles C4'-P-C4' energy: -13.152 flat angles P-C4'-P energy: -7.695 tors. eta vs tors. theta energy: -11.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -84.432061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.432061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.432061 (E_RNA) where: Base-Base interactions energy: -38.248 where: short stacking energy: -38.248 Base-Backbone interact. energy: -0.363 local terms energy: -45.820633 where: bonds (distance) C4'-P energy: -12.222 bonds (distance) P-C4' energy: -11.759 flat angles C4'-P-C4' energy: -14.106 flat angles P-C4'-P energy: -1.274 tors. eta vs tors. theta energy: -6.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -78.955589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.955589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.955589 (E_RNA) where: Base-Base interactions energy: -45.044 where: short stacking energy: -31.803 Base-Backbone interact. energy: -0.101 local terms energy: -33.810432 where: bonds (distance) C4'-P energy: -10.579 bonds (distance) P-C4' energy: -11.682 flat angles C4'-P-C4' energy: -3.562 flat angles P-C4'-P energy: -5.588 tors. eta vs tors. theta energy: -2.400 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: 8 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -93.767262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.767262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.767262 (E_RNA) where: Base-Base interactions energy: -53.140 where: short stacking energy: -27.312 Base-Backbone interact. energy: 0.857 local terms energy: -41.484155 where: bonds (distance) C4'-P energy: -9.904 bonds (distance) P-C4' energy: -11.437 flat angles C4'-P-C4' energy: -9.115 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -6.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -75.028269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.028269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.028269 (E_RNA) where: Base-Base interactions energy: -31.842 where: short stacking energy: -29.515 Base-Backbone interact. energy: -0.769 local terms energy: -42.417756 where: bonds (distance) C4'-P energy: -10.881 bonds (distance) P-C4' energy: -11.387 flat angles C4'-P-C4' energy: -9.243 flat angles P-C4'-P energy: -9.413 tors. eta vs tors. theta energy: -1.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -152.344280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.344280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.344280 (E_RNA) where: Base-Base interactions energy: -90.154 where: short stacking energy: -58.393 Base-Backbone interact. energy: -0.008 local terms energy: -62.182572 where: bonds (distance) C4'-P energy: -14.893 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -10.607 flat angles P-C4'-P energy: -8.334 tors. eta vs tors. theta energy: -16.208 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: 2, replica: 3 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -141.192594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.192594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.192594 (E_RNA) where: Base-Base interactions energy: -85.691 where: short stacking energy: -54.505 Base-Backbone interact. energy: -0.016 local terms energy: -55.486335 where: bonds (distance) C4'-P energy: -15.411 bonds (distance) P-C4' energy: -10.206 flat angles C4'-P-C4' energy: -12.278 flat angles P-C4'-P energy: -6.153 tors. eta vs tors. theta energy: -11.439 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: 390 Temperature: 1.000000 Total energy: -147.389487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.389487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.389487 (E_RNA) where: Base-Base interactions energy: -87.248 where: short stacking energy: -63.554 Base-Backbone interact. energy: -0.002 local terms energy: -60.139474 where: bonds (distance) C4'-P energy: -9.927 bonds (distance) P-C4' energy: -12.925 flat angles C4'-P-C4' energy: -10.315 flat angles P-C4'-P energy: -11.538 tors. eta vs tors. theta energy: -15.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -134.536407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.536407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.536407 (E_RNA) where: Base-Base interactions energy: -79.873 where: short stacking energy: -45.599 Base-Backbone interact. energy: 0.391 local terms energy: -55.054007 where: bonds (distance) C4'-P energy: -13.241 bonds (distance) P-C4' energy: -10.392 flat angles C4'-P-C4' energy: -12.340 flat angles P-C4'-P energy: -7.519 tors. eta vs tors. theta energy: -11.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -136.405983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.405983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.405983 (E_RNA) where: Base-Base interactions energy: -81.192 where: short stacking energy: -42.415 Base-Backbone interact. energy: -0.353 local terms energy: -54.861111 where: bonds (distance) C4'-P energy: -12.657 bonds (distance) P-C4' energy: -12.011 flat angles C4'-P-C4' energy: -13.769 flat angles P-C4'-P energy: -10.303 tors. eta vs tors. theta energy: -6.121 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: 6 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -123.316350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.316350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.316350 (E_RNA) where: Base-Base interactions energy: -69.288 where: short stacking energy: -42.598 Base-Backbone interact. energy: -0.007 local terms energy: -54.021337 where: bonds (distance) C4'-P energy: -11.097 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -13.231 flat angles P-C4'-P energy: -7.622 tors. eta vs tors. theta energy: -9.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -87.578266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.578266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.578266 (E_RNA) where: Base-Base interactions energy: -38.252 where: short stacking energy: -38.252 Base-Backbone interact. energy: -0.179 local terms energy: -49.148111 where: bonds (distance) C4'-P energy: -9.349 bonds (distance) P-C4' energy: -10.811 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -9.339 tors. eta vs tors. theta energy: -6.151 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: 7 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -80.699102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.699102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.699102 (E_RNA) where: Base-Base interactions energy: -31.772 where: short stacking energy: -24.279 Base-Backbone interact. energy: -0.127 local terms energy: -48.800304 where: bonds (distance) C4'-P energy: -9.627 bonds (distance) P-C4' energy: -15.506 flat angles C4'-P-C4' energy: -12.142 flat angles P-C4'-P energy: -7.074 tors. eta vs tors. theta energy: -4.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -79.675803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.675803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.675803 (E_RNA) where: Base-Base interactions energy: -32.385 where: short stacking energy: -28.887 Base-Backbone interact. energy: -0.047 local terms energy: -47.243984 where: bonds (distance) C4'-P energy: -14.306 bonds (distance) P-C4' energy: -11.214 flat angles C4'-P-C4' energy: -12.124 flat angles P-C4'-P energy: -5.834 tors. eta vs tors. theta energy: -3.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -78.975911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.975911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.975911 (E_RNA) where: Base-Base interactions energy: -40.987 where: short stacking energy: -27.942 Base-Backbone interact. energy: -0.212 local terms energy: -37.776254 where: bonds (distance) C4'-P energy: -7.997 bonds (distance) P-C4' energy: -8.123 flat angles C4'-P-C4' energy: -12.530 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -5.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -159.751645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.751645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.751645 (E_RNA) where: Base-Base interactions energy: -93.858 where: short stacking energy: -60.544 Base-Backbone interact. energy: -0.000 local terms energy: -65.893903 where: bonds (distance) C4'-P energy: -13.668 bonds (distance) P-C4' energy: -14.315 flat angles C4'-P-C4' energy: -14.290 flat angles P-C4'-P energy: -9.243 tors. eta vs tors. theta energy: -14.378 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: 3 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -136.140576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.140576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.140576 (E_RNA) where: Base-Base interactions energy: -78.571 where: short stacking energy: -49.665 Base-Backbone interact. energy: -0.131 local terms energy: -57.438452 where: bonds (distance) C4'-P energy: -12.658 bonds (distance) P-C4' energy: -15.252 flat angles C4'-P-C4' energy: -12.215 flat angles P-C4'-P energy: -9.141 tors. eta vs tors. theta energy: -8.173 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: 5 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -155.843205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.843205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.843205 (E_RNA) where: Base-Base interactions energy: -91.868 where: short stacking energy: -61.286 Base-Backbone interact. energy: -0.126 local terms energy: -63.849341 where: bonds (distance) C4'-P energy: -12.806 bonds (distance) P-C4' energy: -13.526 flat angles C4'-P-C4' energy: -12.449 flat angles P-C4'-P energy: -9.468 tors. eta vs tors. theta energy: -15.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -135.794784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.794784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.794784 (E_RNA) where: Base-Base interactions energy: -75.091 where: short stacking energy: -45.244 Base-Backbone interact. energy: -0.156 local terms energy: -60.547964 where: bonds (distance) C4'-P energy: -12.504 bonds (distance) P-C4' energy: -14.053 flat angles C4'-P-C4' energy: -12.596 flat angles P-C4'-P energy: -10.344 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: 5, replica: 10 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -127.013840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.013840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.013840 (E_RNA) where: Base-Base interactions energy: -69.403 where: short stacking energy: -38.280 Base-Backbone interact. energy: 0.554 local terms energy: -58.165021 where: bonds (distance) C4'-P energy: -13.172 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -13.397 flat angles P-C4'-P energy: -9.289 tors. eta vs tors. theta energy: -7.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -107.034978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.034978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.034978 (E_RNA) where: Base-Base interactions energy: -57.574 where: short stacking energy: -35.245 Base-Backbone interact. energy: -0.086 local terms energy: -49.375259 where: bonds (distance) C4'-P energy: -14.031 bonds (distance) P-C4' energy: -6.804 flat angles C4'-P-C4' energy: -13.707 flat angles P-C4'-P energy: -7.262 tors. eta vs tors. theta energy: -7.571 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: 6 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -93.059099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.059099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.059099 (E_RNA) where: Base-Base interactions energy: -40.727 where: short stacking energy: -40.727 Base-Backbone interact. energy: -0.007 local terms energy: -52.324919 where: bonds (distance) C4'-P energy: -11.164 bonds (distance) P-C4' energy: -13.040 flat angles C4'-P-C4' energy: -11.078 flat angles P-C4'-P energy: -9.032 tors. eta vs tors. theta energy: -8.011 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: 391 Temperature: 1.250000 Total energy: -102.631931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.631931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.631931 (E_RNA) where: Base-Base interactions energy: -41.059 where: short stacking energy: -40.930 Base-Backbone interact. energy: -0.399 local terms energy: -61.173892 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -16.271 flat angles C4'-P-C4' energy: -14.288 flat angles P-C4'-P energy: -10.492 tors. eta vs tors. theta energy: -7.700 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: 7 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -79.019604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.019604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.019604 (E_RNA) where: Base-Base interactions energy: -37.070 where: short stacking energy: -37.070 Base-Backbone interact. energy: -0.025 local terms energy: -41.924317 where: bonds (distance) C4'-P energy: -7.188 bonds (distance) P-C4' energy: -12.680 flat angles C4'-P-C4' energy: -11.833 flat angles P-C4'-P energy: -2.426 tors. eta vs tors. theta energy: -7.798 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: 8 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -72.938513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.938513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.938513 (E_RNA) where: Base-Base interactions energy: -29.205 where: short stacking energy: -28.816 Base-Backbone interact. energy: -0.018 local terms energy: -43.715416 where: bonds (distance) C4'-P energy: -9.683 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -9.279 flat angles P-C4'-P energy: -10.350 tors. eta vs tors. theta energy: -1.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -172.817059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.817059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.817059 (E_RNA) where: Base-Base interactions energy: -105.737 where: short stacking energy: -65.026 Base-Backbone interact. energy: -0.011 local terms energy: -67.069024 where: bonds (distance) C4'-P energy: -13.560 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -13.321 flat angles P-C4'-P energy: -9.584 tors. eta vs tors. theta energy: -15.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -145.672311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.672311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.672311 (E_RNA) where: Base-Base interactions energy: -85.378 where: short stacking energy: -53.745 Base-Backbone interact. energy: 0.462 local terms energy: -60.756106 where: bonds (distance) C4'-P energy: -10.028 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -11.849 flat angles P-C4'-P energy: -10.075 tors. eta vs tors. theta energy: -14.337 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: 5 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -146.323565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.323565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.323565 (E_RNA) where: Base-Base interactions energy: -92.893 where: short stacking energy: -61.216 Base-Backbone interact. energy: -0.381 local terms energy: -53.050153 where: bonds (distance) C4'-P energy: -13.594 bonds (distance) P-C4' energy: -6.028 flat angles C4'-P-C4' energy: -14.719 flat angles P-C4'-P energy: -6.425 tors. eta vs tors. theta energy: -12.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -128.235421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.235421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.235421 (E_RNA) where: Base-Base interactions energy: -71.313 where: short stacking energy: -45.248 Base-Backbone interact. energy: -0.073 local terms energy: -56.848985 where: bonds (distance) C4'-P energy: -14.822 bonds (distance) P-C4' energy: -15.559 flat angles C4'-P-C4' energy: -12.641 flat angles P-C4'-P energy: -9.981 tors. eta vs tors. theta energy: -3.846 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: 392 Temperature: 1.100000 Total energy: -109.067405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.067405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.067405 (E_RNA) where: Base-Base interactions energy: -58.392 where: short stacking energy: -37.474 Base-Backbone interact. energy: -0.127 local terms energy: -50.547958 where: bonds (distance) C4'-P energy: -12.011 bonds (distance) P-C4' energy: -16.218 flat angles C4'-P-C4' energy: -9.995 flat angles P-C4'-P energy: -8.396 tors. eta vs tors. theta energy: -3.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -142.103914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.103914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.103914 (E_RNA) where: Base-Base interactions energy: -85.217 where: short stacking energy: -50.741 Base-Backbone interact. energy: -0.026 local terms energy: -56.861385 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -13.486 flat angles C4'-P-C4' energy: -8.787 flat angles P-C4'-P energy: -10.706 tors. eta vs tors. theta energy: -11.117 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: 7, replica: 9 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -110.729494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.729494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.729494 (E_RNA) where: Base-Base interactions energy: -55.375 where: short stacking energy: -53.957 Base-Backbone interact. energy: -0.391 local terms energy: -54.963515 where: bonds (distance) C4'-P energy: -11.191 bonds (distance) P-C4' energy: -12.253 flat angles C4'-P-C4' energy: -12.620 flat angles P-C4'-P energy: -10.498 tors. eta vs tors. theta energy: -8.402 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: 6 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -84.652329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.652329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.652329 (E_RNA) where: Base-Base interactions energy: -32.349 where: short stacking energy: -31.951 Base-Backbone interact. energy: -0.141 local terms energy: -52.162214 where: bonds (distance) C4'-P energy: -14.501 bonds (distance) P-C4' energy: -12.912 flat angles C4'-P-C4' energy: -14.288 flat angles P-C4'-P energy: -9.413 tors. eta vs tors. theta energy: -1.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -76.340883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.340883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.340883 (E_RNA) where: Base-Base interactions energy: -36.165 where: short stacking energy: -35.474 Base-Backbone interact. energy: -0.377 local terms energy: -39.798624 where: bonds (distance) C4'-P energy: -9.089 bonds (distance) P-C4' energy: -10.450 flat angles C4'-P-C4' energy: -10.583 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -3.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -77.252857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.252857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.252857 (E_RNA) where: Base-Base interactions energy: -33.678 where: short stacking energy: -32.194 Base-Backbone interact. energy: -0.009 local terms energy: -43.566200 where: bonds (distance) C4'-P energy: -8.039 bonds (distance) P-C4' energy: -11.438 flat angles C4'-P-C4' energy: -11.639 flat angles P-C4'-P energy: -7.714 tors. eta vs tors. theta energy: -4.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -166.075362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.075362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.075362 (E_RNA) where: Base-Base interactions energy: -98.741 where: short stacking energy: -67.532 Base-Backbone interact. energy: -0.005 local terms energy: -67.330050 where: bonds (distance) C4'-P energy: -11.404 bonds (distance) P-C4' energy: -13.148 flat angles C4'-P-C4' energy: -14.844 flat angles P-C4'-P energy: -10.700 tors. eta vs tors. theta energy: -17.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -135.293538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.293538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.293538 (E_RNA) where: Base-Base interactions energy: -82.556 where: short stacking energy: -50.858 Base-Backbone interact. energy: -0.270 local terms energy: -52.467062 where: bonds (distance) C4'-P energy: -10.857 bonds (distance) P-C4' energy: -14.146 flat angles C4'-P-C4' energy: -13.265 flat angles P-C4'-P energy: -6.251 tors. eta vs tors. theta energy: -7.948 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: 3, replica: 5 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -145.946448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.946448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.946448 (E_RNA) where: Base-Base interactions energy: -88.040 where: short stacking energy: -57.087 Base-Backbone interact. energy: -0.001 local terms energy: -57.905668 where: bonds (distance) C4'-P energy: -11.172 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -11.127 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -14.149 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: 4 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -139.297697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.297697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.297697 (E_RNA) where: Base-Base interactions energy: -83.288 where: short stacking energy: -46.186 Base-Backbone interact. energy: -0.009 local terms energy: -56.001215 where: bonds (distance) C4'-P energy: -13.283 bonds (distance) P-C4' energy: -10.867 flat angles C4'-P-C4' energy: -12.381 flat angles P-C4'-P energy: -8.643 tors. eta vs tors. theta energy: -10.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -112.804329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.804329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.804329 (E_RNA) where: Base-Base interactions energy: -55.138 where: short stacking energy: -42.359 Base-Backbone interact. energy: -0.099 local terms energy: -57.567557 where: bonds (distance) C4'-P energy: -9.891 bonds (distance) P-C4' energy: -14.664 flat angles C4'-P-C4' energy: -11.952 flat angles P-C4'-P energy: -9.355 tors. eta vs tors. theta energy: -11.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -128.500112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.500112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.500112 (E_RNA) where: Base-Base interactions energy: -73.709 where: short stacking energy: -47.266 Base-Backbone interact. energy: -0.001 local terms energy: -54.790040 where: bonds (distance) C4'-P energy: -14.636 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -12.906 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -9.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -98.905061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.905061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.905061 (E_RNA) where: Base-Base interactions energy: -49.874 where: short stacking energy: -38.155 Base-Backbone interact. energy: -0.485 local terms energy: -48.545941 where: bonds (distance) C4'-P energy: -15.368 bonds (distance) P-C4' energy: -8.947 flat angles C4'-P-C4' energy: -11.895 flat angles P-C4'-P energy: -6.865 tors. eta vs tors. theta energy: -5.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -81.992507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.992507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.992507 (E_RNA) where: Base-Base interactions energy: -33.298 where: short stacking energy: -33.298 Base-Backbone interact. energy: -0.065 local terms energy: -48.629421 where: bonds (distance) C4'-P energy: -13.808 bonds (distance) P-C4' energy: -16.482 flat angles C4'-P-C4' energy: -9.475 flat angles P-C4'-P energy: -5.864 tors. eta vs tors. theta energy: -3.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -80.553070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.553070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.553070 (E_RNA) where: Base-Base interactions energy: -43.810 where: short stacking energy: -42.157 Base-Backbone interact. energy: -0.126 local terms energy: -36.617199 where: bonds (distance) C4'-P energy: -12.636 bonds (distance) P-C4' energy: -7.031 flat angles C4'-P-C4' energy: -8.707 flat angles P-C4'-P energy: -0.971 tors. eta vs tors. theta energy: -7.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -74.090284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.090284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.090284 (E_RNA) where: Base-Base interactions energy: -31.296 where: short stacking energy: -27.444 Base-Backbone interact. energy: -0.033 local terms energy: -42.760586 where: bonds (distance) C4'-P energy: -11.035 bonds (distance) P-C4' energy: -11.668 flat angles C4'-P-C4' energy: -12.796 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -2.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -175.026467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.026467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.026467 (E_RNA) where: Base-Base interactions energy: -106.743 where: short stacking energy: -60.939 Base-Backbone interact. energy: -0.046 local terms energy: -68.237743 where: bonds (distance) C4'-P energy: -12.421 bonds (distance) P-C4' energy: -14.675 flat angles C4'-P-C4' energy: -12.180 flat angles P-C4'-P energy: -9.806 tors. eta vs tors. theta energy: -19.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -145.819403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.819403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.819403 (E_RNA) where: Base-Base interactions energy: -91.085 where: short stacking energy: -58.460 Base-Backbone interact. energy: -0.057 local terms energy: -54.677079 where: bonds (distance) C4'-P energy: -9.643 bonds (distance) P-C4' energy: -11.328 flat angles C4'-P-C4' energy: -14.502 flat angles P-C4'-P energy: -7.834 tors. eta vs tors. theta energy: -11.369 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: 4 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -151.057546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.057546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.057546 (E_RNA) where: Base-Base interactions energy: -89.735 where: short stacking energy: -55.325 Base-Backbone interact. energy: 0.130 local terms energy: -61.452827 where: bonds (distance) C4'-P energy: -14.359 bonds (distance) P-C4' energy: -13.701 flat angles C4'-P-C4' energy: -12.079 flat angles P-C4'-P energy: -7.700 tors. eta vs tors. theta energy: -13.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -138.571742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.571742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.571742 (E_RNA) where: Base-Base interactions energy: -82.353 where: short stacking energy: -48.494 Base-Backbone interact. energy: -0.003 local terms energy: -56.215388 where: bonds (distance) C4'-P energy: -11.622 bonds (distance) P-C4' energy: -11.053 flat angles C4'-P-C4' energy: -10.950 flat angles P-C4'-P energy: -8.802 tors. eta vs tors. theta energy: -13.788 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: 10 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -134.834815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.834815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.834815 (E_RNA) where: Base-Base interactions energy: -76.988 where: short stacking energy: -54.606 Base-Backbone interact. energy: -0.003 local terms energy: -57.843744 where: bonds (distance) C4'-P energy: -13.854 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -12.980 flat angles P-C4'-P energy: -8.621 tors. eta vs tors. theta energy: -10.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -93.274906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.274906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.274906 (E_RNA) where: Base-Base interactions energy: -40.816 where: short stacking energy: -40.816 Base-Backbone interact. energy: -0.025 local terms energy: -52.433620 where: bonds (distance) C4'-P energy: -8.969 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -12.567 flat angles P-C4'-P energy: -7.324 tors. eta vs tors. theta energy: -8.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -82.374097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.374097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.374097 (E_RNA) where: Base-Base interactions energy: -37.669 where: short stacking energy: -31.259 Base-Backbone interact. energy: -0.460 local terms energy: -44.245176 where: bonds (distance) C4'-P energy: -10.886 bonds (distance) P-C4' energy: -13.745 flat angles C4'-P-C4' energy: -10.309 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: -4.722 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: 8 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -93.872420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.872420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.872420 (E_RNA) where: Base-Base interactions energy: -47.474 where: short stacking energy: -37.954 Base-Backbone interact. energy: -0.088 local terms energy: -46.309900 where: bonds (distance) C4'-P energy: -8.989 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -11.411 flat angles P-C4'-P energy: -7.586 tors. eta vs tors. theta energy: -5.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -80.257700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.257700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.257700 (E_RNA) where: Base-Base interactions energy: -33.802 where: short stacking energy: -29.251 Base-Backbone interact. energy: -0.530 local terms energy: -45.926390 where: bonds (distance) C4'-P energy: -13.729 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -9.239 flat angles P-C4'-P energy: -7.763 tors. eta vs tors. theta energy: -1.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -85.436851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.436851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.436851 (E_RNA) where: Base-Base interactions energy: -39.891 where: short stacking energy: -29.832 Base-Backbone interact. energy: -0.551 local terms energy: -44.994327 where: bonds (distance) C4'-P energy: -9.984 bonds (distance) P-C4' energy: -12.520 flat angles C4'-P-C4' energy: -11.234 flat angles P-C4'-P energy: -5.501 tors. eta vs tors. theta energy: -5.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -172.606062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.606062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.606062 (E_RNA) where: Base-Base interactions energy: -108.423 where: short stacking energy: -66.451 Base-Backbone interact. energy: -0.003 local terms energy: -64.180221 where: bonds (distance) C4'-P energy: -12.868 bonds (distance) P-C4' energy: -12.474 flat angles C4'-P-C4' energy: -12.505 flat angles P-C4'-P energy: -12.044 tors. eta vs tors. theta energy: -14.289 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: 395 Temperature: 0.950000 Total energy: -152.465611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.465611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.465611 (E_RNA) where: Base-Base interactions energy: -90.328 where: short stacking energy: -52.240 Base-Backbone interact. energy: 0.559 local terms energy: -62.696943 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -13.302 flat angles C4'-P-C4' energy: -16.425 flat angles P-C4'-P energy: -7.578 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: 3, replica: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -155.457301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.457301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.457301 (E_RNA) where: Base-Base interactions energy: -90.724 where: short stacking energy: -53.168 Base-Backbone interact. energy: -0.042 local terms energy: -64.690577 where: bonds (distance) C4'-P energy: -14.848 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -13.670 flat angles P-C4'-P energy: -9.909 tors. eta vs tors. theta energy: -11.682 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: 10 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -144.869006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.869006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.869006 (E_RNA) where: Base-Base interactions energy: -87.207 where: short stacking energy: -54.080 Base-Backbone interact. energy: -0.613 local terms energy: -57.048985 where: bonds (distance) C4'-P energy: -10.745 bonds (distance) P-C4' energy: -12.576 flat angles C4'-P-C4' energy: -10.602 flat angles P-C4'-P energy: -7.365 tors. eta vs tors. theta energy: -15.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -123.801166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.801166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.801166 (E_RNA) where: Base-Base interactions energy: -71.909 where: short stacking energy: -40.684 Base-Backbone interact. energy: -0.101 local terms energy: -51.790821 where: bonds (distance) C4'-P energy: -13.427 bonds (distance) P-C4' energy: -7.545 flat angles C4'-P-C4' energy: -13.542 flat angles P-C4'-P energy: -6.740 tors. eta vs tors. theta energy: -10.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -104.812913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.812913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.812913 (E_RNA) where: Base-Base interactions energy: -45.483 where: short stacking energy: -45.483 Base-Backbone interact. energy: -0.001 local terms energy: -59.328809 where: bonds (distance) C4'-P energy: -12.777 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -8.815 flat angles P-C4'-P energy: -5.855 tors. eta vs tors. theta energy: -16.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -89.781437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.781437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.781437 (E_RNA) where: Base-Base interactions energy: -35.964 where: short stacking energy: -35.964 Base-Backbone interact. energy: -0.197 local terms energy: -53.620520 where: bonds (distance) C4'-P energy: -12.193 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -9.850 flat angles P-C4'-P energy: -10.179 tors. eta vs tors. theta energy: -7.612 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: 8, replica: 7 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -73.853497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.853497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.853497 (E_RNA) where: Base-Base interactions energy: -30.437 where: short stacking energy: -30.437 Base-Backbone interact. energy: -0.083 local terms energy: -43.333325 where: bonds (distance) C4'-P energy: -14.582 bonds (distance) P-C4' energy: -7.440 flat angles C4'-P-C4' energy: -14.201 flat angles P-C4'-P energy: -4.902 tors. eta vs tors. theta energy: -2.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -82.197380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.197380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.197380 (E_RNA) where: Base-Base interactions energy: -29.154 where: short stacking energy: -29.154 Base-Backbone interact. energy: -0.006 local terms energy: -53.037554 where: bonds (distance) C4'-P energy: -12.425 bonds (distance) P-C4' energy: -13.169 flat angles C4'-P-C4' energy: -13.266 flat angles P-C4'-P energy: -9.163 tors. eta vs tors. theta energy: -5.015 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: 10, replica: 6 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -73.184733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.184733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.184733 (E_RNA) where: Base-Base interactions energy: -29.981 where: short stacking energy: -29.981 Base-Backbone interact. energy: -0.151 local terms energy: -43.051766 where: bonds (distance) C4'-P energy: -12.016 bonds (distance) P-C4' energy: -13.945 flat angles C4'-P-C4' energy: -10.030 flat angles P-C4'-P energy: -2.686 tors. eta vs tors. theta energy: -4.375 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: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -168.671302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.671302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.671302 (E_RNA) where: Base-Base interactions energy: -107.115 where: short stacking energy: -60.869 Base-Backbone interact. energy: -0.101 local terms energy: -61.455578 where: bonds (distance) C4'-P energy: -12.591 bonds (distance) P-C4' energy: -14.412 flat angles C4'-P-C4' energy: -13.152 flat angles P-C4'-P energy: -9.312 tors. eta vs tors. theta energy: -11.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -142.415833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.415833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.415833 (E_RNA) where: Base-Base interactions energy: -83.598 where: short stacking energy: -54.921 Base-Backbone interact. energy: -0.006 local terms energy: -58.811940 where: bonds (distance) C4'-P energy: -11.146 bonds (distance) P-C4' energy: -14.368 flat angles C4'-P-C4' energy: -14.220 flat angles P-C4'-P energy: -8.657 tors. eta vs tors. theta energy: -10.421 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: 10 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -132.201502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.201502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.201502 (E_RNA) where: Base-Base interactions energy: -75.664 where: short stacking energy: -43.619 Base-Backbone interact. energy: -0.077 local terms energy: -56.459825 where: bonds (distance) C4'-P energy: -13.453 bonds (distance) P-C4' energy: -12.028 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -10.778 tors. eta vs tors. theta energy: -7.261 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: 4, replica: 3 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -137.144733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.144733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.144733 (E_RNA) where: Base-Base interactions energy: -83.475 where: short stacking energy: -55.196 Base-Backbone interact. energy: -0.066 local terms energy: -53.603380 where: bonds (distance) C4'-P energy: -11.395 bonds (distance) P-C4' energy: -15.700 flat angles C4'-P-C4' energy: -8.500 flat angles P-C4'-P energy: -9.359 tors. eta vs tors. theta energy: -8.650 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: 9 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -93.360551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.360551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.360551 (E_RNA) where: Base-Base interactions energy: -38.290 where: short stacking energy: -29.371 Base-Backbone interact. energy: -0.153 local terms energy: -54.917623 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -15.217 flat angles C4'-P-C4' energy: -13.731 flat angles P-C4'-P energy: -9.797 tors. eta vs tors. theta energy: -3.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -118.851242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.851242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.851242 (E_RNA) where: Base-Base interactions energy: -65.875 where: short stacking energy: -40.296 Base-Backbone interact. energy: -0.035 local terms energy: -52.940848 where: bonds (distance) C4'-P energy: -13.026 bonds (distance) P-C4' energy: -11.951 flat angles C4'-P-C4' energy: -11.510 flat angles P-C4'-P energy: -9.417 tors. eta vs tors. theta energy: -7.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -87.662672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.662672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.662672 (E_RNA) where: Base-Base interactions energy: -40.974 where: short stacking energy: -37.837 Base-Backbone interact. energy: 0.608 local terms energy: -47.296251 where: bonds (distance) C4'-P energy: -8.965 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -13.553 flat angles P-C4'-P energy: -6.714 tors. eta vs tors. theta energy: -3.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -85.219676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.219676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.219676 (E_RNA) where: Base-Base interactions energy: -40.625 where: short stacking energy: -32.333 Base-Backbone interact. energy: -0.249 local terms energy: -44.345937 where: bonds (distance) C4'-P energy: -11.436 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -11.472 flat angles P-C4'-P energy: -5.780 tors. eta vs tors. theta energy: -2.369 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: 6 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -90.190386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.190386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.190386 (E_RNA) where: Base-Base interactions energy: -46.039 where: short stacking energy: -46.039 Base-Backbone interact. energy: -0.046 local terms energy: -44.105504 where: bonds (distance) C4'-P energy: -11.130 bonds (distance) P-C4' energy: -12.635 flat angles C4'-P-C4' energy: -10.784 flat angles P-C4'-P energy: -5.944 tors. eta vs tors. theta energy: -3.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -70.109889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.109889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.109889 (E_RNA) where: Base-Base interactions energy: -19.841 where: short stacking energy: -19.841 Base-Backbone interact. energy: 0.422 local terms energy: -50.690121 where: bonds (distance) C4'-P energy: -11.946 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -14.001 flat angles P-C4'-P energy: -7.246 tors. eta vs tors. theta energy: -3.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -157.402285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.402285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.402285 (E_RNA) where: Base-Base interactions energy: -93.686 where: short stacking energy: -60.103 Base-Backbone interact. energy: -0.007 local terms energy: -63.708385 where: bonds (distance) C4'-P energy: -13.064 bonds (distance) P-C4' energy: -15.154 flat angles C4'-P-C4' energy: -13.017 flat angles P-C4'-P energy: -9.832 tors. eta vs tors. theta energy: -12.641 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: 4 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -145.127666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.127666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.127666 (E_RNA) where: Base-Base interactions energy: -86.827 where: short stacking energy: -56.182 Base-Backbone interact. energy: -0.245 local terms energy: -58.055490 where: bonds (distance) C4'-P energy: -12.442 bonds (distance) P-C4' energy: -11.644 flat angles C4'-P-C4' energy: -13.628 flat angles P-C4'-P energy: -8.772 tors. eta vs tors. theta energy: -11.570 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: 3, replica: 10 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -139.869043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.869043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.869043 (E_RNA) where: Base-Base interactions energy: -78.656 where: short stacking energy: -51.706 Base-Backbone interact. energy: -0.150 local terms energy: -61.063140 where: bonds (distance) C4'-P energy: -14.690 bonds (distance) P-C4' energy: -13.287 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -9.485 tors. eta vs tors. theta energy: -10.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -143.188169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.188169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.188169 (E_RNA) where: Base-Base interactions energy: -79.854 where: short stacking energy: -52.308 Base-Backbone interact. energy: -0.496 local terms energy: -62.838075 where: bonds (distance) C4'-P energy: -11.663 bonds (distance) P-C4' energy: -16.271 flat angles C4'-P-C4' energy: -12.991 flat angles P-C4'-P energy: -9.327 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: 5, replica: 9 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -95.567877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.567877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.567877 (E_RNA) where: Base-Base interactions energy: -42.123 where: short stacking energy: -42.123 Base-Backbone interact. energy: -0.137 local terms energy: -53.307982 where: bonds (distance) C4'-P energy: -14.094 bonds (distance) P-C4' energy: -13.319 flat angles C4'-P-C4' energy: -14.085 flat angles P-C4'-P energy: -2.366 tors. eta vs tors. theta energy: -9.444 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: 5 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -126.696886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.696886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.696886 (E_RNA) where: Base-Base interactions energy: -77.083 where: short stacking energy: -41.249 Base-Backbone interact. energy: -0.379 local terms energy: -49.234645 where: bonds (distance) C4'-P energy: -11.751 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -11.540 flat angles P-C4'-P energy: -7.042 tors. eta vs tors. theta energy: -3.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -85.956548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.956548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.956548 (E_RNA) where: Base-Base interactions energy: -37.934 where: short stacking energy: -37.934 Base-Backbone interact. energy: -0.174 local terms energy: -47.848445 where: bonds (distance) C4'-P energy: -10.687 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -8.855 flat angles P-C4'-P energy: -8.363 tors. eta vs tors. theta energy: -4.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -79.164699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.164699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.164699 (E_RNA) where: Base-Base interactions energy: -37.104 where: short stacking energy: -32.255 Base-Backbone interact. energy: 2.060 local terms energy: -44.120906 where: bonds (distance) C4'-P energy: -10.923 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -8.912 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -4.114 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: 1 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -75.301925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.301925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.301925 (E_RNA) where: Base-Base interactions energy: -22.466 where: short stacking energy: -22.466 Base-Backbone interact. energy: -0.311 local terms energy: -52.525088 where: bonds (distance) C4'-P energy: -12.488 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -10.491 flat angles P-C4'-P energy: -10.641 tors. eta vs tors. theta energy: -4.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -74.235281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.235281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.235281 (E_RNA) where: Base-Base interactions energy: -27.958 where: short stacking energy: -27.958 Base-Backbone interact. energy: -0.043 local terms energy: -46.234850 where: bonds (distance) C4'-P energy: -9.705 bonds (distance) P-C4' energy: -14.498 flat angles C4'-P-C4' energy: -10.402 flat angles P-C4'-P energy: -8.811 tors. eta vs tors. theta energy: -2.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -155.498284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.498284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.498284 (E_RNA) where: Base-Base interactions energy: -90.996 where: short stacking energy: -55.085 Base-Backbone interact. energy: -0.000 local terms energy: -64.502492 where: bonds (distance) C4'-P energy: -14.123 bonds (distance) P-C4' energy: -14.771 flat angles C4'-P-C4' energy: -13.023 flat angles P-C4'-P energy: -11.156 tors. eta vs tors. theta energy: -11.429 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: 2, replica: 2 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -153.236071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.236071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.236071 (E_RNA) where: Base-Base interactions energy: -92.002 where: short stacking energy: -56.950 Base-Backbone interact. energy: -0.000 local terms energy: -61.233480 where: bonds (distance) C4'-P energy: -13.162 bonds (distance) P-C4' energy: -12.756 flat angles C4'-P-C4' energy: -12.932 flat angles P-C4'-P energy: -10.595 tors. eta vs tors. theta energy: -11.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -146.742720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.742720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.742720 (E_RNA) where: Base-Base interactions energy: -82.439 where: short stacking energy: -46.787 Base-Backbone interact. energy: -0.060 local terms energy: -64.244548 where: bonds (distance) C4'-P energy: -15.117 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -12.708 flat angles P-C4'-P energy: -9.757 tors. eta vs tors. theta energy: -12.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -137.547297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.547297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.547297 (E_RNA) where: Base-Base interactions energy: -82.672 where: short stacking energy: -49.034 Base-Backbone interact. energy: -1.614 local terms energy: -53.260856 where: bonds (distance) C4'-P energy: -8.154 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -10.470 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: -15.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -130.110373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.110373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.110373 (E_RNA) where: Base-Base interactions energy: -76.135 where: short stacking energy: -40.427 Base-Backbone interact. energy: -0.226 local terms energy: -53.748841 where: bonds (distance) C4'-P energy: -12.824 bonds (distance) P-C4' energy: -13.170 flat angles C4'-P-C4' energy: -10.456 flat angles P-C4'-P energy: -8.685 tors. eta vs tors. theta energy: -8.614 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: 398 Temperature: 1.150000 Total energy: -101.850011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.850011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.850011 (E_RNA) where: Base-Base interactions energy: -46.294 where: short stacking energy: -44.023 Base-Backbone interact. energy: -0.247 local terms energy: -55.308849 where: bonds (distance) C4'-P energy: -11.776 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -13.801 flat angles P-C4'-P energy: -3.727 tors. eta vs tors. theta energy: -10.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -86.498082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.498082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.498082 (E_RNA) where: Base-Base interactions energy: -38.807 where: short stacking energy: -34.068 Base-Backbone interact. energy: -1.827 local terms energy: -45.864328 where: bonds (distance) C4'-P energy: -10.082 bonds (distance) P-C4' energy: -7.472 flat angles C4'-P-C4' energy: -11.763 flat angles P-C4'-P energy: -7.661 tors. eta vs tors. theta energy: -8.887 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: 8, replica: 7 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -79.460334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.460334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.460334 (E_RNA) where: Base-Base interactions energy: -31.517 where: short stacking energy: -28.308 Base-Backbone interact. energy: -0.038 local terms energy: -47.905216 where: bonds (distance) C4'-P energy: -13.207 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -13.462 flat angles P-C4'-P energy: -10.111 tors. eta vs tors. theta energy: 2.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -77.416854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.416854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.416854 (E_RNA) where: Base-Base interactions energy: -42.591 where: short stacking energy: -28.298 Base-Backbone interact. energy: -0.062 local terms energy: -34.764405 where: bonds (distance) C4'-P energy: -12.861 bonds (distance) P-C4' energy: -12.376 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: 0.861 tors. eta vs tors. theta energy: -3.944 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: 1 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -83.084344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.084344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.084344 (E_RNA) where: Base-Base interactions energy: -43.045 where: short stacking energy: -39.569 Base-Backbone interact. energy: -0.264 local terms energy: -39.775198 where: bonds (distance) C4'-P energy: -10.684 bonds (distance) P-C4' energy: -10.968 flat angles C4'-P-C4' energy: -6.069 flat angles P-C4'-P energy: -6.909 tors. eta vs tors. theta energy: -5.145 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: 4 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -169.050133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.050133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.050133 (E_RNA) where: Base-Base interactions energy: -100.265 where: short stacking energy: -71.609 Base-Backbone interact. energy: -0.069 local terms energy: -68.716100 where: bonds (distance) C4'-P energy: -12.367 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -14.029 flat angles P-C4'-P energy: -12.299 tors. eta vs tors. theta energy: -15.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -150.824777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.824777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.824777 (E_RNA) where: Base-Base interactions energy: -94.939 where: short stacking energy: -52.216 Base-Backbone interact. energy: -0.133 local terms energy: -55.752635 where: bonds (distance) C4'-P energy: -10.592 bonds (distance) P-C4' energy: -13.876 flat angles C4'-P-C4' energy: -12.079 flat angles P-C4'-P energy: -9.580 tors. eta vs tors. theta energy: -9.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -143.508668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.508668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.508668 (E_RNA) where: Base-Base interactions energy: -83.403 where: short stacking energy: -51.810 Base-Backbone interact. energy: -1.134 local terms energy: -58.972109 where: bonds (distance) C4'-P energy: -15.001 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -10.547 flat angles P-C4'-P energy: -7.045 tors. eta vs tors. theta energy: -11.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -149.608913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.608913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.608913 (E_RNA) where: Base-Base interactions energy: -88.238 where: short stacking energy: -56.179 Base-Backbone interact. energy: -0.000 local terms energy: -61.370303 where: bonds (distance) C4'-P energy: -11.917 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -13.921 flat angles P-C4'-P energy: -7.688 tors. eta vs tors. theta energy: -13.212 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: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -131.245389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.245389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.245389 (E_RNA) where: Base-Base interactions energy: -78.876 where: short stacking energy: -46.009 Base-Backbone interact. energy: -0.134 local terms energy: -52.235746 where: bonds (distance) C4'-P energy: -9.333 bonds (distance) P-C4' energy: -13.365 flat angles C4'-P-C4' energy: -13.561 flat angles P-C4'-P energy: -7.956 tors. eta vs tors. theta energy: -8.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -92.497219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.497219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.497219 (E_RNA) where: Base-Base interactions energy: -36.502 where: short stacking energy: -36.497 Base-Backbone interact. energy: -0.038 local terms energy: -55.957985 where: bonds (distance) C4'-P energy: -13.846 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -13.302 flat angles P-C4'-P energy: -8.341 tors. eta vs tors. theta energy: -6.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -96.017302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.017302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.017302 (E_RNA) where: Base-Base interactions energy: -44.913 where: short stacking energy: -31.128 Base-Backbone interact. energy: -0.184 local terms energy: -50.919971 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -14.522 flat angles C4'-P-C4' energy: -13.865 flat angles P-C4'-P energy: -10.296 tors. eta vs tors. theta energy: 1.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -79.318990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.318990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.318990 (E_RNA) where: Base-Base interactions energy: -36.219 where: short stacking energy: -31.633 Base-Backbone interact. energy: -0.577 local terms energy: -42.523699 where: bonds (distance) C4'-P energy: -10.492 bonds (distance) P-C4' energy: -13.802 flat angles C4'-P-C4' energy: -11.700 flat angles P-C4'-P energy: -5.317 tors. eta vs tors. theta energy: -1.212 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: 7 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -88.837098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.837098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.837098 (E_RNA) where: Base-Base interactions energy: -46.150 where: short stacking energy: -44.424 Base-Backbone interact. energy: -0.009 local terms energy: -42.677960 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -11.473 flat angles C4'-P-C4' energy: -8.436 flat angles P-C4'-P energy: -5.716 tors. eta vs tors. theta energy: -10.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -77.405266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.405266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.405266 (E_RNA) where: Base-Base interactions energy: -43.816 where: short stacking energy: -31.139 Base-Backbone interact. energy: -0.187 local terms energy: -33.401876 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -10.765 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: -7.885 tors. eta vs tors. theta energy: -0.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -160.528404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.528404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.528404 (E_RNA) where: Base-Base interactions energy: -91.568 where: short stacking energy: -60.903 Base-Backbone interact. energy: -0.006 local terms energy: -68.954226 where: bonds (distance) C4'-P energy: -11.719 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -15.319 flat angles P-C4'-P energy: -10.839 tors. eta vs tors. theta energy: -16.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -152.707092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.707092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.707092 (E_RNA) where: Base-Base interactions energy: -91.421 where: short stacking energy: -60.382 Base-Backbone interact. energy: -0.131 local terms energy: -61.154676 where: bonds (distance) C4'-P energy: -13.412 bonds (distance) P-C4' energy: -12.936 flat angles C4'-P-C4' energy: -10.787 flat angles P-C4'-P energy: -7.392 tors. eta vs tors. theta energy: -16.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -151.575891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.575891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.575891 (E_RNA) where: Base-Base interactions energy: -99.318 where: short stacking energy: -55.641 Base-Backbone interact. energy: 1.736 local terms energy: -53.994148 where: bonds (distance) C4'-P energy: -7.949 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -13.707 flat angles P-C4'-P energy: -8.828 tors. eta vs tors. theta energy: -8.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -143.325092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.325092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.325092 (E_RNA) where: Base-Base interactions energy: -86.025 where: short stacking energy: -52.572 Base-Backbone interact. energy: -0.070 local terms energy: -57.230343 where: bonds (distance) C4'-P energy: -11.577 bonds (distance) P-C4' energy: -12.308 flat angles C4'-P-C4' energy: -12.655 flat angles P-C4'-P energy: -8.936 tors. eta vs tors. theta energy: -11.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -120.193735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.193735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.193735 (E_RNA) where: Base-Base interactions energy: -71.380 where: short stacking energy: -34.743 Base-Backbone interact. energy: 0.343 local terms energy: -49.157517 where: bonds (distance) C4'-P energy: -11.715 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -12.338 flat angles P-C4'-P energy: -7.983 tors. eta vs tors. theta energy: -3.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -96.168074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.168074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.168074 (E_RNA) where: Base-Base interactions energy: -38.742 where: short stacking energy: -38.742 Base-Backbone interact. energy: -0.204 local terms energy: -57.222031 where: bonds (distance) C4'-P energy: -11.115 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -12.799 flat angles P-C4'-P energy: -9.551 tors. eta vs tors. theta energy: -10.032 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: 400 Temperature: 1.200000 Total energy: -96.067225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.067225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.067225 (E_RNA) where: Base-Base interactions energy: -41.093 where: short stacking energy: -41.093 Base-Backbone interact. energy: -0.186 local terms energy: -54.787731 where: bonds (distance) C4'-P energy: -14.715 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -12.113 flat angles P-C4'-P energy: -9.325 tors. eta vs tors. theta energy: -4.855 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: 9 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -84.402901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.402901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.402901 (E_RNA) where: Base-Base interactions energy: -39.296 where: short stacking energy: -39.296 Base-Backbone interact. energy: -0.133 local terms energy: -44.974566 where: bonds (distance) C4'-P energy: -9.772 bonds (distance) P-C4' energy: -11.610 flat angles C4'-P-C4' energy: -8.835 flat angles P-C4'-P energy: -8.257 tors. eta vs tors. theta energy: -6.500 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: 1 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -83.293710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.293710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.293710 (E_RNA) where: Base-Base interactions energy: -42.513 where: short stacking energy: -42.513 Base-Backbone interact. energy: -0.063 local terms energy: -40.717934 where: bonds (distance) C4'-P energy: -6.174 bonds (distance) P-C4' energy: -10.351 flat angles C4'-P-C4' energy: -10.763 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -9.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -80.897659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.897659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.897659 (E_RNA) where: Base-Base interactions energy: -33.979 where: short stacking energy: -32.158 Base-Backbone interact. energy: -0.190 local terms energy: -46.728350 where: bonds (distance) C4'-P energy: -8.302 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -12.610 flat angles P-C4'-P energy: -8.800 tors. eta vs tors. theta energy: -4.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -167.701079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.701079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.701079 (E_RNA) where: Base-Base interactions energy: -101.959 where: short stacking energy: -65.042 Base-Backbone interact. energy: -0.212 local terms energy: -65.530600 where: bonds (distance) C4'-P energy: -10.758 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -15.983 flat angles P-C4'-P energy: -9.366 tors. eta vs tors. theta energy: -16.202 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: 3 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -148.266242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.266242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.266242 (E_RNA) where: Base-Base interactions energy: -89.604 where: short stacking energy: -49.405 Base-Backbone interact. energy: 1.118 local terms energy: -59.779985 where: bonds (distance) C4'-P energy: -12.723 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -13.753 flat angles P-C4'-P energy: -6.655 tors. eta vs tors. theta energy: -11.998 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: 2 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -164.612014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.612014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.612014 (E_RNA) where: Base-Base interactions energy: -100.187 where: short stacking energy: -58.601 Base-Backbone interact. energy: -0.337 local terms energy: -64.087774 where: bonds (distance) C4'-P energy: -14.334 bonds (distance) P-C4' energy: -12.917 flat angles C4'-P-C4' energy: -12.155 flat angles P-C4'-P energy: -5.442 tors. eta vs tors. theta energy: -19.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -146.145270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.145270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.145270 (E_RNA) where: Base-Base interactions energy: -89.994 where: short stacking energy: -49.494 Base-Backbone interact. energy: -0.041 local terms energy: -56.110187 where: bonds (distance) C4'-P energy: -13.374 bonds (distance) P-C4' energy: -12.242 flat angles C4'-P-C4' energy: -12.952 flat angles P-C4'-P energy: -9.246 tors. eta vs tors. theta energy: -8.296 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: 10 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -135.490480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.490480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.490480 (E_RNA) where: Base-Base interactions energy: -78.135 where: short stacking energy: -47.376 Base-Backbone interact. energy: -0.287 local terms energy: -57.068623 where: bonds (distance) C4'-P energy: -13.809 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -13.306 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -11.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -93.331530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.331530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.331530 (E_RNA) where: Base-Base interactions energy: -39.911 where: short stacking energy: -36.751 Base-Backbone interact. energy: -0.401 local terms energy: -53.019196 where: bonds (distance) C4'-P energy: -11.536 bonds (distance) P-C4' energy: -15.319 flat angles C4'-P-C4' energy: -11.719 flat angles P-C4'-P energy: -9.076 tors. eta vs tors. theta energy: -5.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -80.752473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.752473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.752473 (E_RNA) where: Base-Base interactions energy: -35.546 where: short stacking energy: -33.980 Base-Backbone interact. energy: 0.475 local terms energy: -45.681322 where: bonds (distance) C4'-P energy: -10.310 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -9.676 flat angles P-C4'-P energy: -8.263 tors. eta vs tors. theta energy: -4.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -80.486255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.486255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.486255 (E_RNA) where: Base-Base interactions energy: -35.817 where: short stacking energy: -18.739 Base-Backbone interact. energy: -0.333 local terms energy: -44.336217 where: bonds (distance) C4'-P energy: -12.028 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -10.638 flat angles P-C4'-P energy: -8.421 tors. eta vs tors. theta energy: 1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -86.739893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.739893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.739893 (E_RNA) where: Base-Base interactions energy: -36.745 where: short stacking energy: -36.745 Base-Backbone interact. energy: -0.013 local terms energy: -49.982832 where: bonds (distance) C4'-P energy: -9.101 bonds (distance) P-C4' energy: -11.550 flat angles C4'-P-C4' energy: -12.354 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -7.963 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: 10, replica: 7 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -75.718245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.718245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.718245 (E_RNA) where: Base-Base interactions energy: -30.856 where: short stacking energy: -26.393 Base-Backbone interact. energy: 0.490 local terms energy: -45.352066 where: bonds (distance) C4'-P energy: -11.038 bonds (distance) P-C4' energy: -14.399 flat angles C4'-P-C4' energy: -13.177 flat angles P-C4'-P energy: -6.027 tors. eta vs tors. theta energy: -0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -172.559498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.559498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.559498 (E_RNA) where: Base-Base interactions energy: -109.603 where: short stacking energy: -68.712 Base-Backbone interact. energy: -0.080 local terms energy: -62.876706 where: bonds (distance) C4'-P energy: -11.738 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -13.605 flat angles P-C4'-P energy: -7.034 tors. eta vs tors. theta energy: -14.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -151.363716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.363716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.363716 (E_RNA) where: Base-Base interactions energy: -88.014 where: short stacking energy: -54.660 Base-Backbone interact. energy: -0.231 local terms energy: -63.119438 where: bonds (distance) C4'-P energy: -13.730 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -14.435 flat angles P-C4'-P energy: -9.103 tors. eta vs tors. theta energy: -11.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -154.582180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.582180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.582180 (E_RNA) where: Base-Base interactions energy: -94.569 where: short stacking energy: -62.209 Base-Backbone interact. energy: -0.007 local terms energy: -60.006299 where: bonds (distance) C4'-P energy: -10.857 bonds (distance) P-C4' energy: -11.554 flat angles C4'-P-C4' energy: -14.439 flat angles P-C4'-P energy: -7.288 tors. eta vs tors. theta energy: -15.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -141.938645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.938645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.938645 (E_RNA) where: Base-Base interactions energy: -84.322 where: short stacking energy: -53.793 Base-Backbone interact. energy: -0.175 local terms energy: -57.442329 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -13.585 flat angles P-C4'-P energy: -9.386 tors. eta vs tors. theta energy: -10.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -100.453007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.453007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.453007 (E_RNA) where: Base-Base interactions energy: -43.313 where: short stacking energy: -43.238 Base-Backbone interact. energy: -0.035 local terms energy: -57.104437 where: bonds (distance) C4'-P energy: -12.992 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -11.188 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -12.159 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: 10 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -121.573952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.573952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.573952 (E_RNA) where: Base-Base interactions energy: -69.216 where: short stacking energy: -35.960 Base-Backbone interact. energy: -0.092 local terms energy: -52.265679 where: bonds (distance) C4'-P energy: -13.398 bonds (distance) P-C4' energy: -11.016 flat angles C4'-P-C4' energy: -11.854 flat angles P-C4'-P energy: -9.916 tors. eta vs tors. theta energy: -6.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -90.508461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.508461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.508461 (E_RNA) where: Base-Base interactions energy: -37.005 where: short stacking energy: -35.070 Base-Backbone interact. energy: -0.089 local terms energy: -53.414493 where: bonds (distance) C4'-P energy: -13.306 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -10.469 tors. eta vs tors. theta energy: -7.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -97.360224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.360224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.360224 (E_RNA) where: Base-Base interactions energy: -47.179 where: short stacking energy: -47.527 Base-Backbone interact. energy: -0.307 local terms energy: -49.873945 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -14.014 flat angles C4'-P-C4' energy: -12.259 flat angles P-C4'-P energy: -8.713 tors. eta vs tors. theta energy: -6.989 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: 7 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -77.064672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.064672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.064672 (E_RNA) where: Base-Base interactions energy: -41.785 where: short stacking energy: -28.362 Base-Backbone interact. energy: -0.036 local terms energy: -35.243997 where: bonds (distance) C4'-P energy: -6.094 bonds (distance) P-C4' energy: -13.160 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: -4.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -69.977064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.977064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.977064 (E_RNA) where: Base-Base interactions energy: -30.232 where: short stacking energy: -26.589 Base-Backbone interact. energy: -0.113 local terms energy: -39.632090 where: bonds (distance) C4'-P energy: -9.353 bonds (distance) P-C4' energy: -12.271 flat angles C4'-P-C4' energy: -8.397 flat angles P-C4'-P energy: -8.266 tors. eta vs tors. theta energy: -1.344 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: 4 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -159.462379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.462379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.462379 (E_RNA) where: Base-Base interactions energy: -100.154 where: short stacking energy: -60.814 Base-Backbone interact. energy: 0.247 local terms energy: -59.554776 where: bonds (distance) C4'-P energy: -11.627 bonds (distance) P-C4' energy: -14.062 flat angles C4'-P-C4' energy: -13.988 flat angles P-C4'-P energy: -6.833 tors. eta vs tors. theta energy: -13.045 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: 3 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -152.816080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.816080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.816080 (E_RNA) where: Base-Base interactions energy: -93.381 where: short stacking energy: -52.396 Base-Backbone interact. energy: -0.001 local terms energy: -59.434143 where: bonds (distance) C4'-P energy: -14.351 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -11.991 flat angles P-C4'-P energy: -5.604 tors. eta vs tors. theta energy: -13.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -148.246787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.246787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.246787 (E_RNA) where: Base-Base interactions energy: -84.535 where: short stacking energy: -58.996 Base-Backbone interact. energy: -0.006 local terms energy: -63.705857 where: bonds (distance) C4'-P energy: -10.309 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -12.269 flat angles P-C4'-P energy: -9.278 tors. eta vs tors. theta energy: -16.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -142.182151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.182151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.182151 (E_RNA) where: Base-Base interactions energy: -88.629 where: short stacking energy: -51.622 Base-Backbone interact. energy: -0.027 local terms energy: -53.526308 where: bonds (distance) C4'-P energy: -8.953 bonds (distance) P-C4' energy: -11.629 flat angles C4'-P-C4' energy: -10.011 flat angles P-C4'-P energy: -9.951 tors. eta vs tors. theta energy: -12.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -84.832953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.832953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.832953 (E_RNA) where: Base-Base interactions energy: -35.507 where: short stacking energy: -32.328 Base-Backbone interact. energy: -0.466 local terms energy: -48.860200 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -12.368 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -4.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -122.881350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.881350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.881350 (E_RNA) where: Base-Base interactions energy: -62.228 where: short stacking energy: -38.904 Base-Backbone interact. energy: -0.050 local terms energy: -60.603608 where: bonds (distance) C4'-P energy: -11.246 bonds (distance) P-C4' energy: -9.793 flat angles C4'-P-C4' energy: -12.905 flat angles P-C4'-P energy: -11.321 tors. eta vs tors. theta energy: -15.337 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: 7, replica: 8 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -90.931654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.931654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.931654 (E_RNA) where: Base-Base interactions energy: -37.767 where: short stacking energy: -37.767 Base-Backbone interact. energy: -0.038 local terms energy: -53.126321 where: bonds (distance) C4'-P energy: -10.475 bonds (distance) P-C4' energy: -15.215 flat angles C4'-P-C4' energy: -13.259 flat angles P-C4'-P energy: -9.313 tors. eta vs tors. theta energy: -4.865 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: 7 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -86.929884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.929884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.929884 (E_RNA) where: Base-Base interactions energy: -39.093 where: short stacking energy: -39.093 Base-Backbone interact. energy: -0.001 local terms energy: -47.835974 where: bonds (distance) C4'-P energy: -10.632 bonds (distance) P-C4' energy: -12.586 flat angles C4'-P-C4' energy: -11.772 flat angles P-C4'-P energy: -7.357 tors. eta vs tors. theta energy: -5.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -77.856819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.856819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.856819 (E_RNA) where: Base-Base interactions energy: -32.651 where: short stacking energy: -32.429 Base-Backbone interact. energy: -0.006 local terms energy: -45.199683 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -14.771 flat angles C4'-P-C4' energy: -11.312 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -1.192 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: 9 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -71.262346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.262346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.262346 (E_RNA) where: Base-Base interactions energy: -36.063 where: short stacking energy: -23.644 Base-Backbone interact. energy: 0.382 local terms energy: -35.580868 where: bonds (distance) C4'-P energy: -12.549 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -5.981 tors. eta vs tors. theta energy: -2.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -165.577676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.577676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.577676 (E_RNA) where: Base-Base interactions energy: -99.914 where: short stacking energy: -66.273 Base-Backbone interact. energy: -0.000 local terms energy: -65.662721 where: bonds (distance) C4'-P energy: -13.535 bonds (distance) P-C4' energy: -14.968 flat angles C4'-P-C4' energy: -12.889 flat angles P-C4'-P energy: -11.525 tors. eta vs tors. theta energy: -12.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -143.678549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.678549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.678549 (E_RNA) where: Base-Base interactions energy: -88.962 where: short stacking energy: -54.957 Base-Backbone interact. energy: -0.230 local terms energy: -54.486662 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -12.031 flat angles P-C4'-P energy: -10.475 tors. eta vs tors. theta energy: -8.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -145.362662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.362662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.362662 (E_RNA) where: Base-Base interactions energy: -88.300 where: short stacking energy: -46.061 Base-Backbone interact. energy: -0.026 local terms energy: -57.036211 where: bonds (distance) C4'-P energy: -12.360 bonds (distance) P-C4' energy: -10.847 flat angles C4'-P-C4' energy: -13.619 flat angles P-C4'-P energy: -9.028 tors. eta vs tors. theta energy: -11.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -143.915479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.915479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.915479 (E_RNA) where: Base-Base interactions energy: -87.716 where: short stacking energy: -52.618 Base-Backbone interact. energy: -0.003 local terms energy: -56.196761 where: bonds (distance) C4'-P energy: -10.302 bonds (distance) P-C4' energy: -13.853 flat angles C4'-P-C4' energy: -13.355 flat angles P-C4'-P energy: -8.367 tors. eta vs tors. theta energy: -10.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -136.860009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.860009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.860009 (E_RNA) where: Base-Base interactions energy: -83.416 where: short stacking energy: -55.617 Base-Backbone interact. energy: -0.002 local terms energy: -53.442328 where: bonds (distance) C4'-P energy: -11.921 bonds (distance) P-C4' energy: -14.728 flat angles C4'-P-C4' energy: -9.161 flat angles P-C4'-P energy: -6.457 tors. eta vs tors. theta energy: -11.175 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: 6, replica: 6 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -97.743465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.743465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.743465 (E_RNA) where: Base-Base interactions energy: -42.538 where: short stacking energy: -42.538 Base-Backbone interact. energy: -0.009 local terms energy: -55.196979 where: bonds (distance) C4'-P energy: -9.405 bonds (distance) P-C4' energy: -11.756 flat angles C4'-P-C4' energy: -12.773 flat angles P-C4'-P energy: -9.952 tors. eta vs tors. theta energy: -11.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -89.135758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.135758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.135758 (E_RNA) where: Base-Base interactions energy: -38.761 where: short stacking energy: -32.017 Base-Backbone interact. energy: -0.010 local terms energy: -50.364952 where: bonds (distance) C4'-P energy: -12.645 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -11.221 flat angles P-C4'-P energy: -8.704 tors. eta vs tors. theta energy: -4.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -95.192595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.192595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.192595 (E_RNA) where: Base-Base interactions energy: -46.621 where: short stacking energy: -30.869 Base-Backbone interact. energy: -0.027 local terms energy: -48.544790 where: bonds (distance) C4'-P energy: -8.058 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -11.690 flat angles P-C4'-P energy: -8.354 tors. eta vs tors. theta energy: -5.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -76.823153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.823153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.823153 (E_RNA) where: Base-Base interactions energy: -28.721 where: short stacking energy: -28.528 Base-Backbone interact. energy: 1.766 local terms energy: -49.868436 where: bonds (distance) C4'-P energy: -14.963 bonds (distance) P-C4' energy: -11.683 flat angles C4'-P-C4' energy: -10.852 flat angles P-C4'-P energy: -9.918 tors. eta vs tors. theta energy: -2.451 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: 10, replica: 1 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -80.383229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.383229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.383229 (E_RNA) where: Base-Base interactions energy: -37.719 where: short stacking energy: -37.719 Base-Backbone interact. energy: -0.414 local terms energy: -42.250361 where: bonds (distance) C4'-P energy: -10.686 bonds (distance) P-C4' energy: -10.422 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -7.938 tors. eta vs tors. theta energy: -6.403 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: 3 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -178.853134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.853134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.853134 (E_RNA) where: Base-Base interactions energy: -112.369 where: short stacking energy: -71.947 Base-Backbone interact. energy: -0.448 local terms energy: -66.035606 where: bonds (distance) C4'-P energy: -12.170 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -13.494 flat angles P-C4'-P energy: -7.614 tors. eta vs tors. theta energy: -17.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -148.489618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.489618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.489618 (E_RNA) where: Base-Base interactions energy: -96.843 where: short stacking energy: -57.767 Base-Backbone interact. energy: -0.380 local terms energy: -51.266216 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -12.038 flat angles C4'-P-C4' energy: -11.232 flat angles P-C4'-P energy: -11.169 tors. eta vs tors. theta energy: -11.837 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: 4 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -154.946869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.946869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.946869 (E_RNA) where: Base-Base interactions energy: -86.127 where: short stacking energy: -52.788 Base-Backbone interact. energy: -0.000 local terms energy: -68.819944 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -14.577 flat angles P-C4'-P energy: -9.059 tors. eta vs tors. theta energy: -15.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -136.973210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.973210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.973210 (E_RNA) where: Base-Base interactions energy: -81.308 where: short stacking energy: -50.297 Base-Backbone interact. energy: 0.037 local terms energy: -55.702029 where: bonds (distance) C4'-P energy: -11.573 bonds (distance) P-C4' energy: -11.624 flat angles C4'-P-C4' energy: -13.322 flat angles P-C4'-P energy: -8.505 tors. eta vs tors. theta energy: -10.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -129.163500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.163500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.163500 (E_RNA) where: Base-Base interactions energy: -75.856 where: short stacking energy: -45.750 Base-Backbone interact. energy: -0.007 local terms energy: -53.300384 where: bonds (distance) C4'-P energy: -13.642 bonds (distance) P-C4' energy: -10.321 flat angles C4'-P-C4' energy: -11.690 flat angles P-C4'-P energy: -8.603 tors. eta vs tors. theta energy: -9.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -99.776376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.776376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.776376 (E_RNA) where: Base-Base interactions energy: -45.725 where: short stacking energy: -45.725 Base-Backbone interact. energy: -0.003 local terms energy: -54.048697 where: bonds (distance) C4'-P energy: -14.719 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -11.914 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -8.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -89.947217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.947217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.947217 (E_RNA) where: Base-Base interactions energy: -49.938 where: short stacking energy: -34.208 Base-Backbone interact. energy: -0.162 local terms energy: -39.847146 where: bonds (distance) C4'-P energy: -4.749 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -10.620 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -7.037 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: 8 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -91.351000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.351000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.351000 (E_RNA) where: Base-Base interactions energy: -40.195 where: short stacking energy: -33.423 Base-Backbone interact. energy: -0.679 local terms energy: -50.476691 where: bonds (distance) C4'-P energy: -14.670 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -8.739 flat angles P-C4'-P energy: -7.584 tors. eta vs tors. theta energy: -6.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -76.566116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.566116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.566116 (E_RNA) where: Base-Base interactions energy: -31.969 where: short stacking energy: -27.017 Base-Backbone interact. energy: -0.294 local terms energy: -44.303112 where: bonds (distance) C4'-P energy: -13.259 bonds (distance) P-C4' energy: -11.505 flat angles C4'-P-C4' energy: -9.782 flat angles P-C4'-P energy: -9.126 tors. eta vs tors. theta energy: -0.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -67.797843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.797843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.797843 (E_RNA) where: Base-Base interactions energy: -23.796 where: short stacking energy: -23.796 Base-Backbone interact. energy: -0.066 local terms energy: -43.936047 where: bonds (distance) C4'-P energy: -9.246 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -10.424 flat angles P-C4'-P energy: -7.747 tors. eta vs tors. theta energy: -1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -167.452979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.452979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.452979 (E_RNA) where: Base-Base interactions energy: -99.960 where: short stacking energy: -56.991 Base-Backbone interact. energy: -0.002 local terms energy: -67.490938 where: bonds (distance) C4'-P energy: -14.111 bonds (distance) P-C4' energy: -12.173 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -9.779 tors. eta vs tors. theta energy: -17.220 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: 5 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -139.201862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.201862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.201862 (E_RNA) where: Base-Base interactions energy: -81.160 where: short stacking energy: -48.342 Base-Backbone interact. energy: 0.216 local terms energy: -58.257600 where: bonds (distance) C4'-P energy: -10.990 bonds (distance) P-C4' energy: -12.766 flat angles C4'-P-C4' energy: -15.110 flat angles P-C4'-P energy: -10.200 tors. eta vs tors. theta energy: -9.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -144.754200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.754200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.754200 (E_RNA) where: Base-Base interactions energy: -84.415 where: short stacking energy: -50.060 Base-Backbone interact. energy: -0.050 local terms energy: -60.289283 where: bonds (distance) C4'-P energy: -14.057 bonds (distance) P-C4' energy: -11.681 flat angles C4'-P-C4' energy: -12.249 flat angles P-C4'-P energy: -11.737 tors. eta vs tors. theta energy: -10.566 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: 4 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -145.422813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.422813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.422813 (E_RNA) where: Base-Base interactions energy: -85.250 where: short stacking energy: -52.482 Base-Backbone interact. energy: -0.296 local terms energy: -59.876905 where: bonds (distance) C4'-P energy: -12.025 bonds (distance) P-C4' energy: -12.458 flat angles C4'-P-C4' energy: -13.306 flat angles P-C4'-P energy: -9.485 tors. eta vs tors. theta energy: -12.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -127.295663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.295663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.295663 (E_RNA) where: Base-Base interactions energy: -75.824 where: short stacking energy: -47.423 Base-Backbone interact. energy: -0.100 local terms energy: -51.371985 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -13.653 flat angles C4'-P-C4' energy: -12.656 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: -8.130 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: 7 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -89.306145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.306145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.306145 (E_RNA) where: Base-Base interactions energy: -40.915 where: short stacking energy: -40.915 Base-Backbone interact. energy: -0.011 local terms energy: -48.380615 where: bonds (distance) C4'-P energy: -10.256 bonds (distance) P-C4' energy: -12.446 flat angles C4'-P-C4' energy: -8.541 flat angles P-C4'-P energy: -7.103 tors. eta vs tors. theta energy: -10.034 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: 406 Temperature: 1.200000 Total energy: -87.121044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.121044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.121044 (E_RNA) where: Base-Base interactions energy: -39.671 where: short stacking energy: -27.028 Base-Backbone interact. energy: -0.209 local terms energy: -47.240425 where: bonds (distance) C4'-P energy: -14.376 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -9.548 flat angles P-C4'-P energy: -8.528 tors. eta vs tors. theta energy: -0.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -127.906029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.906029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.906029 (E_RNA) where: Base-Base interactions energy: -68.136 where: short stacking energy: -39.644 Base-Backbone interact. energy: -0.084 local terms energy: -59.685769 where: bonds (distance) C4'-P energy: -13.480 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -15.143 flat angles P-C4'-P energy: -6.257 tors. eta vs tors. theta energy: -10.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -77.340168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.340168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.340168 (E_RNA) where: Base-Base interactions energy: -37.323 where: short stacking energy: -35.255 Base-Backbone interact. energy: -0.025 local terms energy: -39.992396 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -11.592 flat angles C4'-P-C4' energy: -12.565 flat angles P-C4'-P energy: -4.260 tors. eta vs tors. theta energy: -4.593 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: 9 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -74.068363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.068363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.068363 (E_RNA) where: Base-Base interactions energy: -39.064 where: short stacking energy: -33.149 Base-Backbone interact. energy: -0.107 local terms energy: -34.896767 where: bonds (distance) C4'-P energy: -9.317 bonds (distance) P-C4' energy: -12.698 flat angles C4'-P-C4' energy: -9.584 flat angles P-C4'-P energy: -2.100 tors. eta vs tors. theta energy: -1.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -157.068735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.068735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.068735 (E_RNA) where: Base-Base interactions energy: -96.152 where: short stacking energy: -56.916 Base-Backbone interact. energy: -0.007 local terms energy: -60.910228 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -12.109 flat angles C4'-P-C4' energy: -12.471 flat angles P-C4'-P energy: -10.679 tors. eta vs tors. theta energy: -12.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -154.706690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.706690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.706690 (E_RNA) where: Base-Base interactions energy: -97.674 where: short stacking energy: -54.122 Base-Backbone interact. energy: 1.511 local terms energy: -58.544259 where: bonds (distance) C4'-P energy: -11.817 bonds (distance) P-C4' energy: -12.453 flat angles C4'-P-C4' energy: -14.034 flat angles P-C4'-P energy: -9.894 tors. eta vs tors. theta energy: -10.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -134.576077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.576077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.576077 (E_RNA) where: Base-Base interactions energy: -82.274 where: short stacking energy: -33.395 Base-Backbone interact. energy: -0.016 local terms energy: -52.286902 where: bonds (distance) C4'-P energy: -13.357 bonds (distance) P-C4' energy: -11.919 flat angles C4'-P-C4' energy: -10.084 flat angles P-C4'-P energy: -9.656 tors. eta vs tors. theta energy: -7.271 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: 2 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -135.366253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.366253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.366253 (E_RNA) where: Base-Base interactions energy: -76.945 where: short stacking energy: -54.780 Base-Backbone interact. energy: -0.013 local terms energy: -58.408591 where: bonds (distance) C4'-P energy: -11.394 bonds (distance) P-C4' energy: -12.094 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -8.029 tors. eta vs tors. theta energy: -14.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -132.074396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.074396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.074396 (E_RNA) where: Base-Base interactions energy: -79.755 where: short stacking energy: -50.090 Base-Backbone interact. energy: -0.445 local terms energy: -51.874064 where: bonds (distance) C4'-P energy: -9.971 bonds (distance) P-C4' energy: -11.922 flat angles C4'-P-C4' energy: -11.406 flat angles P-C4'-P energy: -8.433 tors. eta vs tors. theta energy: -10.143 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: 407 Temperature: 1.150000 Total energy: -94.083154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.083154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.083154 (E_RNA) where: Base-Base interactions energy: -43.551 where: short stacking energy: -43.551 Base-Backbone interact. energy: -0.006 local terms energy: -50.525993 where: bonds (distance) C4'-P energy: -15.088 bonds (distance) P-C4' energy: -11.734 flat angles C4'-P-C4' energy: -10.784 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -7.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -105.080842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.080842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.080842 (E_RNA) where: Base-Base interactions energy: -49.781 where: short stacking energy: -49.781 Base-Backbone interact. energy: -0.001 local terms energy: -55.299347 where: bonds (distance) C4'-P energy: -10.050 bonds (distance) P-C4' energy: -11.735 flat angles C4'-P-C4' energy: -15.302 flat angles P-C4'-P energy: -7.239 tors. eta vs tors. theta energy: -10.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -80.913315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.913315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.913315 (E_RNA) where: Base-Base interactions energy: -40.040 where: short stacking energy: -18.688 Base-Backbone interact. energy: -0.180 local terms energy: -40.694201 where: bonds (distance) C4'-P energy: -13.487 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -10.317 flat angles P-C4'-P energy: -3.610 tors. eta vs tors. theta energy: 2.656 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: 6 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -85.691284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.691284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.691284 (E_RNA) where: Base-Base interactions energy: -38.430 where: short stacking energy: -35.029 Base-Backbone interact. energy: -0.722 local terms energy: -46.539162 where: bonds (distance) C4'-P energy: -12.545 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -14.165 flat angles P-C4'-P energy: -7.339 tors. eta vs tors. theta energy: -4.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -70.636878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.636878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.636878 (E_RNA) where: Base-Base interactions energy: -22.300 where: short stacking energy: -21.205 Base-Backbone interact. energy: 0.458 local terms energy: -48.794513 where: bonds (distance) C4'-P energy: -12.335 bonds (distance) P-C4' energy: -14.796 flat angles C4'-P-C4' energy: -10.474 flat angles P-C4'-P energy: -6.946 tors. eta vs tors. theta energy: -4.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -165.666832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.666832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.666832 (E_RNA) where: Base-Base interactions energy: -99.059 where: short stacking energy: -64.647 Base-Backbone interact. energy: -0.659 local terms energy: -65.948427 where: bonds (distance) C4'-P energy: -13.978 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -10.553 flat angles P-C4'-P energy: -10.601 tors. eta vs tors. theta energy: -15.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -149.389877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.389877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.389877 (E_RNA) where: Base-Base interactions energy: -90.255 where: short stacking energy: -55.848 Base-Backbone interact. energy: -0.013 local terms energy: -59.121803 where: bonds (distance) C4'-P energy: -11.957 bonds (distance) P-C4' energy: -13.190 flat angles C4'-P-C4' energy: -14.514 flat angles P-C4'-P energy: -9.521 tors. eta vs tors. theta energy: -9.939 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: 3, replica: 2 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -151.077554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.077554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.077554 (E_RNA) where: Base-Base interactions energy: -93.596 where: short stacking energy: -55.837 Base-Backbone interact. energy: 0.473 local terms energy: -57.953748 where: bonds (distance) C4'-P energy: -13.987 bonds (distance) P-C4' energy: -10.002 flat angles C4'-P-C4' energy: -12.444 flat angles P-C4'-P energy: -9.081 tors. eta vs tors. theta energy: -12.440 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: 408 Temperature: 1.050000 Total energy: -135.701244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.701244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.701244 (E_RNA) where: Base-Base interactions energy: -76.708 where: short stacking energy: -43.664 Base-Backbone interact. energy: 0.346 local terms energy: -59.338970 where: bonds (distance) C4'-P energy: -12.409 bonds (distance) P-C4' energy: -14.807 flat angles C4'-P-C4' energy: -10.883 flat angles P-C4'-P energy: -7.994 tors. eta vs tors. theta energy: -13.246 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: 4 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -127.648875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.648875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.648875 (E_RNA) where: Base-Base interactions energy: -73.667 where: short stacking energy: -42.582 Base-Backbone interact. energy: -0.056 local terms energy: -53.926097 where: bonds (distance) C4'-P energy: -12.930 bonds (distance) P-C4' energy: -11.641 flat angles C4'-P-C4' energy: -13.990 flat angles P-C4'-P energy: -4.249 tors. eta vs tors. theta energy: -11.116 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: 6, replica: 7 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -90.046009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.046009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.046009 (E_RNA) where: Base-Base interactions energy: -42.390 where: short stacking energy: -42.390 Base-Backbone interact. energy: -0.012 local terms energy: -47.643687 where: bonds (distance) C4'-P energy: -12.667 bonds (distance) P-C4' energy: -10.403 flat angles C4'-P-C4' energy: -10.955 flat angles P-C4'-P energy: -7.734 tors. eta vs tors. theta energy: -5.885 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: 1 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -94.124759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.124759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.124759 (E_RNA) where: Base-Base interactions energy: -43.736 where: short stacking energy: -41.453 Base-Backbone interact. energy: 0.844 local terms energy: -51.233255 where: bonds (distance) C4'-P energy: -13.142 bonds (distance) P-C4' energy: -10.173 flat angles C4'-P-C4' energy: -12.685 flat angles P-C4'-P energy: -9.457 tors. eta vs tors. theta energy: -5.777 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: 8, replica: 8 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -86.154999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.154999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.154999 (E_RNA) where: Base-Base interactions energy: -41.551 where: short stacking energy: -35.930 Base-Backbone interact. energy: 0.447 local terms energy: -45.051462 where: bonds (distance) C4'-P energy: -9.330 bonds (distance) P-C4' energy: -10.775 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -7.354 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: 9 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -81.103480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.103480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.103480 (E_RNA) where: Base-Base interactions energy: -34.559 where: short stacking energy: -34.559 Base-Backbone interact. energy: -0.140 local terms energy: -46.404107 where: bonds (distance) C4'-P energy: -10.712 bonds (distance) P-C4' energy: -12.004 flat angles C4'-P-C4' energy: -11.479 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -5.677 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: 6 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -70.064088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.064088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.064088 (E_RNA) where: Base-Base interactions energy: -35.419 where: short stacking energy: -27.361 Base-Backbone interact. energy: -0.413 local terms energy: -34.231618 where: bonds (distance) C4'-P energy: -3.831 bonds (distance) P-C4' energy: -9.672 flat angles C4'-P-C4' energy: -11.346 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -3.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -170.766780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.766780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.766780 (E_RNA) where: Base-Base interactions energy: -106.100 where: short stacking energy: -56.740 Base-Backbone interact. energy: -0.004 local terms energy: -64.662862 where: bonds (distance) C4'-P energy: -11.086 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -14.312 flat angles P-C4'-P energy: -8.958 tors. eta vs tors. theta energy: -14.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -144.369481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.369481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.369481 (E_RNA) where: Base-Base interactions energy: -83.553 where: short stacking energy: -49.833 Base-Backbone interact. energy: -0.240 local terms energy: -60.576279 where: bonds (distance) C4'-P energy: -14.495 bonds (distance) P-C4' energy: -16.042 flat angles C4'-P-C4' energy: -10.550 flat angles P-C4'-P energy: -7.727 tors. eta vs tors. theta energy: -11.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -148.605910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.605910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.605910 (E_RNA) where: Base-Base interactions energy: -87.286 where: short stacking energy: -54.197 Base-Backbone interact. energy: -0.006 local terms energy: -61.314192 where: bonds (distance) C4'-P energy: -10.339 bonds (distance) P-C4' energy: -15.209 flat angles C4'-P-C4' energy: -15.728 flat angles P-C4'-P energy: -9.172 tors. eta vs tors. theta energy: -10.867 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: 409 Temperature: 1.050000 Total energy: -132.319817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.319817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.319817 (E_RNA) where: Base-Base interactions energy: -77.573 where: short stacking energy: -49.491 Base-Backbone interact. energy: -0.626 local terms energy: -54.120863 where: bonds (distance) C4'-P energy: -11.784 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -9.150 tors. eta vs tors. theta energy: -10.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -103.307953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.307953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.307953 (E_RNA) where: Base-Base interactions energy: -50.937 where: short stacking energy: -49.032 Base-Backbone interact. energy: -0.096 local terms energy: -52.274891 where: bonds (distance) C4'-P energy: -9.611 bonds (distance) P-C4' energy: -13.970 flat angles C4'-P-C4' energy: -10.851 flat angles P-C4'-P energy: -7.466 tors. eta vs tors. theta energy: -10.378 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: 409 Temperature: 1.150000 Total energy: -87.291050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.291050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.291050 (E_RNA) where: Base-Base interactions energy: -39.864 where: short stacking energy: -37.477 Base-Backbone interact. energy: -0.135 local terms energy: -47.291797 where: bonds (distance) C4'-P energy: -9.665 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -12.391 flat angles P-C4'-P energy: -9.443 tors. eta vs tors. theta energy: -0.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -83.769839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.769839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.769839 (E_RNA) where: Base-Base interactions energy: -36.319 where: short stacking energy: -33.592 Base-Backbone interact. energy: -0.168 local terms energy: -47.282887 where: bonds (distance) C4'-P energy: -8.785 bonds (distance) P-C4' energy: -15.269 flat angles C4'-P-C4' energy: -8.269 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: -6.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -87.135399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.135399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.135399 (E_RNA) where: Base-Base interactions energy: -40.565 where: short stacking energy: -36.080 Base-Backbone interact. energy: -0.010 local terms energy: -46.560457 where: bonds (distance) C4'-P energy: -10.083 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -12.541 flat angles P-C4'-P energy: -6.113 tors. eta vs tors. theta energy: -3.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -73.835648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.835648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.835648 (E_RNA) where: Base-Base interactions energy: -36.657 where: short stacking energy: -20.317 Base-Backbone interact. energy: -0.382 local terms energy: -36.797081 where: bonds (distance) C4'-P energy: -10.210 bonds (distance) P-C4' energy: -11.947 flat angles C4'-P-C4' energy: -9.903 flat angles P-C4'-P energy: -6.657 tors. eta vs tors. theta energy: 1.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -80.983086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.983086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.983086 (E_RNA) where: Base-Base interactions energy: -30.806 where: short stacking energy: -30.806 Base-Backbone interact. energy: -0.059 local terms energy: -50.118077 where: bonds (distance) C4'-P energy: -14.523 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -10.963 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -6.526 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: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -158.239276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.239276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.239276 (E_RNA) where: Base-Base interactions energy: -93.558 where: short stacking energy: -56.735 Base-Backbone interact. energy: -0.002 local terms energy: -64.679480 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -12.692 flat angles P-C4'-P energy: -7.869 tors. eta vs tors. theta energy: -14.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -159.003262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.003262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.003262 (E_RNA) where: Base-Base interactions energy: -93.159 where: short stacking energy: -65.765 Base-Backbone interact. energy: -0.161 local terms energy: -65.683370 where: bonds (distance) C4'-P energy: -12.658 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -15.350 flat angles P-C4'-P energy: -8.701 tors. eta vs tors. theta energy: -16.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -138.410796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.410796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.410796 (E_RNA) where: Base-Base interactions energy: -78.442 where: short stacking energy: -44.364 Base-Backbone interact. energy: -0.049 local terms energy: -59.919255 where: bonds (distance) C4'-P energy: -10.435 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -13.669 flat angles P-C4'-P energy: -10.445 tors. eta vs tors. theta energy: -10.897 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: 3 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -153.001905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.001905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.001905 (E_RNA) where: Base-Base interactions energy: -98.301 where: short stacking energy: -58.062 Base-Backbone interact. energy: -0.575 local terms energy: -54.125597 where: bonds (distance) C4'-P energy: -11.702 bonds (distance) P-C4' energy: -11.749 flat angles C4'-P-C4' energy: -14.338 flat angles P-C4'-P energy: -6.891 tors. eta vs tors. theta energy: -9.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -90.630909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.630909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.630909 (E_RNA) where: Base-Base interactions energy: -41.064 where: short stacking energy: -41.064 Base-Backbone interact. energy: -0.078 local terms energy: -49.489295 where: bonds (distance) C4'-P energy: -11.626 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -10.353 flat angles P-C4'-P energy: -7.732 tors. eta vs tors. theta energy: -6.933 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: 1 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -90.840312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.840312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.840312 (E_RNA) where: Base-Base interactions energy: -43.695 where: short stacking energy: -42.029 Base-Backbone interact. energy: -0.198 local terms energy: -46.947762 where: bonds (distance) C4'-P energy: -10.460 bonds (distance) P-C4' energy: -15.559 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -6.401 tors. eta vs tors. theta energy: -8.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -95.259556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.259556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.259556 (E_RNA) where: Base-Base interactions energy: -41.294 where: short stacking energy: -39.330 Base-Backbone interact. energy: -0.043 local terms energy: -53.921653 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -10.703 flat angles C4'-P-C4' energy: -12.173 flat angles P-C4'-P energy: -9.937 tors. eta vs tors. theta energy: -8.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -75.571906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.571906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.571906 (E_RNA) where: Base-Base interactions energy: -31.330 where: short stacking energy: -26.545 Base-Backbone interact. energy: 2.624 local terms energy: -46.865235 where: bonds (distance) C4'-P energy: -10.069 bonds (distance) P-C4' energy: -14.241 flat angles C4'-P-C4' energy: -15.101 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -1.812 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: 6 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -75.560461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.560461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.560461 (E_RNA) where: Base-Base interactions energy: -38.801 where: short stacking energy: -25.745 Base-Backbone interact. energy: -0.094 local terms energy: -36.665572 where: bonds (distance) C4'-P energy: -6.227 bonds (distance) P-C4' energy: -12.837 flat angles C4'-P-C4' energy: -8.860 flat angles P-C4'-P energy: -5.790 tors. eta vs tors. theta energy: -2.952 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: 8 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -74.225250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.225250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.225250 (E_RNA) where: Base-Base interactions energy: -27.821 where: short stacking energy: -28.321 Base-Backbone interact. energy: -0.041 local terms energy: -46.362809 where: bonds (distance) C4'-P energy: -13.437 bonds (distance) P-C4' energy: -14.479 flat angles C4'-P-C4' energy: -12.524 flat angles P-C4'-P energy: -2.866 tors. eta vs tors. theta energy: -3.058 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: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -166.711316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.711316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.711316 (E_RNA) where: Base-Base interactions energy: -99.338 where: short stacking energy: -63.465 Base-Backbone interact. energy: -0.001 local terms energy: -67.371800 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -15.023 flat angles C4'-P-C4' energy: -12.743 flat angles P-C4'-P energy: -8.500 tors. eta vs tors. theta energy: -17.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -138.962404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.962404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.962404 (E_RNA) where: Base-Base interactions energy: -75.762 where: short stacking energy: -47.142 Base-Backbone interact. energy: -0.040 local terms energy: -63.161090 where: bonds (distance) C4'-P energy: -12.670 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -15.511 flat angles P-C4'-P energy: -8.312 tors. eta vs tors. theta energy: -11.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -160.246265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.246265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.246265 (E_RNA) where: Base-Base interactions energy: -100.054 where: short stacking energy: -60.348 Base-Backbone interact. energy: -0.246 local terms energy: -59.946561 where: bonds (distance) C4'-P energy: -13.350 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -11.179 flat angles P-C4'-P energy: -7.291 tors. eta vs tors. theta energy: -14.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -153.470483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.470483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.470483 (E_RNA) where: Base-Base interactions energy: -88.930 where: short stacking energy: -57.379 Base-Backbone interact. energy: -0.005 local terms energy: -64.535990 where: bonds (distance) C4'-P energy: -14.396 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -12.880 flat angles P-C4'-P energy: -10.693 tors. eta vs tors. theta energy: -13.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -131.645424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.645424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.645424 (E_RNA) where: Base-Base interactions energy: -76.600 where: short stacking energy: -52.885 Base-Backbone interact. energy: -0.240 local terms energy: -54.805081 where: bonds (distance) C4'-P energy: -10.314 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -11.883 flat angles P-C4'-P energy: -8.455 tors. eta vs tors. theta energy: -8.708 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: 7 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -99.977791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.977791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.977791 (E_RNA) where: Base-Base interactions energy: -44.648 where: short stacking energy: -41.926 Base-Backbone interact. energy: -0.331 local terms energy: -54.999185 where: bonds (distance) C4'-P energy: -10.831 bonds (distance) P-C4' energy: -11.243 flat angles C4'-P-C4' energy: -11.700 flat angles P-C4'-P energy: -9.089 tors. eta vs tors. theta energy: -12.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -94.250492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.250492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.250492 (E_RNA) where: Base-Base interactions energy: -41.665 where: short stacking energy: -41.665 Base-Backbone interact. energy: -0.014 local terms energy: -52.571677 where: bonds (distance) C4'-P energy: -12.903 bonds (distance) P-C4' energy: -13.069 flat angles C4'-P-C4' energy: -10.199 flat angles P-C4'-P energy: -9.621 tors. eta vs tors. theta energy: -6.780 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: 6 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -81.000391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.000391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.000391 (E_RNA) where: Base-Base interactions energy: -40.328 where: short stacking energy: -40.328 Base-Backbone interact. energy: -0.109 local terms energy: -40.562662 where: bonds (distance) C4'-P energy: -11.126 bonds (distance) P-C4' energy: -16.261 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -2.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -76.926093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.926093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.926093 (E_RNA) where: Base-Base interactions energy: -32.683 where: short stacking energy: -29.362 Base-Backbone interact. energy: -0.331 local terms energy: -43.912344 where: bonds (distance) C4'-P energy: -12.371 bonds (distance) P-C4' energy: -12.306 flat angles C4'-P-C4' energy: -14.014 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -2.151 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: 8 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -71.455043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.455043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.455043 (E_RNA) where: Base-Base interactions energy: -27.417 where: short stacking energy: -26.281 Base-Backbone interact. energy: -0.217 local terms energy: -43.821598 where: bonds (distance) C4'-P energy: -12.886 bonds (distance) P-C4' energy: -10.989 flat angles C4'-P-C4' energy: -9.300 flat angles P-C4'-P energy: -5.914 tors. eta vs tors. theta energy: -4.734 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: 412 Temperature: 0.900000 Total energy: -162.097285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.097285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.097285 (E_RNA) where: Base-Base interactions energy: -97.307 where: short stacking energy: -65.149 Base-Backbone interact. energy: -0.006 local terms energy: -64.784060 where: bonds (distance) C4'-P energy: -9.303 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -13.032 flat angles P-C4'-P energy: -10.882 tors. eta vs tors. theta energy: -17.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -151.480212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.480212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.480212 (E_RNA) where: Base-Base interactions energy: -88.478 where: short stacking energy: -54.768 Base-Backbone interact. energy: -0.004 local terms energy: -62.998802 where: bonds (distance) C4'-P energy: -13.644 bonds (distance) P-C4' energy: -10.882 flat angles C4'-P-C4' energy: -13.074 flat angles P-C4'-P energy: -8.558 tors. eta vs tors. theta energy: -16.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -159.388804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.388804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.388804 (E_RNA) where: Base-Base interactions energy: -99.679 where: short stacking energy: -57.189 Base-Backbone interact. energy: -0.008 local terms energy: -59.701965 where: bonds (distance) C4'-P energy: -10.986 bonds (distance) P-C4' energy: -12.315 flat angles C4'-P-C4' energy: -13.495 flat angles P-C4'-P energy: -8.215 tors. eta vs tors. theta energy: -14.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -149.457094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.457094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.457094 (E_RNA) where: Base-Base interactions energy: -89.623 where: short stacking energy: -57.774 Base-Backbone interact. energy: -0.002 local terms energy: -59.831560 where: bonds (distance) C4'-P energy: -11.138 bonds (distance) P-C4' energy: -12.882 flat angles C4'-P-C4' energy: -11.485 flat angles P-C4'-P energy: -9.230 tors. eta vs tors. theta energy: -15.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -122.881146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.881146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.881146 (E_RNA) where: Base-Base interactions energy: -74.622 where: short stacking energy: -39.558 Base-Backbone interact. energy: -0.322 local terms energy: -47.937309 where: bonds (distance) C4'-P energy: -11.817 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -10.422 flat angles P-C4'-P energy: -10.365 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -124.110560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.110560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.110560 (E_RNA) where: Base-Base interactions energy: -70.021 where: short stacking energy: -39.669 Base-Backbone interact. energy: 0.829 local terms energy: -54.918137 where: bonds (distance) C4'-P energy: -13.383 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -8.970 tors. eta vs tors. theta energy: -11.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -87.848286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.848286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.848286 (E_RNA) where: Base-Base interactions energy: -46.966 where: short stacking energy: -39.164 Base-Backbone interact. energy: -0.006 local terms energy: -40.876150 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -12.354 flat angles C4'-P-C4' energy: -11.677 flat angles P-C4'-P energy: -7.879 tors. eta vs tors. theta energy: -1.395 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: 1 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -73.522794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.522794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.522794 (E_RNA) where: Base-Base interactions energy: -27.577 where: short stacking energy: -27.577 Base-Backbone interact. energy: -0.142 local terms energy: -45.803744 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -14.868 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -2.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -79.050976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.050976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.050976 (E_RNA) where: Base-Base interactions energy: -33.901 where: short stacking energy: -28.629 Base-Backbone interact. energy: -0.082 local terms energy: -45.067567 where: bonds (distance) C4'-P energy: -5.994 bonds (distance) P-C4' energy: -10.949 flat angles C4'-P-C4' energy: -14.054 flat angles P-C4'-P energy: -7.895 tors. eta vs tors. theta energy: -6.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -70.443682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.443682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.443682 (E_RNA) where: Base-Base interactions energy: -26.150 where: short stacking energy: -24.482 Base-Backbone interact. energy: -0.203 local terms energy: -44.090280 where: bonds (distance) C4'-P energy: -10.638 bonds (distance) P-C4' energy: -12.897 flat angles C4'-P-C4' energy: -12.882 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: 0.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -155.188537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.188537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.188537 (E_RNA) where: Base-Base interactions energy: -95.218 where: short stacking energy: -58.842 Base-Backbone interact. energy: 0.403 local terms energy: -60.373370 where: bonds (distance) C4'-P energy: -12.462 bonds (distance) P-C4' energy: -13.424 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -11.040 tors. eta vs tors. theta energy: -10.730 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: 2, replica: 3 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -160.310571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.310571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.310571 (E_RNA) where: Base-Base interactions energy: -96.922 where: short stacking energy: -63.497 Base-Backbone interact. energy: -0.059 local terms energy: -63.329943 where: bonds (distance) C4'-P energy: -10.861 bonds (distance) P-C4' energy: -14.188 flat angles C4'-P-C4' energy: -15.158 flat angles P-C4'-P energy: -9.483 tors. eta vs tors. theta energy: -13.640 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: 5 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -147.937945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.937945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.937945 (E_RNA) where: Base-Base interactions energy: -90.789 where: short stacking energy: -49.179 Base-Backbone interact. energy: -0.857 local terms energy: -56.291897 where: bonds (distance) C4'-P energy: -10.732 bonds (distance) P-C4' energy: -11.330 flat angles C4'-P-C4' energy: -13.169 flat angles P-C4'-P energy: -6.136 tors. eta vs tors. theta energy: -14.925 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: 2 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -139.072622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.072622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.072622 (E_RNA) where: Base-Base interactions energy: -84.563 where: short stacking energy: -50.665 Base-Backbone interact. energy: -0.151 local terms energy: -54.358195 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -14.372 flat angles C4'-P-C4' energy: -7.696 flat angles P-C4'-P energy: -8.734 tors. eta vs tors. theta energy: -10.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -140.642854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.642854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.642854 (E_RNA) where: Base-Base interactions energy: -85.584 where: short stacking energy: -54.218 Base-Backbone interact. energy: -0.554 local terms energy: -54.504605 where: bonds (distance) C4'-P energy: -9.764 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -10.858 flat angles P-C4'-P energy: -8.510 tors. eta vs tors. theta energy: -12.756 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: 413 Temperature: 1.150000 Total energy: -105.497089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.497089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.497089 (E_RNA) where: Base-Base interactions energy: -57.450 where: short stacking energy: -42.805 Base-Backbone interact. energy: -0.109 local terms energy: -47.938624 where: bonds (distance) C4'-P energy: -7.977 bonds (distance) P-C4' energy: -14.793 flat angles C4'-P-C4' energy: -14.242 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -7.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -94.577894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.577894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.577894 (E_RNA) where: Base-Base interactions energy: -44.367 where: short stacking energy: -39.800 Base-Backbone interact. energy: -0.922 local terms energy: -49.289011 where: bonds (distance) C4'-P energy: -9.884 bonds (distance) P-C4' energy: -11.165 flat angles C4'-P-C4' energy: -10.882 flat angles P-C4'-P energy: -10.550 tors. eta vs tors. theta energy: -6.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -77.205692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.205692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.205692 (E_RNA) where: Base-Base interactions energy: -32.764 where: short stacking energy: -32.764 Base-Backbone interact. energy: -0.068 local terms energy: -44.374169 where: bonds (distance) C4'-P energy: -9.906 bonds (distance) P-C4' energy: -14.568 flat angles C4'-P-C4' energy: -10.226 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -3.413 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: 1 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -78.267677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.267677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.267677 (E_RNA) where: Base-Base interactions energy: -31.449 where: short stacking energy: -31.449 Base-Backbone interact. energy: -0.038 local terms energy: -46.780228 where: bonds (distance) C4'-P energy: -12.170 bonds (distance) P-C4' energy: -11.198 flat angles C4'-P-C4' energy: -10.110 flat angles P-C4'-P energy: -8.493 tors. eta vs tors. theta energy: -4.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -78.037143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.037143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.037143 (E_RNA) where: Base-Base interactions energy: -42.433 where: short stacking energy: -36.271 Base-Backbone interact. energy: -0.339 local terms energy: -35.265750 where: bonds (distance) C4'-P energy: -7.843 bonds (distance) P-C4' energy: -10.925 flat angles C4'-P-C4' energy: -8.908 flat angles P-C4'-P energy: -2.584 tors. eta vs tors. theta energy: -5.006 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: 414 Temperature: 0.900000 Total energy: -155.545665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.545665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.545665 (E_RNA) where: Base-Base interactions energy: -89.662 where: short stacking energy: -56.852 Base-Backbone interact. energy: -0.010 local terms energy: -65.873700 where: bonds (distance) C4'-P energy: -14.467 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -13.707 flat angles P-C4'-P energy: -8.985 tors. eta vs tors. theta energy: -14.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -157.904049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.904049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.904049 (E_RNA) where: Base-Base interactions energy: -93.076 where: short stacking energy: -61.665 Base-Backbone interact. energy: -0.002 local terms energy: -64.826518 where: bonds (distance) C4'-P energy: -10.985 bonds (distance) P-C4' energy: -12.040 flat angles C4'-P-C4' energy: -15.317 flat angles P-C4'-P energy: -11.526 tors. eta vs tors. theta energy: -14.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -147.717787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.717787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.717787 (E_RNA) where: Base-Base interactions energy: -87.706 where: short stacking energy: -56.059 Base-Backbone interact. energy: -0.659 local terms energy: -59.352657 where: bonds (distance) C4'-P energy: -12.135 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -11.075 flat angles P-C4'-P energy: -9.491 tors. eta vs tors. theta energy: -13.812 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: 5 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -157.077872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.077872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.077872 (E_RNA) where: Base-Base interactions energy: -96.315 where: short stacking energy: -50.525 Base-Backbone interact. energy: -0.004 local terms energy: -60.759009 where: bonds (distance) C4'-P energy: -13.121 bonds (distance) P-C4' energy: -13.466 flat angles C4'-P-C4' energy: -10.335 flat angles P-C4'-P energy: -5.947 tors. eta vs tors. theta energy: -17.890 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: 6 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -135.831214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.831214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.831214 (E_RNA) where: Base-Base interactions energy: -76.303 where: short stacking energy: -49.950 Base-Backbone interact. energy: -0.535 local terms energy: -58.993588 where: bonds (distance) C4'-P energy: -12.272 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -14.267 flat angles P-C4'-P energy: -4.787 tors. eta vs tors. theta energy: -12.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -116.840151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.840151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.840151 (E_RNA) where: Base-Base interactions energy: -63.677 where: short stacking energy: -36.884 Base-Backbone interact. energy: -0.007 local terms energy: -53.156087 where: bonds (distance) C4'-P energy: -13.056 bonds (distance) P-C4' energy: -12.590 flat angles C4'-P-C4' energy: -10.685 flat angles P-C4'-P energy: -10.625 tors. eta vs tors. theta energy: -6.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -83.637544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.637544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.637544 (E_RNA) where: Base-Base interactions energy: -32.371 where: short stacking energy: -31.048 Base-Backbone interact. energy: -0.003 local terms energy: -51.263929 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -12.247 flat angles P-C4'-P energy: -7.177 tors. eta vs tors. theta energy: -5.204 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: 7 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -78.681611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.681611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.681611 (E_RNA) where: Base-Base interactions energy: -37.253 where: short stacking energy: -20.548 Base-Backbone interact. energy: -1.516 local terms energy: -39.912773 where: bonds (distance) C4'-P energy: -12.119 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -10.007 flat angles P-C4'-P energy: -7.873 tors. eta vs tors. theta energy: 3.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -82.055525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.055525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.055525 (E_RNA) where: Base-Base interactions energy: -31.005 where: short stacking energy: -29.403 Base-Backbone interact. energy: -0.314 local terms energy: -50.735878 where: bonds (distance) C4'-P energy: -12.636 bonds (distance) P-C4' energy: -11.747 flat angles C4'-P-C4' energy: -12.616 flat angles P-C4'-P energy: -9.374 tors. eta vs tors. theta energy: -4.362 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: 9 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -82.741246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.741246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.741246 (E_RNA) where: Base-Base interactions energy: -37.377 where: short stacking energy: -34.900 Base-Backbone interact. energy: -0.004 local terms energy: -45.360778 where: bonds (distance) C4'-P energy: -12.608 bonds (distance) P-C4' energy: -10.841 flat angles C4'-P-C4' energy: -9.758 flat angles P-C4'-P energy: -11.182 tors. eta vs tors. theta energy: -0.972 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: 1, replica: 10 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -148.831304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.831304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.831304 (E_RNA) where: Base-Base interactions energy: -88.406 where: short stacking energy: -56.020 Base-Backbone interact. energy: -0.418 local terms energy: -60.007491 where: bonds (distance) C4'-P energy: -12.389 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -12.165 flat angles P-C4'-P energy: -9.633 tors. eta vs tors. theta energy: -11.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -151.224562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.224562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.224562 (E_RNA) where: Base-Base interactions energy: -94.112 where: short stacking energy: -59.986 Base-Backbone interact. energy: -0.172 local terms energy: -56.940907 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -12.409 flat angles C4'-P-C4' energy: -12.555 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: -13.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -151.327847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.327847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.327847 (E_RNA) where: Base-Base interactions energy: -85.111 where: short stacking energy: -53.481 Base-Backbone interact. energy: -0.040 local terms energy: -66.177700 where: bonds (distance) C4'-P energy: -12.715 bonds (distance) P-C4' energy: -15.452 flat angles C4'-P-C4' energy: -15.332 flat angles P-C4'-P energy: -7.898 tors. eta vs tors. theta energy: -14.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -144.053342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.053342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.053342 (E_RNA) where: Base-Base interactions energy: -84.066 where: short stacking energy: -51.612 Base-Backbone interact. energy: 0.313 local terms energy: -60.300569 where: bonds (distance) C4'-P energy: -10.944 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -14.410 flat angles P-C4'-P energy: -5.299 tors. eta vs tors. theta energy: -15.468 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: 6 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -132.514840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.514840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.514840 (E_RNA) where: Base-Base interactions energy: -74.903 where: short stacking energy: -46.012 Base-Backbone interact. energy: -0.469 local terms energy: -57.143539 where: bonds (distance) C4'-P energy: -12.000 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -13.626 flat angles P-C4'-P energy: -7.998 tors. eta vs tors. theta energy: -10.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -135.554485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.554485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.554485 (E_RNA) where: Base-Base interactions energy: -74.802 where: short stacking energy: -47.350 Base-Backbone interact. energy: -0.013 local terms energy: -60.739478 where: bonds (distance) C4'-P energy: -12.530 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -13.793 flat angles P-C4'-P energy: -8.321 tors. eta vs tors. theta energy: -13.959 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: 415 Temperature: 1.200000 Total energy: -82.315888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.315888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.315888 (E_RNA) where: Base-Base interactions energy: -38.452 where: short stacking energy: -38.452 Base-Backbone interact. energy: -0.070 local terms energy: -43.793937 where: bonds (distance) C4'-P energy: -5.860 bonds (distance) P-C4' energy: -9.789 flat angles C4'-P-C4' energy: -12.631 flat angles P-C4'-P energy: -8.991 tors. eta vs tors. theta energy: -6.523 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: 8, replica: 1 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -87.972682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.972682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.972682 (E_RNA) where: Base-Base interactions energy: -39.122 where: short stacking energy: -28.106 Base-Backbone interact. energy: 0.731 local terms energy: -49.582088 where: bonds (distance) C4'-P energy: -10.485 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -10.412 flat angles P-C4'-P energy: -9.523 tors. eta vs tors. theta energy: -5.419 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: 415 Temperature: 1.300000 Total energy: -82.626322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.626322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.626322 (E_RNA) where: Base-Base interactions energy: -34.017 where: short stacking energy: -33.172 Base-Backbone interact. energy: 0.604 local terms energy: -49.213698 where: bonds (distance) C4'-P energy: -12.873 bonds (distance) P-C4' energy: -10.042 flat angles C4'-P-C4' energy: -10.710 flat angles P-C4'-P energy: -6.801 tors. eta vs tors. theta energy: -8.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -69.068587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.068587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.068587 (E_RNA) where: Base-Base interactions energy: -28.904 where: short stacking energy: -23.751 Base-Backbone interact. energy: -0.236 local terms energy: -39.928540 where: bonds (distance) C4'-P energy: -11.444 bonds (distance) P-C4' energy: -10.251 flat angles C4'-P-C4' energy: -11.516 flat angles P-C4'-P energy: -7.099 tors. eta vs tors. theta energy: 0.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -165.708788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.708788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.708788 (E_RNA) where: Base-Base interactions energy: -101.299 where: short stacking energy: -64.061 Base-Backbone interact. energy: -0.002 local terms energy: -64.407557 where: bonds (distance) C4'-P energy: -12.814 bonds (distance) P-C4' energy: -14.560 flat angles C4'-P-C4' energy: -12.311 flat angles P-C4'-P energy: -7.894 tors. eta vs tors. theta energy: -16.829 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: 10 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -152.664929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.664929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.664929 (E_RNA) where: Base-Base interactions energy: -92.235 where: short stacking energy: -55.820 Base-Backbone interact. energy: -0.751 local terms energy: -59.679239 where: bonds (distance) C4'-P energy: -15.204 bonds (distance) P-C4' energy: -12.317 flat angles C4'-P-C4' energy: -14.506 flat angles P-C4'-P energy: -7.203 tors. eta vs tors. theta energy: -10.449 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: 416 Temperature: 1.000000 Total energy: -144.540423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.540423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.540423 (E_RNA) where: Base-Base interactions energy: -86.047 where: short stacking energy: -53.476 Base-Backbone interact. energy: -0.848 local terms energy: -57.645868 where: bonds (distance) C4'-P energy: -10.949 bonds (distance) P-C4' energy: -14.434 flat angles C4'-P-C4' energy: -11.980 flat angles P-C4'-P energy: -7.777 tors. eta vs tors. theta energy: -12.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -131.925220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.925220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.925220 (E_RNA) where: Base-Base interactions energy: -73.024 where: short stacking energy: -47.339 Base-Backbone interact. energy: -0.472 local terms energy: -58.429510 where: bonds (distance) C4'-P energy: -11.366 bonds (distance) P-C4' energy: -14.137 flat angles C4'-P-C4' energy: -13.955 flat angles P-C4'-P energy: -8.352 tors. eta vs tors. theta energy: -10.619 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: 5, replica: 4 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -135.849345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.849345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.849345 (E_RNA) where: Base-Base interactions energy: -80.634 where: short stacking energy: -47.434 Base-Backbone interact. energy: -0.088 local terms energy: -55.127533 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -10.391 flat angles C4'-P-C4' energy: -14.677 flat angles P-C4'-P energy: -7.876 tors. eta vs tors. theta energy: -9.782 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: 6, replica: 6 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -124.920607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.920607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.920607 (E_RNA) where: Base-Base interactions energy: -80.597 where: short stacking energy: -44.914 Base-Backbone interact. energy: -0.241 local terms energy: -44.082223 where: bonds (distance) C4'-P energy: -11.619 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -10.311 flat angles P-C4'-P energy: -8.744 tors. eta vs tors. theta energy: -6.146 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: 7, replica: 1 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -100.916486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.916486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.916486 (E_RNA) where: Base-Base interactions energy: -52.403 where: short stacking energy: -39.038 Base-Backbone interact. energy: -0.249 local terms energy: -48.264519 where: bonds (distance) C4'-P energy: -14.169 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -13.349 flat angles P-C4'-P energy: -2.377 tors. eta vs tors. theta energy: -4.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -75.853013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.853013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.853013 (E_RNA) where: Base-Base interactions energy: -23.174 where: short stacking energy: -23.174 Base-Backbone interact. energy: -0.162 local terms energy: -52.517682 where: bonds (distance) C4'-P energy: -12.505 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -14.128 flat angles P-C4'-P energy: -6.597 tors. eta vs tors. theta energy: -4.216 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: 9, replica: 9 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -77.293389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.293389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.293389 (E_RNA) where: Base-Base interactions energy: -38.220 where: short stacking energy: -26.618 Base-Backbone interact. energy: -0.211 local terms energy: -38.862733 where: bonds (distance) C4'-P energy: -15.303 bonds (distance) P-C4' energy: -9.900 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -5.561 tors. eta vs tors. theta energy: -1.211 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: 7 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -80.413143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.413143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.413143 (E_RNA) where: Base-Base interactions energy: -39.365 where: short stacking energy: -39.365 Base-Backbone interact. energy: -0.079 local terms energy: -40.969386 where: bonds (distance) C4'-P energy: -12.505 bonds (distance) P-C4' energy: -5.961 flat angles C4'-P-C4' energy: -10.530 flat angles P-C4'-P energy: -7.341 tors. eta vs tors. theta energy: -4.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -153.797985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.797985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.797985 (E_RNA) where: Base-Base interactions energy: -90.055 where: short stacking energy: -62.912 Base-Backbone interact. energy: -0.003 local terms energy: -63.740305 where: bonds (distance) C4'-P energy: -12.533 bonds (distance) P-C4' energy: -11.110 flat angles C4'-P-C4' energy: -15.918 flat angles P-C4'-P energy: -11.401 tors. eta vs tors. theta energy: -12.779 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: 5 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -159.437613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.437613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.437613 (E_RNA) where: Base-Base interactions energy: -95.972 where: short stacking energy: -51.664 Base-Backbone interact. energy: 0.344 local terms energy: -63.809425 where: bonds (distance) C4'-P energy: -15.650 bonds (distance) P-C4' energy: -10.048 flat angles C4'-P-C4' energy: -14.947 flat angles P-C4'-P energy: -9.313 tors. eta vs tors. theta energy: -13.851 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: 10 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -148.169350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.169350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.169350 (E_RNA) where: Base-Base interactions energy: -91.650 where: short stacking energy: -58.014 Base-Backbone interact. energy: -0.003 local terms energy: -56.516369 where: bonds (distance) C4'-P energy: -12.691 bonds (distance) P-C4' energy: -10.521 flat angles C4'-P-C4' energy: -12.658 flat angles P-C4'-P energy: -6.745 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: 4, replica: 4 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -132.882448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.882448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.882448 (E_RNA) where: Base-Base interactions energy: -81.025 where: short stacking energy: -48.493 Base-Backbone interact. energy: -0.069 local terms energy: -51.788337 where: bonds (distance) C4'-P energy: -7.888 bonds (distance) P-C4' energy: -13.086 flat angles C4'-P-C4' energy: -13.777 flat angles P-C4'-P energy: -7.505 tors. eta vs tors. theta energy: -9.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -115.740666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.740666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.740666 (E_RNA) where: Base-Base interactions energy: -71.474 where: short stacking energy: -38.035 Base-Backbone interact. energy: -0.024 local terms energy: -44.241948 where: bonds (distance) C4'-P energy: -11.399 bonds (distance) P-C4' energy: -11.133 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -4.681 tors. eta vs tors. theta energy: -8.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -128.503781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.503781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.503781 (E_RNA) where: Base-Base interactions energy: -67.865 where: short stacking energy: -39.568 Base-Backbone interact. energy: -0.539 local terms energy: -60.099718 where: bonds (distance) C4'-P energy: -14.629 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -14.449 flat angles P-C4'-P energy: -11.670 tors. eta vs tors. theta energy: -6.951 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: 1 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -90.523688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.523688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.523688 (E_RNA) where: Base-Base interactions energy: -37.442 where: short stacking energy: -36.000 Base-Backbone interact. energy: -0.196 local terms energy: -52.885470 where: bonds (distance) C4'-P energy: -8.472 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -12.565 flat angles P-C4'-P energy: -9.842 tors. eta vs tors. theta energy: -8.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -89.717583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.717583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.717583 (E_RNA) where: Base-Base interactions energy: -43.645 where: short stacking energy: -28.007 Base-Backbone interact. energy: -0.019 local terms energy: -46.054477 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -14.453 flat angles C4'-P-C4' energy: -10.996 flat angles P-C4'-P energy: -8.427 tors. eta vs tors. theta energy: -0.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -83.779932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.779932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.779932 (E_RNA) where: Base-Base interactions energy: -49.670 where: short stacking energy: -34.363 Base-Backbone interact. energy: -0.212 local terms energy: -33.897859 where: bonds (distance) C4'-P energy: -6.071 bonds (distance) P-C4' energy: -9.652 flat angles C4'-P-C4' energy: -13.489 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: -0.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -72.755186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.755186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.755186 (E_RNA) where: Base-Base interactions energy: -31.120 where: short stacking energy: -31.120 Base-Backbone interact. energy: -0.010 local terms energy: -41.625822 where: bonds (distance) C4'-P energy: -6.079 bonds (distance) P-C4' energy: -11.495 flat angles C4'-P-C4' energy: -12.669 flat angles P-C4'-P energy: -8.508 tors. eta vs tors. theta energy: -2.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -161.171614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.171614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.171614 (E_RNA) where: Base-Base interactions energy: -98.597 where: short stacking energy: -55.973 Base-Backbone interact. energy: -0.760 local terms energy: -61.813852 where: bonds (distance) C4'-P energy: -10.908 bonds (distance) P-C4' energy: -14.716 flat angles C4'-P-C4' energy: -14.707 flat angles P-C4'-P energy: -10.488 tors. eta vs tors. theta energy: -10.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -149.814381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.814381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.814381 (E_RNA) where: Base-Base interactions energy: -88.987 where: short stacking energy: -60.603 Base-Backbone interact. energy: 1.510 local terms energy: -62.336870 where: bonds (distance) C4'-P energy: -12.364 bonds (distance) P-C4' energy: -13.126 flat angles C4'-P-C4' energy: -13.277 flat angles P-C4'-P energy: -12.358 tors. eta vs tors. theta energy: -11.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -140.632201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.632201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.632201 (E_RNA) where: Base-Base interactions energy: -83.454 where: short stacking energy: -50.948 Base-Backbone interact. energy: -0.319 local terms energy: -56.859642 where: bonds (distance) C4'-P energy: -15.001 bonds (distance) P-C4' energy: -12.408 flat angles C4'-P-C4' energy: -12.936 flat angles P-C4'-P energy: -6.250 tors. eta vs tors. theta energy: -10.265 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: 10 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -136.873789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.873789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.873789 (E_RNA) where: Base-Base interactions energy: -79.832 where: short stacking energy: -40.880 Base-Backbone interact. energy: -0.555 local terms energy: -56.486879 where: bonds (distance) C4'-P energy: -14.926 bonds (distance) P-C4' energy: -10.162 flat angles C4'-P-C4' energy: -11.177 flat angles P-C4'-P energy: -9.745 tors. eta vs tors. theta energy: -10.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -131.849685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.849685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.849685 (E_RNA) where: Base-Base interactions energy: -75.260 where: short stacking energy: -42.592 Base-Backbone interact. energy: -0.042 local terms energy: -56.547898 where: bonds (distance) C4'-P energy: -12.455 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -8.066 flat angles P-C4'-P energy: -7.851 tors. eta vs tors. theta energy: -12.889 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: 3 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -116.329676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.329676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.329676 (E_RNA) where: Base-Base interactions energy: -59.453 where: short stacking energy: -32.741 Base-Backbone interact. energy: -0.038 local terms energy: -56.839055 where: bonds (distance) C4'-P energy: -10.956 bonds (distance) P-C4' energy: -13.736 flat angles C4'-P-C4' energy: -13.243 flat angles P-C4'-P energy: -12.624 tors. eta vs tors. theta energy: -6.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -94.784600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.784600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.784600 (E_RNA) where: Base-Base interactions energy: -43.847 where: short stacking energy: -39.881 Base-Backbone interact. energy: -0.050 local terms energy: -50.887790 where: bonds (distance) C4'-P energy: -10.463 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -12.732 flat angles P-C4'-P energy: -7.599 tors. eta vs tors. theta energy: -7.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -84.151056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.151056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.151056 (E_RNA) where: Base-Base interactions energy: -37.201 where: short stacking energy: -36.388 Base-Backbone interact. energy: -0.251 local terms energy: -46.698374 where: bonds (distance) C4'-P energy: -6.268 bonds (distance) P-C4' energy: -11.578 flat angles C4'-P-C4' energy: -14.225 flat angles P-C4'-P energy: -8.485 tors. eta vs tors. theta energy: -6.142 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: 7 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -84.788281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.788281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.788281 (E_RNA) where: Base-Base interactions energy: -29.626 where: short stacking energy: -29.626 Base-Backbone interact. energy: -0.493 local terms energy: -54.669180 where: bonds (distance) C4'-P energy: -14.174 bonds (distance) P-C4' energy: -10.060 flat angles C4'-P-C4' energy: -10.617 flat angles P-C4'-P energy: -9.088 tors. eta vs tors. theta energy: -10.730 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: 8 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -79.566964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.566964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.566964 (E_RNA) where: Base-Base interactions energy: -33.538 where: short stacking energy: -30.010 Base-Backbone interact. energy: 0.004 local terms energy: -46.032543 where: bonds (distance) C4'-P energy: -13.059 bonds (distance) P-C4' energy: -13.207 flat angles C4'-P-C4' energy: -9.344 flat angles P-C4'-P energy: -10.387 tors. eta vs tors. theta energy: -0.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -156.959043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.959043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.959043 (E_RNA) where: Base-Base interactions energy: -97.015 where: short stacking energy: -58.725 Base-Backbone interact. energy: 0.270 local terms energy: -60.214142 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -11.988 flat angles C4'-P-C4' energy: -15.455 flat angles P-C4'-P energy: -10.947 tors. eta vs tors. theta energy: -11.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -141.905852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.905852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.905852 (E_RNA) where: Base-Base interactions energy: -81.658 where: short stacking energy: -51.617 Base-Backbone interact. energy: -0.721 local terms energy: -59.527104 where: bonds (distance) C4'-P energy: -13.365 bonds (distance) P-C4' energy: -12.912 flat angles C4'-P-C4' energy: -13.163 flat angles P-C4'-P energy: -8.329 tors. eta vs tors. theta energy: -11.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -150.997029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.997029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.997029 (E_RNA) where: Base-Base interactions energy: -90.493 where: short stacking energy: -58.105 Base-Backbone interact. energy: -0.001 local terms energy: -60.503345 where: bonds (distance) C4'-P energy: -11.726 bonds (distance) P-C4' energy: -15.452 flat angles C4'-P-C4' energy: -12.713 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -14.442 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: 6 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -140.885315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.885315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.885315 (E_RNA) where: Base-Base interactions energy: -85.942 where: short stacking energy: -52.352 Base-Backbone interact. energy: -0.011 local terms energy: -54.932209 where: bonds (distance) C4'-P energy: -12.418 bonds (distance) P-C4' energy: -13.421 flat angles C4'-P-C4' energy: -13.240 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -9.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -136.042225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.042225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.042225 (E_RNA) where: Base-Base interactions energy: -80.206 where: short stacking energy: -51.338 Base-Backbone interact. energy: -0.268 local terms energy: -55.567723 where: bonds (distance) C4'-P energy: -12.343 bonds (distance) P-C4' energy: -12.775 flat angles C4'-P-C4' energy: -12.530 flat angles P-C4'-P energy: -7.178 tors. eta vs tors. theta energy: -10.742 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: 3 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -91.660074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.660074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.660074 (E_RNA) where: Base-Base interactions energy: -38.028 where: short stacking energy: -38.028 Base-Backbone interact. energy: -0.653 local terms energy: -52.978989 where: bonds (distance) C4'-P energy: -12.472 bonds (distance) P-C4' energy: -12.660 flat angles C4'-P-C4' energy: -10.464 flat angles P-C4'-P energy: -8.995 tors. eta vs tors. theta energy: -8.388 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: 419 Temperature: 1.200000 Total energy: -92.955533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.955533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.955533 (E_RNA) where: Base-Base interactions energy: -43.407 where: short stacking energy: -38.567 Base-Backbone interact. energy: -0.131 local terms energy: -49.417281 where: bonds (distance) C4'-P energy: -9.664 bonds (distance) P-C4' energy: -14.477 flat angles C4'-P-C4' energy: -13.304 flat angles P-C4'-P energy: -6.634 tors. eta vs tors. theta energy: -5.338 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: 8, replica: 7 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -86.338823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.338823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.338823 (E_RNA) where: Base-Base interactions energy: -41.467 where: short stacking energy: -30.102 Base-Backbone interact. energy: -0.082 local terms energy: -44.790032 where: bonds (distance) C4'-P energy: -10.471 bonds (distance) P-C4' energy: -11.821 flat angles C4'-P-C4' energy: -9.179 flat angles P-C4'-P energy: -2.755 tors. eta vs tors. theta energy: -10.564 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: 1 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -81.764589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.764589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.764589 (E_RNA) where: Base-Base interactions energy: -51.036 where: short stacking energy: -30.212 Base-Backbone interact. energy: -0.183 local terms energy: -30.546309 where: bonds (distance) C4'-P energy: -8.207 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -10.778 flat angles P-C4'-P energy: -6.902 tors. eta vs tors. theta energy: 4.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -73.270449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.270449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.270449 (E_RNA) where: Base-Base interactions energy: -30.508 where: short stacking energy: -30.261 Base-Backbone interact. energy: -0.109 local terms energy: -42.653453 where: bonds (distance) C4'-P energy: -11.652 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -8.912 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -3.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -152.106343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.106343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.106343 (E_RNA) where: Base-Base interactions energy: -93.651 where: short stacking energy: -58.613 Base-Backbone interact. energy: -0.056 local terms energy: -58.399373 where: bonds (distance) C4'-P energy: -12.756 bonds (distance) P-C4' energy: -15.706 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -8.883 tors. eta vs tors. theta energy: -14.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -162.619035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.619035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.619035 (E_RNA) where: Base-Base interactions energy: -97.608 where: short stacking energy: -64.244 Base-Backbone interact. energy: -0.589 local terms energy: -64.422248 where: bonds (distance) C4'-P energy: -11.908 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -13.717 flat angles P-C4'-P energy: -9.049 tors. eta vs tors. theta energy: -16.008 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: 6 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -137.905826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.905826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.905826 (E_RNA) where: Base-Base interactions energy: -79.231 where: short stacking energy: -48.578 Base-Backbone interact. energy: 0.066 local terms energy: -58.741363 where: bonds (distance) C4'-P energy: -8.857 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -13.332 flat angles P-C4'-P energy: -11.649 tors. eta vs tors. theta energy: -11.587 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: 2 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -142.202800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.202800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.202800 (E_RNA) where: Base-Base interactions energy: -86.430 where: short stacking energy: -58.363 Base-Backbone interact. energy: -0.064 local terms energy: -55.708500 where: bonds (distance) C4'-P energy: -10.740 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -11.499 flat angles P-C4'-P energy: -7.396 tors. eta vs tors. theta energy: -11.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -140.274119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.274119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.274119 (E_RNA) where: Base-Base interactions energy: -82.097 where: short stacking energy: -50.125 Base-Backbone interact. energy: -0.846 local terms energy: -57.331111 where: bonds (distance) C4'-P energy: -10.992 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -10.276 flat angles P-C4'-P energy: -9.343 tors. eta vs tors. theta energy: -13.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -97.845531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.845531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.845531 (E_RNA) where: Base-Base interactions energy: -38.203 where: short stacking energy: -38.203 Base-Backbone interact. energy: -0.101 local terms energy: -59.540985 where: bonds (distance) C4'-P energy: -13.659 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -13.269 flat angles P-C4'-P energy: -8.453 tors. eta vs tors. theta energy: -10.864 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: 9 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -84.168275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.168275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.168275 (E_RNA) where: Base-Base interactions energy: -27.800 where: short stacking energy: -25.200 Base-Backbone interact. energy: -0.160 local terms energy: -56.208757 where: bonds (distance) C4'-P energy: -13.407 bonds (distance) P-C4' energy: -16.492 flat angles C4'-P-C4' energy: -13.323 flat angles P-C4'-P energy: -9.512 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -82.147098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.147098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.147098 (E_RNA) where: Base-Base interactions energy: -32.162 where: short stacking energy: -29.351 Base-Backbone interact. energy: -0.428 local terms energy: -49.557323 where: bonds (distance) C4'-P energy: -11.958 bonds (distance) P-C4' energy: -13.942 flat angles C4'-P-C4' energy: -12.213 flat angles P-C4'-P energy: -9.759 tors. eta vs tors. theta energy: -1.685 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: 8 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -75.688454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.688454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.688454 (E_RNA) where: Base-Base interactions energy: -31.139 where: short stacking energy: -31.139 Base-Backbone interact. energy: -0.534 local terms energy: -44.016305 where: bonds (distance) C4'-P energy: -13.767 bonds (distance) P-C4' energy: -11.702 flat angles C4'-P-C4' energy: -9.115 flat angles P-C4'-P energy: -7.934 tors. eta vs tors. theta energy: -1.499 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: 1 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -70.649211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.649211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.649211 (E_RNA) where: Base-Base interactions energy: -31.747 where: short stacking energy: -31.747 Base-Backbone interact. energy: -0.094 local terms energy: -38.808541 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -9.840 flat angles C4'-P-C4' energy: -14.156 flat angles P-C4'-P energy: -2.923 tors. eta vs tors. theta energy: -2.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -161.905781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.905781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.905781 (E_RNA) where: Base-Base interactions energy: -99.417 where: short stacking energy: -63.451 Base-Backbone interact. energy: -0.098 local terms energy: -62.390678 where: bonds (distance) C4'-P energy: -10.489 bonds (distance) P-C4' energy: -14.311 flat angles C4'-P-C4' energy: -13.426 flat angles P-C4'-P energy: -6.831 tors. eta vs tors. theta energy: -17.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -150.772864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.772864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.772864 (E_RNA) where: Base-Base interactions energy: -88.491 where: short stacking energy: -62.508 Base-Backbone interact. energy: -0.013 local terms energy: -62.268524 where: bonds (distance) C4'-P energy: -11.299 bonds (distance) P-C4' energy: -15.035 flat angles C4'-P-C4' energy: -15.179 flat angles P-C4'-P energy: -8.626 tors. eta vs tors. theta energy: -12.129 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: 6 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -155.165146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.165146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.165146 (E_RNA) where: Base-Base interactions energy: -89.995 where: short stacking energy: -58.930 Base-Backbone interact. energy: -0.695 local terms energy: -64.475074 where: bonds (distance) C4'-P energy: -12.762 bonds (distance) P-C4' energy: -12.851 flat angles C4'-P-C4' energy: -12.982 flat angles P-C4'-P energy: -9.809 tors. eta vs tors. theta energy: -16.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -149.565973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.565973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.565973 (E_RNA) where: Base-Base interactions energy: -84.932 where: short stacking energy: -55.554 Base-Backbone interact. energy: -0.132 local terms energy: -64.502264 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -14.547 flat angles C4'-P-C4' energy: -14.107 flat angles P-C4'-P energy: -11.616 tors. eta vs tors. theta energy: -11.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -147.930857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.930857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.930857 (E_RNA) where: Base-Base interactions energy: -88.770 where: short stacking energy: -51.967 Base-Backbone interact. energy: -0.014 local terms energy: -59.146212 where: bonds (distance) C4'-P energy: -11.920 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -14.485 flat angles P-C4'-P energy: -7.167 tors. eta vs tors. theta energy: -13.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -113.814435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.814435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.814435 (E_RNA) where: Base-Base interactions energy: -62.599 where: short stacking energy: -37.536 Base-Backbone interact. energy: -0.407 local terms energy: -50.808499 where: bonds (distance) C4'-P energy: -11.713 bonds (distance) P-C4' energy: -13.912 flat angles C4'-P-C4' energy: -7.888 flat angles P-C4'-P energy: -10.866 tors. eta vs tors. theta energy: -6.430 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: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -76.053496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.053496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.053496 (E_RNA) where: Base-Base interactions energy: -31.853 where: short stacking energy: -27.077 Base-Backbone interact. energy: -0.029 local terms energy: -44.171837 where: bonds (distance) C4'-P energy: -9.675 bonds (distance) P-C4' energy: -12.476 flat angles C4'-P-C4' energy: -10.926 flat angles P-C4'-P energy: -8.317 tors. eta vs tors. theta energy: -2.777 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: 8, replica: 7 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -93.868299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.868299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.868299 (E_RNA) where: Base-Base interactions energy: -41.129 where: short stacking energy: -41.129 Base-Backbone interact. energy: -0.008 local terms energy: -52.731725 where: bonds (distance) C4'-P energy: -11.012 bonds (distance) P-C4' energy: -15.435 flat angles C4'-P-C4' energy: -12.728 flat angles P-C4'-P energy: -5.214 tors. eta vs tors. theta energy: -8.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -79.998379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.998379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.998379 (E_RNA) where: Base-Base interactions energy: -37.794 where: short stacking energy: -37.794 Base-Backbone interact. energy: -0.380 local terms energy: -41.824336 where: bonds (distance) C4'-P energy: -8.920 bonds (distance) P-C4' energy: -10.386 flat angles C4'-P-C4' energy: -8.583 flat angles P-C4'-P energy: -6.577 tors. eta vs tors. theta energy: -7.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -76.342436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.342436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.342436 (E_RNA) where: Base-Base interactions energy: -32.133 where: short stacking energy: -30.093 Base-Backbone interact. energy: -0.113 local terms energy: -44.096426 where: bonds (distance) C4'-P energy: -6.417 bonds (distance) P-C4' energy: -13.441 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -7.519 tors. eta vs tors. theta energy: -3.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -158.673133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.673133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.673133 (E_RNA) where: Base-Base interactions energy: -100.451 where: short stacking energy: -63.528 Base-Backbone interact. energy: -0.002 local terms energy: -58.219888 where: bonds (distance) C4'-P energy: -11.428 bonds (distance) P-C4' energy: -12.740 flat angles C4'-P-C4' energy: -11.852 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -13.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -159.172741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.172741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.172741 (E_RNA) where: Base-Base interactions energy: -97.539 where: short stacking energy: -67.436 Base-Backbone interact. energy: -0.896 local terms energy: -60.737841 where: bonds (distance) C4'-P energy: -13.208 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -12.624 flat angles P-C4'-P energy: -7.030 tors. eta vs tors. theta energy: -14.471 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: 6 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -157.466585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.466585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.466585 (E_RNA) where: Base-Base interactions energy: -94.304 where: short stacking energy: -60.290 Base-Backbone interact. energy: -0.001 local terms energy: -63.162163 where: bonds (distance) C4'-P energy: -9.266 bonds (distance) P-C4' energy: -11.743 flat angles C4'-P-C4' energy: -13.807 flat angles P-C4'-P energy: -10.299 tors. eta vs tors. theta energy: -18.046 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: 4, replica: 10 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -144.905831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.905831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.905831 (E_RNA) where: Base-Base interactions energy: -86.727 where: short stacking energy: -43.968 Base-Backbone interact. energy: -0.568 local terms energy: -57.611016 where: bonds (distance) C4'-P energy: -13.154 bonds (distance) P-C4' energy: -13.969 flat angles C4'-P-C4' energy: -11.009 flat angles P-C4'-P energy: -8.696 tors. eta vs tors. theta energy: -10.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -142.133176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.133176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.133176 (E_RNA) where: Base-Base interactions energy: -87.313 where: short stacking energy: -52.842 Base-Backbone interact. energy: 0.355 local terms energy: -55.175808 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -14.629 flat angles C4'-P-C4' energy: -14.084 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -13.420 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: 2 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -132.888215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.888215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.888215 (E_RNA) where: Base-Base interactions energy: -82.277 where: short stacking energy: -51.361 Base-Backbone interact. energy: -0.001 local terms energy: -50.610168 where: bonds (distance) C4'-P energy: -13.543 bonds (distance) P-C4' energy: -10.147 flat angles C4'-P-C4' energy: -10.538 flat angles P-C4'-P energy: -6.319 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: 7, replica: 9 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -79.990278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.990278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.990278 (E_RNA) where: Base-Base interactions energy: -31.267 where: short stacking energy: -28.426 Base-Backbone interact. energy: -0.487 local terms energy: -48.236991 where: bonds (distance) C4'-P energy: -12.397 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -12.610 flat angles P-C4'-P energy: -5.836 tors. eta vs tors. theta energy: -2.536 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: 7 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -81.868560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.868560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.868560 (E_RNA) where: Base-Base interactions energy: -35.007 where: short stacking energy: -16.760 Base-Backbone interact. energy: 0.806 local terms energy: -47.667486 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -13.214 flat angles C4'-P-C4' energy: -12.466 flat angles P-C4'-P energy: -9.091 tors. eta vs tors. theta energy: -0.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -83.450781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.450781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.450781 (E_RNA) where: Base-Base interactions energy: -40.063 where: short stacking energy: -40.063 Base-Backbone interact. energy: -0.026 local terms energy: -43.361942 where: bonds (distance) C4'-P energy: -14.036 bonds (distance) P-C4' energy: -9.554 flat angles C4'-P-C4' energy: -8.963 flat angles P-C4'-P energy: -7.113 tors. eta vs tors. theta energy: -3.696 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: 8 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -73.086077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.086077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.086077 (E_RNA) where: Base-Base interactions energy: -36.482 where: short stacking energy: -32.033 Base-Backbone interact. energy: 0.327 local terms energy: -36.931100 where: bonds (distance) C4'-P energy: -8.000 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -6.861 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: -1.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -156.101362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.101362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.101362 (E_RNA) where: Base-Base interactions energy: -95.294 where: short stacking energy: -54.804 Base-Backbone interact. energy: -0.222 local terms energy: -60.585813 where: bonds (distance) C4'-P energy: -13.125 bonds (distance) P-C4' energy: -13.609 flat angles C4'-P-C4' energy: -15.931 flat angles P-C4'-P energy: -6.072 tors. eta vs tors. theta energy: -11.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -168.803274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.803274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.803274 (E_RNA) where: Base-Base interactions energy: -102.805 where: short stacking energy: -67.044 Base-Backbone interact. energy: -0.001 local terms energy: -65.997336 where: bonds (distance) C4'-P energy: -12.095 bonds (distance) P-C4' energy: -14.946 flat angles C4'-P-C4' energy: -14.330 flat angles P-C4'-P energy: -7.352 tors. eta vs tors. theta energy: -17.275 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: 5 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -146.220219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.220219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.220219 (E_RNA) where: Base-Base interactions energy: -82.592 where: short stacking energy: -56.454 Base-Backbone interact. energy: -0.339 local terms energy: -63.289223 where: bonds (distance) C4'-P energy: -14.902 bonds (distance) P-C4' energy: -15.020 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -6.435 tors. eta vs tors. theta energy: -13.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -150.871561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.871561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.871561 (E_RNA) where: Base-Base interactions energy: -90.855 where: short stacking energy: -55.416 Base-Backbone interact. energy: -0.167 local terms energy: -59.849608 where: bonds (distance) C4'-P energy: -10.277 bonds (distance) P-C4' energy: -11.973 flat angles C4'-P-C4' energy: -14.326 flat angles P-C4'-P energy: -8.553 tors. eta vs tors. theta energy: -14.721 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: 3 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -142.492262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.492262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.492262 (E_RNA) where: Base-Base interactions energy: -86.467 where: short stacking energy: -52.126 Base-Backbone interact. energy: -0.173 local terms energy: -55.852303 where: bonds (distance) C4'-P energy: -10.327 bonds (distance) P-C4' energy: -12.046 flat angles C4'-P-C4' energy: -14.078 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -14.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -120.020354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.020354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.020354 (E_RNA) where: Base-Base interactions energy: -70.197 where: short stacking energy: -37.402 Base-Backbone interact. energy: -0.383 local terms energy: -49.441033 where: bonds (distance) C4'-P energy: -9.731 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -13.115 flat angles P-C4'-P energy: -5.115 tors. eta vs tors. theta energy: -7.349 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: 7, replica: 9 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -85.029576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.029576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.029576 (E_RNA) where: Base-Base interactions energy: -34.121 where: short stacking energy: -34.121 Base-Backbone interact. energy: -0.380 local terms energy: -50.528201 where: bonds (distance) C4'-P energy: -12.747 bonds (distance) P-C4' energy: -11.219 flat angles C4'-P-C4' energy: -8.360 flat angles P-C4'-P energy: -8.140 tors. eta vs tors. theta energy: -10.062 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: 1 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -83.100127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.100127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.100127 (E_RNA) where: Base-Base interactions energy: -36.159 where: short stacking energy: -36.159 Base-Backbone interact. energy: -0.098 local terms energy: -46.843182 where: bonds (distance) C4'-P energy: -11.473 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -12.311 flat angles P-C4'-P energy: -6.563 tors. eta vs tors. theta energy: -7.202 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: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -79.162775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.162775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.162775 (E_RNA) where: Base-Base interactions energy: -34.836 where: short stacking energy: -34.836 Base-Backbone interact. energy: 0.131 local terms energy: -44.458237 where: bonds (distance) C4'-P energy: -11.461 bonds (distance) P-C4' energy: -7.915 flat angles C4'-P-C4' energy: -9.526 flat angles P-C4'-P energy: -7.867 tors. eta vs tors. theta energy: -7.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -83.049879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.049879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.049879 (E_RNA) where: Base-Base interactions energy: -33.835 where: short stacking energy: -33.835 Base-Backbone interact. energy: -0.009 local terms energy: -49.205766 where: bonds (distance) C4'-P energy: -10.442 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -13.244 flat angles P-C4'-P energy: -2.191 tors. eta vs tors. theta energy: -9.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -160.316533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.316533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.316533 (E_RNA) where: Base-Base interactions energy: -98.608 where: short stacking energy: -65.134 Base-Backbone interact. energy: -0.001 local terms energy: -61.707403 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -11.976 flat angles C4'-P-C4' energy: -15.179 flat angles P-C4'-P energy: -5.406 tors. eta vs tors. theta energy: -15.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -152.037780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.037780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.037780 (E_RNA) where: Base-Base interactions energy: -87.014 where: short stacking energy: -52.148 Base-Backbone interact. energy: -0.065 local terms energy: -64.958561 where: bonds (distance) C4'-P energy: -14.130 bonds (distance) P-C4' energy: -14.476 flat angles C4'-P-C4' energy: -14.838 flat angles P-C4'-P energy: -11.339 tors. eta vs tors. theta energy: -10.176 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: 10 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -148.196999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.196999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.196999 (E_RNA) where: Base-Base interactions energy: -87.701 where: short stacking energy: -55.428 Base-Backbone interact. energy: -0.021 local terms energy: -60.474603 where: bonds (distance) C4'-P energy: -12.334 bonds (distance) P-C4' energy: -12.710 flat angles C4'-P-C4' energy: -12.671 flat angles P-C4'-P energy: -10.555 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: 4, replica: 5 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -154.795928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.795928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.795928 (E_RNA) where: Base-Base interactions energy: -91.732 where: short stacking energy: -52.291 Base-Backbone interact. energy: -0.331 local terms energy: -62.733049 where: bonds (distance) C4'-P energy: -11.469 bonds (distance) P-C4' energy: -13.489 flat angles C4'-P-C4' energy: -14.647 flat angles P-C4'-P energy: -8.715 tors. eta vs tors. theta energy: -14.413 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: 3 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -131.957251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.957251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.957251 (E_RNA) where: Base-Base interactions energy: -79.885 where: short stacking energy: -41.046 Base-Backbone interact. energy: -0.090 local terms energy: -51.982684 where: bonds (distance) C4'-P energy: -12.305 bonds (distance) P-C4' energy: -13.533 flat angles C4'-P-C4' energy: -10.170 flat angles P-C4'-P energy: -6.666 tors. eta vs tors. theta energy: -9.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -127.540788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.540788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.540788 (E_RNA) where: Base-Base interactions energy: -76.666 where: short stacking energy: -44.292 Base-Backbone interact. energy: -0.128 local terms energy: -50.746828 where: bonds (distance) C4'-P energy: -10.302 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -11.715 flat angles P-C4'-P energy: -7.946 tors. eta vs tors. theta energy: -6.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -83.538647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.538647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.538647 (E_RNA) where: Base-Base interactions energy: -36.642 where: short stacking energy: -36.642 Base-Backbone interact. energy: -0.100 local terms energy: -46.797397 where: bonds (distance) C4'-P energy: -11.187 bonds (distance) P-C4' energy: -11.983 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -8.473 tors. eta vs tors. theta energy: -9.863 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: 1 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -90.210821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.210821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.210821 (E_RNA) where: Base-Base interactions energy: -40.016 where: short stacking energy: -40.016 Base-Backbone interact. energy: -0.001 local terms energy: -50.193576 where: bonds (distance) C4'-P energy: -11.892 bonds (distance) P-C4' energy: -13.676 flat angles C4'-P-C4' energy: -13.653 flat angles P-C4'-P energy: -3.499 tors. eta vs tors. theta energy: -7.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -89.777238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.777238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.777238 (E_RNA) where: Base-Base interactions energy: -36.651 where: short stacking energy: -35.085 Base-Backbone interact. energy: -0.028 local terms energy: -53.098448 where: bonds (distance) C4'-P energy: -11.458 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -10.666 flat angles P-C4'-P energy: -10.285 tors. eta vs tors. theta energy: -8.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -76.449039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.449039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.449039 (E_RNA) where: Base-Base interactions energy: -36.325 where: short stacking energy: -35.303 Base-Backbone interact. energy: -0.955 local terms energy: -39.169535 where: bonds (distance) C4'-P energy: -11.909 bonds (distance) P-C4' energy: -8.012 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -8.779 tors. eta vs tors. theta energy: -5.387 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: 1, replica: 6 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -166.165545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.165545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.165545 (E_RNA) where: Base-Base interactions energy: -96.077 where: short stacking energy: -65.509 Base-Backbone interact. energy: -0.001 local terms energy: -70.088046 where: bonds (distance) C4'-P energy: -14.993 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -14.584 flat angles P-C4'-P energy: -10.101 tors. eta vs tors. theta energy: -15.810 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: 2, replica: 4 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -153.816030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.816030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.816030 (E_RNA) where: Base-Base interactions energy: -93.498 where: short stacking energy: -57.127 Base-Backbone interact. energy: 0.142 local terms energy: -60.459899 where: bonds (distance) C4'-P energy: -12.239 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -14.867 flat angles P-C4'-P energy: -9.898 tors. eta vs tors. theta energy: -10.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -132.929912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.929912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.929912 (E_RNA) where: Base-Base interactions energy: -75.605 where: short stacking energy: -42.036 Base-Backbone interact. energy: 1.468 local terms energy: -58.793680 where: bonds (distance) C4'-P energy: -12.570 bonds (distance) P-C4' energy: -11.622 flat angles C4'-P-C4' energy: -13.438 flat angles P-C4'-P energy: -9.278 tors. eta vs tors. theta energy: -11.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -148.686979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.686979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.686979 (E_RNA) where: Base-Base interactions energy: -87.301 where: short stacking energy: -54.948 Base-Backbone interact. energy: -0.639 local terms energy: -60.747724 where: bonds (distance) C4'-P energy: -13.544 bonds (distance) P-C4' energy: -14.178 flat angles C4'-P-C4' energy: -12.204 flat angles P-C4'-P energy: -8.894 tors. eta vs tors. theta energy: -11.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -142.100443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.100443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.100443 (E_RNA) where: Base-Base interactions energy: -85.949 where: short stacking energy: -47.770 Base-Backbone interact. energy: 0.410 local terms energy: -56.561432 where: bonds (distance) C4'-P energy: -11.048 bonds (distance) P-C4' energy: -12.207 flat angles C4'-P-C4' energy: -10.638 flat angles P-C4'-P energy: -9.208 tors. eta vs tors. theta energy: -13.460 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: 9 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -97.575424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.575424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.575424 (E_RNA) where: Base-Base interactions energy: -44.947 where: short stacking energy: -44.895 Base-Backbone interact. energy: -0.092 local terms energy: -52.536030 where: bonds (distance) C4'-P energy: -9.449 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -12.800 flat angles P-C4'-P energy: -7.444 tors. eta vs tors. theta energy: -9.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -112.982681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.982681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.982681 (E_RNA) where: Base-Base interactions energy: -67.139 where: short stacking energy: -38.805 Base-Backbone interact. energy: -0.377 local terms energy: -45.465771 where: bonds (distance) C4'-P energy: -9.660 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -5.896 tors. eta vs tors. theta energy: -6.980 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: 8, replica: 8 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -87.200236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.200236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.200236 (E_RNA) where: Base-Base interactions energy: -35.059 where: short stacking energy: -35.059 Base-Backbone interact. energy: -0.206 local terms energy: -51.935468 where: bonds (distance) C4'-P energy: -15.481 bonds (distance) P-C4' energy: -12.983 flat angles C4'-P-C4' energy: -12.367 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -4.843 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: 1 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -76.226251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.226251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.226251 (E_RNA) where: Base-Base interactions energy: -26.780 where: short stacking energy: -23.625 Base-Backbone interact. energy: -0.164 local terms energy: -49.281929 where: bonds (distance) C4'-P energy: -14.264 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -10.637 flat angles P-C4'-P energy: -7.411 tors. eta vs tors. theta energy: -2.321 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: 7 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -77.448333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.448333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.448333 (E_RNA) where: Base-Base interactions energy: -34.216 where: short stacking energy: -29.235 Base-Backbone interact. energy: -0.024 local terms energy: -43.207650 where: bonds (distance) C4'-P energy: -11.085 bonds (distance) P-C4' energy: -12.560 flat angles C4'-P-C4' energy: -11.515 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -4.356 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: 1, replica: 4 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -166.378173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.378173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.378173 (E_RNA) where: Base-Base interactions energy: -102.471 where: short stacking energy: -61.021 Base-Backbone interact. energy: -0.023 local terms energy: -63.884472 where: bonds (distance) C4'-P energy: -10.073 bonds (distance) P-C4' energy: -12.566 flat angles C4'-P-C4' energy: -14.708 flat angles P-C4'-P energy: -10.241 tors. eta vs tors. theta energy: -16.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -167.076047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.076047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.076047 (E_RNA) where: Base-Base interactions energy: -99.026 where: short stacking energy: -68.369 Base-Backbone interact. energy: -0.006 local terms energy: -68.044454 where: bonds (distance) C4'-P energy: -11.329 bonds (distance) P-C4' energy: -11.213 flat angles C4'-P-C4' energy: -15.949 flat angles P-C4'-P energy: -10.539 tors. eta vs tors. theta energy: -19.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -132.650020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.650020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.650020 (E_RNA) where: Base-Base interactions energy: -81.665 where: short stacking energy: -48.756 Base-Backbone interact. energy: -0.041 local terms energy: -50.943941 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -12.725 flat angles C4'-P-C4' energy: -8.215 flat angles P-C4'-P energy: -7.926 tors. eta vs tors. theta energy: -8.633 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: 426 Temperature: 1.050000 Total energy: -131.514017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.514017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.514017 (E_RNA) where: Base-Base interactions energy: -82.496 where: short stacking energy: -38.905 Base-Backbone interact. energy: -0.621 local terms energy: -48.397613 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -12.109 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -9.481 tors. eta vs tors. theta energy: -8.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -133.501275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.501275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.501275 (E_RNA) where: Base-Base interactions energy: -78.841 where: short stacking energy: -50.521 Base-Backbone interact. energy: 0.082 local terms energy: -54.741564 where: bonds (distance) C4'-P energy: -7.959 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -13.880 flat angles P-C4'-P energy: -10.333 tors. eta vs tors. theta energy: -8.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -99.765077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.765077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.765077 (E_RNA) where: Base-Base interactions energy: -52.743 where: short stacking energy: -52.743 Base-Backbone interact. energy: -0.024 local terms energy: -46.998084 where: bonds (distance) C4'-P energy: -12.083 bonds (distance) P-C4' energy: -11.287 flat angles C4'-P-C4' energy: -4.122 flat angles P-C4'-P energy: -8.904 tors. eta vs tors. theta energy: -10.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -119.353026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.353026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.353026 (E_RNA) where: Base-Base interactions energy: -71.570 where: short stacking energy: -41.727 Base-Backbone interact. energy: 1.224 local terms energy: -49.006520 where: bonds (distance) C4'-P energy: -9.205 bonds (distance) P-C4' energy: -14.440 flat angles C4'-P-C4' energy: -11.874 flat angles P-C4'-P energy: -6.046 tors. eta vs tors. theta energy: -7.441 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: 8 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -82.122006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.122006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.122006 (E_RNA) where: Base-Base interactions energy: -37.071 where: short stacking energy: -35.114 Base-Backbone interact. energy: -0.048 local terms energy: -45.002448 where: bonds (distance) C4'-P energy: -12.206 bonds (distance) P-C4' energy: -10.655 flat angles C4'-P-C4' energy: -9.906 flat angles P-C4'-P energy: -6.350 tors. eta vs tors. theta energy: -5.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -79.482902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.482902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.482902 (E_RNA) where: Base-Base interactions energy: -39.201 where: short stacking energy: -36.465 Base-Backbone interact. energy: -0.053 local terms energy: -40.228442 where: bonds (distance) C4'-P energy: -14.280 bonds (distance) P-C4' energy: -11.984 flat angles C4'-P-C4' energy: -9.203 flat angles P-C4'-P energy: 1.716 tors. eta vs tors. theta energy: -6.478 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: 1 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -77.285576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.285576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.285576 (E_RNA) where: Base-Base interactions energy: -35.103 where: short stacking energy: -26.838 Base-Backbone interact. energy: -0.043 local terms energy: -42.140107 where: bonds (distance) C4'-P energy: -11.083 bonds (distance) P-C4' energy: -10.007 flat angles C4'-P-C4' energy: -9.415 flat angles P-C4'-P energy: -6.970 tors. eta vs tors. theta energy: -4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -170.512324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.512324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.512324 (E_RNA) where: Base-Base interactions energy: -101.630 where: short stacking energy: -66.607 Base-Backbone interact. energy: -0.004 local terms energy: -68.878767 where: bonds (distance) C4'-P energy: -14.885 bonds (distance) P-C4' energy: -15.206 flat angles C4'-P-C4' energy: -11.493 flat angles P-C4'-P energy: -10.052 tors. eta vs tors. theta energy: -17.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -168.151995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.151995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.151995 (E_RNA) where: Base-Base interactions energy: -104.702 where: short stacking energy: -70.358 Base-Backbone interact. energy: 0.197 local terms energy: -63.647039 where: bonds (distance) C4'-P energy: -12.343 bonds (distance) P-C4' energy: -13.330 flat angles C4'-P-C4' energy: -12.016 flat angles P-C4'-P energy: -7.431 tors. eta vs tors. theta energy: -18.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -136.785012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.785012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.785012 (E_RNA) where: Base-Base interactions energy: -77.469 where: short stacking energy: -47.257 Base-Backbone interact. energy: -1.445 local terms energy: -57.871081 where: bonds (distance) C4'-P energy: -12.837 bonds (distance) P-C4' energy: -12.553 flat angles C4'-P-C4' energy: -11.206 flat angles P-C4'-P energy: -11.514 tors. eta vs tors. theta energy: -9.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -129.951111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.951111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.951111 (E_RNA) where: Base-Base interactions energy: -77.818 where: short stacking energy: -51.142 Base-Backbone interact. energy: -1.554 local terms energy: -50.579395 where: bonds (distance) C4'-P energy: -10.737 bonds (distance) P-C4' energy: -10.713 flat angles C4'-P-C4' energy: -12.850 flat angles P-C4'-P energy: -6.901 tors. eta vs tors. theta energy: -9.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -138.133345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.133345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.133345 (E_RNA) where: Base-Base interactions energy: -84.867 where: short stacking energy: -43.531 Base-Backbone interact. energy: -0.010 local terms energy: -53.256169 where: bonds (distance) C4'-P energy: -7.504 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -12.806 flat angles P-C4'-P energy: -8.762 tors. eta vs tors. theta energy: -9.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -131.438045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.438045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.438045 (E_RNA) where: Base-Base interactions energy: -77.097 where: short stacking energy: -41.513 Base-Backbone interact. energy: -0.442 local terms energy: -53.898601 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -10.937 flat angles C4'-P-C4' energy: -12.316 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -11.981 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: 9 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -96.317277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.317277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.317277 (E_RNA) where: Base-Base interactions energy: -48.237 where: short stacking energy: -44.041 Base-Backbone interact. energy: -0.100 local terms energy: -47.980452 where: bonds (distance) C4'-P energy: -11.241 bonds (distance) P-C4' energy: -7.611 flat angles C4'-P-C4' energy: -13.093 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -11.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -97.637514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.637514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.637514 (E_RNA) where: Base-Base interactions energy: -51.100 where: short stacking energy: -51.100 Base-Backbone interact. energy: -0.053 local terms energy: -46.484845 where: bonds (distance) C4'-P energy: -5.130 bonds (distance) P-C4' energy: -12.330 flat angles C4'-P-C4' energy: -9.349 flat angles P-C4'-P energy: -6.735 tors. eta vs tors. theta energy: -12.942 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: 8 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -80.428641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.428641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.428641 (E_RNA) where: Base-Base interactions energy: -35.094 where: short stacking energy: -29.683 Base-Backbone interact. energy: -0.527 local terms energy: -44.807686 where: bonds (distance) C4'-P energy: -11.385 bonds (distance) P-C4' energy: -10.796 flat angles C4'-P-C4' energy: -12.988 flat angles P-C4'-P energy: -7.633 tors. eta vs tors. theta energy: -2.004 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: 1 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -71.252366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.252366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.252366 (E_RNA) where: Base-Base interactions energy: -27.955 where: short stacking energy: -27.955 Base-Backbone interact. energy: 2.872 local terms energy: -46.169366 where: bonds (distance) C4'-P energy: -14.210 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -11.436 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -1.937 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: 4 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -166.286910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.286910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.286910 (E_RNA) where: Base-Base interactions energy: -98.658 where: short stacking energy: -59.247 Base-Backbone interact. energy: -0.478 local terms energy: -67.150787 where: bonds (distance) C4'-P energy: -13.800 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -13.366 flat angles P-C4'-P energy: -9.360 tors. eta vs tors. theta energy: -15.317 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: 6 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -158.414237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.414237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.414237 (E_RNA) where: Base-Base interactions energy: -95.885 where: short stacking energy: -60.073 Base-Backbone interact. energy: -0.001 local terms energy: -62.528668 where: bonds (distance) C4'-P energy: -11.605 bonds (distance) P-C4' energy: -13.949 flat angles C4'-P-C4' energy: -11.158 flat angles P-C4'-P energy: -7.767 tors. eta vs tors. theta energy: -18.049 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: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -144.119661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.119661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.119661 (E_RNA) where: Base-Base interactions energy: -83.433 where: short stacking energy: -55.727 Base-Backbone interact. energy: -0.018 local terms energy: -60.668366 where: bonds (distance) C4'-P energy: -14.190 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -11.886 flat angles P-C4'-P energy: -9.049 tors. eta vs tors. theta energy: -11.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -144.338304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.338304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.338304 (E_RNA) where: Base-Base interactions energy: -81.258 where: short stacking energy: -51.012 Base-Backbone interact. energy: -1.099 local terms energy: -61.980862 where: bonds (distance) C4'-P energy: -14.530 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -7.288 tors. eta vs tors. theta energy: -13.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -137.610525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.610525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.610525 (E_RNA) where: Base-Base interactions energy: -84.412 where: short stacking energy: -48.127 Base-Backbone interact. energy: 0.318 local terms energy: -53.516458 where: bonds (distance) C4'-P energy: -14.495 bonds (distance) P-C4' energy: -9.344 flat angles C4'-P-C4' energy: -13.160 flat angles P-C4'-P energy: -7.557 tors. eta vs tors. theta energy: -8.960 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: 6, replica: 5 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -127.707433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.707433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.707433 (E_RNA) where: Base-Base interactions energy: -74.861 where: short stacking energy: -44.353 Base-Backbone interact. energy: 0.636 local terms energy: -53.482517 where: bonds (distance) C4'-P energy: -11.564 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -13.270 flat angles P-C4'-P energy: -9.986 tors. eta vs tors. theta energy: -5.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -88.972430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.972430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.972430 (E_RNA) where: Base-Base interactions energy: -35.747 where: short stacking energy: -35.095 Base-Backbone interact. energy: -0.001 local terms energy: -53.223976 where: bonds (distance) C4'-P energy: -11.650 bonds (distance) P-C4' energy: -11.909 flat angles C4'-P-C4' energy: -10.286 flat angles P-C4'-P energy: -10.752 tors. eta vs tors. theta energy: -8.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -80.555773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.555773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.555773 (E_RNA) where: Base-Base interactions energy: -34.585 where: short stacking energy: -33.771 Base-Backbone interact. energy: 0.574 local terms energy: -46.544868 where: bonds (distance) C4'-P energy: -10.110 bonds (distance) P-C4' energy: -12.023 flat angles C4'-P-C4' energy: -11.935 flat angles P-C4'-P energy: -6.586 tors. eta vs tors. theta energy: -5.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -92.599394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.599394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.599394 (E_RNA) where: Base-Base interactions energy: -40.893 where: short stacking energy: -39.302 Base-Backbone interact. energy: -0.862 local terms energy: -50.843766 where: bonds (distance) C4'-P energy: -9.213 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -11.734 flat angles P-C4'-P energy: -8.159 tors. eta vs tors. theta energy: -7.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -74.301981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.301981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.301981 (E_RNA) where: Base-Base interactions energy: -33.419 where: short stacking energy: -30.328 Base-Backbone interact. energy: 0.496 local terms energy: -41.378877 where: bonds (distance) C4'-P energy: -8.920 bonds (distance) P-C4' energy: -12.451 flat angles C4'-P-C4' energy: -9.875 flat angles P-C4'-P energy: -7.845 tors. eta vs tors. theta energy: -2.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -162.766290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.766290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.766290 (E_RNA) where: Base-Base interactions energy: -95.119 where: short stacking energy: -61.502 Base-Backbone interact. energy: -0.005 local terms energy: -67.642009 where: bonds (distance) C4'-P energy: -13.113 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -14.900 flat angles P-C4'-P energy: -7.920 tors. eta vs tors. theta energy: -17.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -140.973117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.973117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.973117 (E_RNA) where: Base-Base interactions energy: -80.567 where: short stacking energy: -49.634 Base-Backbone interact. energy: -0.005 local terms energy: -60.401786 where: bonds (distance) C4'-P energy: -14.902 bonds (distance) P-C4' energy: -11.499 flat angles C4'-P-C4' energy: -13.514 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -10.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -146.853649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.853649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.853649 (E_RNA) where: Base-Base interactions energy: -87.321 where: short stacking energy: -53.338 Base-Backbone interact. energy: -0.057 local terms energy: -59.476018 where: bonds (distance) C4'-P energy: -8.955 bonds (distance) P-C4' energy: -13.962 flat angles C4'-P-C4' energy: -14.737 flat angles P-C4'-P energy: -10.118 tors. eta vs tors. theta energy: -11.705 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: 10 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -142.964243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.964243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.964243 (E_RNA) where: Base-Base interactions energy: -88.310 where: short stacking energy: -57.975 Base-Backbone interact. energy: -0.603 local terms energy: -54.051461 where: bonds (distance) C4'-P energy: -11.912 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -11.817 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -12.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -141.525272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.525272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.525272 (E_RNA) where: Base-Base interactions energy: -82.136 where: short stacking energy: -45.374 Base-Backbone interact. energy: -0.045 local terms energy: -59.344386 where: bonds (distance) C4'-P energy: -14.222 bonds (distance) P-C4' energy: -10.432 flat angles C4'-P-C4' energy: -12.645 flat angles P-C4'-P energy: -11.179 tors. eta vs tors. theta energy: -10.866 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: 6, replica: 5 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -97.267749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.267749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.267749 (E_RNA) where: Base-Base interactions energy: -46.090 where: short stacking energy: -46.090 Base-Backbone interact. energy: -0.013 local terms energy: -51.164576 where: bonds (distance) C4'-P energy: -12.310 bonds (distance) P-C4' energy: -12.729 flat angles C4'-P-C4' energy: -8.520 flat angles P-C4'-P energy: -7.276 tors. eta vs tors. theta energy: -10.330 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: 9 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -87.777413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.777413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.777413 (E_RNA) where: Base-Base interactions energy: -32.577 where: short stacking energy: -32.577 Base-Backbone interact. energy: -0.099 local terms energy: -55.100720 where: bonds (distance) C4'-P energy: -12.906 bonds (distance) P-C4' energy: -12.187 flat angles C4'-P-C4' energy: -11.098 flat angles P-C4'-P energy: -7.502 tors. eta vs tors. theta energy: -11.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -86.556772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.556772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.556772 (E_RNA) where: Base-Base interactions energy: -40.952 where: short stacking energy: -36.936 Base-Backbone interact. energy: -1.402 local terms energy: -44.202578 where: bonds (distance) C4'-P energy: -8.790 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -11.075 flat angles P-C4'-P energy: -8.131 tors. eta vs tors. theta energy: -7.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -77.247411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.247411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.247411 (E_RNA) where: Base-Base interactions energy: -40.353 where: short stacking energy: -19.277 Base-Backbone interact. energy: -0.584 local terms energy: -36.310227 where: bonds (distance) C4'-P energy: -11.766 bonds (distance) P-C4' energy: -9.940 flat angles C4'-P-C4' energy: -6.582 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -4.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -77.548383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.548383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.548383 (E_RNA) where: Base-Base interactions energy: -31.442 where: short stacking energy: -31.190 Base-Backbone interact. energy: -0.066 local terms energy: -46.040139 where: bonds (distance) C4'-P energy: -12.989 bonds (distance) P-C4' energy: -13.305 flat angles C4'-P-C4' energy: -10.065 flat angles P-C4'-P energy: -6.594 tors. eta vs tors. theta energy: -3.087 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: 3 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -162.681485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.681485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.681485 (E_RNA) where: Base-Base interactions energy: -97.251 where: short stacking energy: -62.337 Base-Backbone interact. energy: -0.001 local terms energy: -65.429013 where: bonds (distance) C4'-P energy: -11.362 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -16.045 flat angles P-C4'-P energy: -8.395 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: 2, replica: 4 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -157.478379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.478379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.478379 (E_RNA) where: Base-Base interactions energy: -95.734 where: short stacking energy: -65.602 Base-Backbone interact. energy: -0.249 local terms energy: -61.495750 where: bonds (distance) C4'-P energy: -10.390 bonds (distance) P-C4' energy: -12.621 flat angles C4'-P-C4' energy: -11.942 flat angles P-C4'-P energy: -11.762 tors. eta vs tors. theta energy: -14.782 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: 6 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -147.353828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.353828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.353828 (E_RNA) where: Base-Base interactions energy: -91.976 where: short stacking energy: -48.713 Base-Backbone interact. energy: -1.479 local terms energy: -53.899601 where: bonds (distance) C4'-P energy: -12.868 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -10.516 flat angles P-C4'-P energy: -5.843 tors. eta vs tors. theta energy: -10.474 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: 10 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -134.107918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.107918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.107918 (E_RNA) where: Base-Base interactions energy: -81.529 where: short stacking energy: -50.733 Base-Backbone interact. energy: -0.349 local terms energy: -52.230041 where: bonds (distance) C4'-P energy: -12.319 bonds (distance) P-C4' energy: -13.473 flat angles C4'-P-C4' energy: -10.680 flat angles P-C4'-P energy: -9.711 tors. eta vs tors. theta energy: -6.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -146.843858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.843858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.843858 (E_RNA) where: Base-Base interactions energy: -88.672 where: short stacking energy: -52.008 Base-Backbone interact. energy: -0.022 local terms energy: -58.150471 where: bonds (distance) C4'-P energy: -14.629 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -9.065 flat angles P-C4'-P energy: -8.178 tors. eta vs tors. theta energy: -12.032 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: 5 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -91.153168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.153168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.153168 (E_RNA) where: Base-Base interactions energy: -49.099 where: short stacking energy: -17.796 Base-Backbone interact. energy: -0.076 local terms energy: -41.978042 where: bonds (distance) C4'-P energy: -12.505 bonds (distance) P-C4' energy: -13.945 flat angles C4'-P-C4' energy: -9.296 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -1.703 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: 430 Temperature: 1.200000 Total energy: -80.709390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.709390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.709390 (E_RNA) where: Base-Base interactions energy: -46.128 where: short stacking energy: -40.061 Base-Backbone interact. energy: 1.101 local terms energy: -35.682495 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -10.746 flat angles C4'-P-C4' energy: -8.337 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -2.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -83.672424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.672424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.672424 (E_RNA) where: Base-Base interactions energy: -37.321 where: short stacking energy: -37.321 Base-Backbone interact. energy: -0.106 local terms energy: -46.244879 where: bonds (distance) C4'-P energy: -12.752 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -10.419 flat angles P-C4'-P energy: -6.166 tors. eta vs tors. theta energy: -2.097 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: 1 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -75.048582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.048582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.048582 (E_RNA) where: Base-Base interactions energy: -33.198 where: short stacking energy: -30.038 Base-Backbone interact. energy: -0.104 local terms energy: -41.745937 where: bonds (distance) C4'-P energy: -9.590 bonds (distance) P-C4' energy: -10.532 flat angles C4'-P-C4' energy: -13.595 flat angles P-C4'-P energy: -6.192 tors. eta vs tors. theta energy: -1.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -67.543619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.543619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.543619 (E_RNA) where: Base-Base interactions energy: -22.207 where: short stacking energy: -22.207 Base-Backbone interact. energy: -0.091 local terms energy: -45.246025 where: bonds (distance) C4'-P energy: -11.787 bonds (distance) P-C4' energy: -11.461 flat angles C4'-P-C4' energy: -14.134 flat angles P-C4'-P energy: -8.422 tors. eta vs tors. theta energy: 0.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -162.083836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.083836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.083836 (E_RNA) where: Base-Base interactions energy: -94.367 where: short stacking energy: -62.402 Base-Backbone interact. energy: -0.001 local terms energy: -67.715439 where: bonds (distance) C4'-P energy: -13.167 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -13.954 flat angles P-C4'-P energy: -12.831 tors. eta vs tors. theta energy: -14.446 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: 2, replica: 6 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -165.833068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.833068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.833068 (E_RNA) where: Base-Base interactions energy: -103.155 where: short stacking energy: -63.050 Base-Backbone interact. energy: -0.004 local terms energy: -62.674763 where: bonds (distance) C4'-P energy: -10.944 bonds (distance) P-C4' energy: -14.927 flat angles C4'-P-C4' energy: -12.336 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -14.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -137.742670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.742670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.742670 (E_RNA) where: Base-Base interactions energy: -80.338 where: short stacking energy: -49.997 Base-Backbone interact. energy: -1.109 local terms energy: -56.295615 where: bonds (distance) C4'-P energy: -11.867 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -11.452 flat angles P-C4'-P energy: -7.078 tors. eta vs tors. theta energy: -11.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -146.818194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.818194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.818194 (E_RNA) where: Base-Base interactions energy: -87.516 where: short stacking energy: -49.581 Base-Backbone interact. energy: -0.108 local terms energy: -59.193998 where: bonds (distance) C4'-P energy: -11.305 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -11.767 flat angles P-C4'-P energy: -11.602 tors. eta vs tors. theta energy: -10.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -126.814698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.814698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.814698 (E_RNA) where: Base-Base interactions energy: -72.648 where: short stacking energy: -46.422 Base-Backbone interact. energy: -0.047 local terms energy: -54.120513 where: bonds (distance) C4'-P energy: -9.664 bonds (distance) P-C4' energy: -12.903 flat angles C4'-P-C4' energy: -12.533 flat angles P-C4'-P energy: -12.160 tors. eta vs tors. theta energy: -6.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -128.360504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.360504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.360504 (E_RNA) where: Base-Base interactions energy: -67.306 where: short stacking energy: -39.550 Base-Backbone interact. energy: -0.077 local terms energy: -60.977947 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -14.179 flat angles P-C4'-P energy: -8.579 tors. eta vs tors. theta energy: -11.878 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: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -87.239226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.239226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.239226 (E_RNA) where: Base-Base interactions energy: -41.711 where: short stacking energy: -41.711 Base-Backbone interact. energy: -0.075 local terms energy: -45.452996 where: bonds (distance) C4'-P energy: -11.589 bonds (distance) P-C4' energy: -11.804 flat angles C4'-P-C4' energy: -11.537 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -5.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -77.198763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.198763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.198763 (E_RNA) where: Base-Base interactions energy: -31.344 where: short stacking energy: -31.344 Base-Backbone interact. energy: -0.173 local terms energy: -45.681443 where: bonds (distance) C4'-P energy: -12.007 bonds (distance) P-C4' energy: -13.186 flat angles C4'-P-C4' energy: -11.542 flat angles P-C4'-P energy: -7.392 tors. eta vs tors. theta energy: -1.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -80.894375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.894375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.894375 (E_RNA) where: Base-Base interactions energy: -34.972 where: short stacking energy: -26.766 Base-Backbone interact. energy: -0.252 local terms energy: -45.670322 where: bonds (distance) C4'-P energy: -12.440 bonds (distance) P-C4' energy: -11.844 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -11.367 tors. eta vs tors. theta energy: -2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -82.268353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.268353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.268353 (E_RNA) where: Base-Base interactions energy: -38.809 where: short stacking energy: -36.470 Base-Backbone interact. energy: -0.143 local terms energy: -43.316025 where: bonds (distance) C4'-P energy: -10.403 bonds (distance) P-C4' energy: -16.708 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -3.617 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: 6 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -169.040674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.040674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.040674 (E_RNA) where: Base-Base interactions energy: -99.305 where: short stacking energy: -62.431 Base-Backbone interact. energy: -0.005 local terms energy: -69.730949 where: bonds (distance) C4'-P energy: -12.505 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -15.318 flat angles P-C4'-P energy: -10.670 tors. eta vs tors. theta energy: -15.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -153.289729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.289729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.289729 (E_RNA) where: Base-Base interactions energy: -90.708 where: short stacking energy: -56.478 Base-Backbone interact. energy: -0.021 local terms energy: -62.560573 where: bonds (distance) C4'-P energy: -10.160 bonds (distance) P-C4' energy: -14.833 flat angles C4'-P-C4' energy: -14.319 flat angles P-C4'-P energy: -9.555 tors. eta vs tors. theta energy: -13.694 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: 2 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -149.084580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.084580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.084580 (E_RNA) where: Base-Base interactions energy: -87.637 where: short stacking energy: -56.070 Base-Backbone interact. energy: -0.007 local terms energy: -61.440443 where: bonds (distance) C4'-P energy: -14.272 bonds (distance) P-C4' energy: -13.216 flat angles C4'-P-C4' energy: -16.075 flat angles P-C4'-P energy: -4.791 tors. eta vs tors. theta energy: -13.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -149.592438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.592438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.592438 (E_RNA) where: Base-Base interactions energy: -87.157 where: short stacking energy: -58.985 Base-Backbone interact. energy: -0.005 local terms energy: -62.430906 where: bonds (distance) C4'-P energy: -9.909 bonds (distance) P-C4' energy: -13.391 flat angles C4'-P-C4' energy: -14.033 flat angles P-C4'-P energy: -10.154 tors. eta vs tors. theta energy: -14.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -133.550541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.550541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.550541 (E_RNA) where: Base-Base interactions energy: -76.262 where: short stacking energy: -49.906 Base-Backbone interact. energy: -0.012 local terms energy: -57.276378 where: bonds (distance) C4'-P energy: -13.651 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -13.319 flat angles P-C4'-P energy: -7.624 tors. eta vs tors. theta energy: -10.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -125.787078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.787078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.787078 (E_RNA) where: Base-Base interactions energy: -79.663 where: short stacking energy: -54.079 Base-Backbone interact. energy: -0.025 local terms energy: -46.098810 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -11.225 flat angles C4'-P-C4' energy: -10.788 flat angles P-C4'-P energy: -8.402 tors. eta vs tors. theta energy: -7.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -101.620509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.620509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.620509 (E_RNA) where: Base-Base interactions energy: -54.974 where: short stacking energy: -40.790 Base-Backbone interact. energy: -0.086 local terms energy: -46.560335 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -9.340 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: -8.239 tors. eta vs tors. theta energy: -10.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -80.230257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.230257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.230257 (E_RNA) where: Base-Base interactions energy: -38.308 where: short stacking energy: -37.896 Base-Backbone interact. energy: -0.052 local terms energy: -41.870299 where: bonds (distance) C4'-P energy: -11.076 bonds (distance) P-C4' energy: -12.465 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -8.181 tors. eta vs tors. theta energy: -3.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -74.354198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.354198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.354198 (E_RNA) where: Base-Base interactions energy: -29.351 where: short stacking energy: -26.945 Base-Backbone interact. energy: -0.348 local terms energy: -44.655353 where: bonds (distance) C4'-P energy: -12.554 bonds (distance) P-C4' energy: -11.070 flat angles C4'-P-C4' energy: -13.209 flat angles P-C4'-P energy: -7.075 tors. eta vs tors. theta energy: -0.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -68.217548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.217548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.217548 (E_RNA) where: Base-Base interactions energy: -31.826 where: short stacking energy: -16.094 Base-Backbone interact. energy: -0.217 local terms energy: -36.175129 where: bonds (distance) C4'-P energy: -10.047 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -8.117 tors. eta vs tors. theta energy: 5.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -167.833907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.833907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.833907 (E_RNA) where: Base-Base interactions energy: -98.753 where: short stacking energy: -63.005 Base-Backbone interact. energy: -0.203 local terms energy: -68.878187 where: bonds (distance) C4'-P energy: -14.284 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -16.032 flat angles P-C4'-P energy: -12.392 tors. eta vs tors. theta energy: -12.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -161.847688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.847688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.847688 (E_RNA) where: Base-Base interactions energy: -106.994 where: short stacking energy: -62.852 Base-Backbone interact. energy: -0.226 local terms energy: -54.627913 where: bonds (distance) C4'-P energy: -10.143 bonds (distance) P-C4' energy: -11.951 flat angles C4'-P-C4' energy: -12.373 flat angles P-C4'-P energy: -6.518 tors. eta vs tors. theta energy: -13.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -164.787324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.787324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.787324 (E_RNA) where: Base-Base interactions energy: -104.486 where: short stacking energy: -63.981 Base-Backbone interact. energy: -0.004 local terms energy: -60.297858 where: bonds (distance) C4'-P energy: -13.296 bonds (distance) P-C4' energy: -10.706 flat angles C4'-P-C4' energy: -13.153 flat angles P-C4'-P energy: -7.879 tors. eta vs tors. theta energy: -15.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -139.808577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.808577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.808577 (E_RNA) where: Base-Base interactions energy: -80.158 where: short stacking energy: -48.896 Base-Backbone interact. energy: -0.023 local terms energy: -59.627613 where: bonds (distance) C4'-P energy: -14.280 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -11.163 flat angles P-C4'-P energy: -7.297 tors. eta vs tors. theta energy: -12.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -125.284364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.284364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.284364 (E_RNA) where: Base-Base interactions energy: -73.946 where: short stacking energy: -45.297 Base-Backbone interact. energy: -0.001 local terms energy: -51.337513 where: bonds (distance) C4'-P energy: -11.602 bonds (distance) P-C4' energy: -12.938 flat angles C4'-P-C4' energy: -10.632 flat angles P-C4'-P energy: -3.735 tors. eta vs tors. theta energy: -12.432 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: 10 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -127.945073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.945073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.945073 (E_RNA) where: Base-Base interactions energy: -75.954 where: short stacking energy: -45.591 Base-Backbone interact. energy: -0.007 local terms energy: -51.984874 where: bonds (distance) C4'-P energy: -5.853 bonds (distance) P-C4' energy: -12.191 flat angles C4'-P-C4' energy: -11.150 flat angles P-C4'-P energy: -10.502 tors. eta vs tors. theta energy: -12.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -83.643003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.643003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.643003 (E_RNA) where: Base-Base interactions energy: -32.036 where: short stacking energy: -29.208 Base-Backbone interact. energy: -0.048 local terms energy: -51.559291 where: bonds (distance) C4'-P energy: -8.779 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -10.924 flat angles P-C4'-P energy: -9.483 tors. eta vs tors. theta energy: -7.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -71.377318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.377318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.377318 (E_RNA) where: Base-Base interactions energy: -31.837 where: short stacking energy: -29.570 Base-Backbone interact. energy: -0.041 local terms energy: -39.499356 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -8.327 flat angles P-C4'-P energy: -6.909 tors. eta vs tors. theta energy: -4.109 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: 5 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -77.824564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.824564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.824564 (E_RNA) where: Base-Base interactions energy: -34.647 where: short stacking energy: -32.794 Base-Backbone interact. energy: -0.068 local terms energy: -43.110120 where: bonds (distance) C4'-P energy: -10.715 bonds (distance) P-C4' energy: -16.017 flat angles C4'-P-C4' energy: -10.111 flat angles P-C4'-P energy: -6.395 tors. eta vs tors. theta energy: 0.128 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: 10, replica: 9 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -73.026883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.026883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.026883 (E_RNA) where: Base-Base interactions energy: -28.550 where: short stacking energy: -28.734 Base-Backbone interact. energy: -0.038 local terms energy: -44.438546 where: bonds (distance) C4'-P energy: -9.408 bonds (distance) P-C4' energy: -12.080 flat angles C4'-P-C4' energy: -12.926 flat angles P-C4'-P energy: -8.585 tors. eta vs tors. theta energy: -1.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -146.911915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.911915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.911915 (E_RNA) where: Base-Base interactions energy: -87.753 where: short stacking energy: -47.425 Base-Backbone interact. energy: -0.114 local terms energy: -59.044890 where: bonds (distance) C4'-P energy: -15.944 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -9.955 tors. eta vs tors. theta energy: -6.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -150.366820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.366820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.366820 (E_RNA) where: Base-Base interactions energy: -87.764 where: short stacking energy: -52.901 Base-Backbone interact. energy: -0.542 local terms energy: -62.060540 where: bonds (distance) C4'-P energy: -12.381 bonds (distance) P-C4' energy: -14.492 flat angles C4'-P-C4' energy: -12.434 flat angles P-C4'-P energy: -8.739 tors. eta vs tors. theta energy: -14.014 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: 3 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -155.239738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.239738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.239738 (E_RNA) where: Base-Base interactions energy: -89.411 where: short stacking energy: -56.562 Base-Backbone interact. energy: -0.022 local terms energy: -65.807326 where: bonds (distance) C4'-P energy: -12.861 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -12.691 flat angles P-C4'-P energy: -9.697 tors. eta vs tors. theta energy: -16.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -105.843546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.843546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.843546 (E_RNA) where: Base-Base interactions energy: -43.689 where: short stacking energy: -43.689 Base-Backbone interact. energy: -0.149 local terms energy: -62.005292 where: bonds (distance) C4'-P energy: -13.203 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -13.880 flat angles P-C4'-P energy: -7.119 tors. eta vs tors. theta energy: -14.300 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: 5, replica: 4 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -130.903361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.903361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.903361 (E_RNA) where: Base-Base interactions energy: -76.593 where: short stacking energy: -44.823 Base-Backbone interact. energy: 0.512 local terms energy: -54.822003 where: bonds (distance) C4'-P energy: -11.428 bonds (distance) P-C4' energy: -12.327 flat angles C4'-P-C4' energy: -13.855 flat angles P-C4'-P energy: -10.112 tors. eta vs tors. theta energy: -7.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -122.655640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.655640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.655640 (E_RNA) where: Base-Base interactions energy: -70.602 where: short stacking energy: -34.886 Base-Backbone interact. energy: -1.054 local terms energy: -51.000371 where: bonds (distance) C4'-P energy: -9.956 bonds (distance) P-C4' energy: -10.256 flat angles C4'-P-C4' energy: -15.576 flat angles P-C4'-P energy: -4.732 tors. eta vs tors. theta energy: -10.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -80.597976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.597976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.597976 (E_RNA) where: Base-Base interactions energy: -38.988 where: short stacking energy: -38.988 Base-Backbone interact. energy: -0.054 local terms energy: -41.556322 where: bonds (distance) C4'-P energy: -12.553 bonds (distance) P-C4' energy: -8.269 flat angles C4'-P-C4' energy: -10.440 flat angles P-C4'-P energy: -7.449 tors. eta vs tors. theta energy: -2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -73.869526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.869526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.869526 (E_RNA) where: Base-Base interactions energy: -34.142 where: short stacking energy: -34.142 Base-Backbone interact. energy: 0.477 local terms energy: -40.204113 where: bonds (distance) C4'-P energy: -12.053 bonds (distance) P-C4' energy: -10.815 flat angles C4'-P-C4' energy: -11.048 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -1.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -80.513748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.513748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.513748 (E_RNA) where: Base-Base interactions energy: -37.296 where: short stacking energy: -36.596 Base-Backbone interact. energy: 0.888 local terms energy: -44.105924 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -13.127 flat angles C4'-P-C4' energy: -13.920 flat angles P-C4'-P energy: -9.702 tors. eta vs tors. theta energy: -2.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -77.028146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.028146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.028146 (E_RNA) where: Base-Base interactions energy: -31.165 where: short stacking energy: -29.299 Base-Backbone interact. energy: -0.059 local terms energy: -45.804292 where: bonds (distance) C4'-P energy: -11.664 bonds (distance) P-C4' energy: -12.268 flat angles C4'-P-C4' energy: -12.269 flat angles P-C4'-P energy: -9.580 tors. eta vs tors. theta energy: -0.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -169.428955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.428955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.428955 (E_RNA) where: Base-Base interactions energy: -104.628 where: short stacking energy: -63.552 Base-Backbone interact. energy: -0.535 local terms energy: -64.266497 where: bonds (distance) C4'-P energy: -12.596 bonds (distance) P-C4' energy: -12.866 flat angles C4'-P-C4' energy: -11.736 flat angles P-C4'-P energy: -9.687 tors. eta vs tors. theta energy: -17.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -144.180057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.180057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.180057 (E_RNA) where: Base-Base interactions energy: -86.166 where: short stacking energy: -56.426 Base-Backbone interact. energy: 0.473 local terms energy: -58.486878 where: bonds (distance) C4'-P energy: -9.674 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -13.489 flat angles P-C4'-P energy: -8.629 tors. eta vs tors. theta energy: -13.452 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: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -155.143382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.143382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.143382 (E_RNA) where: Base-Base interactions energy: -94.060 where: short stacking energy: -64.570 Base-Backbone interact. energy: -0.001 local terms energy: -61.081967 where: bonds (distance) C4'-P energy: -14.533 bonds (distance) P-C4' energy: -12.016 flat angles C4'-P-C4' energy: -13.447 flat angles P-C4'-P energy: -7.918 tors. eta vs tors. theta energy: -13.168 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: 4, replica: 4 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -133.435312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.435312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.435312 (E_RNA) where: Base-Base interactions energy: -82.351 where: short stacking energy: -51.996 Base-Backbone interact. energy: -0.028 local terms energy: -51.056065 where: bonds (distance) C4'-P energy: -12.857 bonds (distance) P-C4' energy: -14.180 flat angles C4'-P-C4' energy: -9.741 flat angles P-C4'-P energy: -6.735 tors. eta vs tors. theta energy: -7.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -97.814953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.814953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.814953 (E_RNA) where: Base-Base interactions energy: -48.090 where: short stacking energy: -48.090 Base-Backbone interact. energy: -0.001 local terms energy: -49.723571 where: bonds (distance) C4'-P energy: -11.407 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -7.753 tors. eta vs tors. theta energy: -10.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -98.265123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.265123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.265123 (E_RNA) where: Base-Base interactions energy: -52.999 where: short stacking energy: -31.648 Base-Backbone interact. energy: 0.810 local terms energy: -46.076295 where: bonds (distance) C4'-P energy: -14.301 bonds (distance) P-C4' energy: -13.624 flat angles C4'-P-C4' energy: -11.748 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -1.637 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: 7, replica: 7 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -83.674418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.674418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.674418 (E_RNA) where: Base-Base interactions energy: -37.119 where: short stacking energy: -37.119 Base-Backbone interact. energy: -0.081 local terms energy: -46.474682 where: bonds (distance) C4'-P energy: -11.076 bonds (distance) P-C4' energy: -10.833 flat angles C4'-P-C4' energy: -10.698 flat angles P-C4'-P energy: -7.509 tors. eta vs tors. theta energy: -6.358 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: 8, replica: 1 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -87.649244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.649244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.649244 (E_RNA) where: Base-Base interactions energy: -36.381 where: short stacking energy: -36.381 Base-Backbone interact. energy: -0.216 local terms energy: -51.052308 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -13.690 flat angles C4'-P-C4' energy: -12.750 flat angles P-C4'-P energy: -7.244 tors. eta vs tors. theta energy: -7.500 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: 5 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -77.496068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.496068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.496068 (E_RNA) where: Base-Base interactions energy: -26.680 where: short stacking energy: -26.680 Base-Backbone interact. energy: -0.022 local terms energy: -50.793662 where: bonds (distance) C4'-P energy: -11.432 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -10.686 flat angles P-C4'-P energy: -7.688 tors. eta vs tors. theta energy: -7.434 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: 10, replica: 9 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -81.848262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.848262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.848262 (E_RNA) where: Base-Base interactions energy: -28.711 where: short stacking energy: -28.711 Base-Backbone interact. energy: -0.134 local terms energy: -53.003389 where: bonds (distance) C4'-P energy: -12.851 bonds (distance) P-C4' energy: -14.078 flat angles C4'-P-C4' energy: -13.824 flat angles P-C4'-P energy: -8.854 tors. eta vs tors. theta energy: -3.397 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: 2 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -179.980648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.980648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.980648 (E_RNA) where: Base-Base interactions energy: -108.642 where: short stacking energy: -68.865 Base-Backbone interact. energy: -0.001 local terms energy: -71.338153 where: bonds (distance) C4'-P energy: -14.053 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -12.552 flat angles P-C4'-P energy: -10.567 tors. eta vs tors. theta energy: -18.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -145.088568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.088568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.088568 (E_RNA) where: Base-Base interactions energy: -87.147 where: short stacking energy: -57.954 Base-Backbone interact. energy: -0.320 local terms energy: -57.622087 where: bonds (distance) C4'-P energy: -13.846 bonds (distance) P-C4' energy: -13.654 flat angles C4'-P-C4' energy: -12.714 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -12.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -134.095258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.095258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.095258 (E_RNA) where: Base-Base interactions energy: -75.399 where: short stacking energy: -52.531 Base-Backbone interact. energy: -0.090 local terms energy: -58.607033 where: bonds (distance) C4'-P energy: -13.613 bonds (distance) P-C4' energy: -12.328 flat angles C4'-P-C4' energy: -13.206 flat angles P-C4'-P energy: -8.053 tors. eta vs tors. theta energy: -11.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -142.489885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.489885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.489885 (E_RNA) where: Base-Base interactions energy: -89.018 where: short stacking energy: -48.775 Base-Backbone interact. energy: -0.034 local terms energy: -53.437671 where: bonds (distance) C4'-P energy: -11.512 bonds (distance) P-C4' energy: -14.050 flat angles C4'-P-C4' energy: -10.661 flat angles P-C4'-P energy: -5.455 tors. eta vs tors. theta energy: -11.760 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: 10 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -102.706594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.706594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.706594 (E_RNA) where: Base-Base interactions energy: -52.623 where: short stacking energy: -38.006 Base-Backbone interact. energy: -0.007 local terms energy: -50.076692 where: bonds (distance) C4'-P energy: -12.592 bonds (distance) P-C4' energy: -10.293 flat angles C4'-P-C4' energy: -11.506 flat angles P-C4'-P energy: -7.792 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: 6, replica: 8 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -106.902843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.902843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.902843 (E_RNA) where: Base-Base interactions energy: -47.082 where: short stacking energy: -47.066 Base-Backbone interact. energy: -0.036 local terms energy: -59.784030 where: bonds (distance) C4'-P energy: -12.282 bonds (distance) P-C4' energy: -11.455 flat angles C4'-P-C4' energy: -14.725 flat angles P-C4'-P energy: -10.930 tors. eta vs tors. theta energy: -10.391 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: 7, replica: 1 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -77.314885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.314885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.314885 (E_RNA) where: Base-Base interactions energy: -37.096 where: short stacking energy: -32.736 Base-Backbone interact. energy: -0.290 local terms energy: -39.928789 where: bonds (distance) C4'-P energy: -9.007 bonds (distance) P-C4' energy: -8.494 flat angles C4'-P-C4' energy: -9.488 flat angles P-C4'-P energy: -8.133 tors. eta vs tors. theta energy: -4.808 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: 436 Temperature: 1.250000 Total energy: -91.349235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.349235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.349235 (E_RNA) where: Base-Base interactions energy: -45.197 where: short stacking energy: -41.717 Base-Backbone interact. energy: 0.489 local terms energy: -46.641369 where: bonds (distance) C4'-P energy: -10.861 bonds (distance) P-C4' energy: -11.867 flat angles C4'-P-C4' energy: -9.891 flat angles P-C4'-P energy: -9.764 tors. eta vs tors. theta energy: -4.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -69.916280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.916280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.916280 (E_RNA) where: Base-Base interactions energy: -34.325 where: short stacking energy: -32.424 Base-Backbone interact. energy: -0.219 local terms energy: -35.372301 where: bonds (distance) C4'-P energy: -9.222 bonds (distance) P-C4' energy: -8.698 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -10.276 tors. eta vs tors. theta energy: -1.239 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: 5 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -73.082184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.082184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.082184 (E_RNA) where: Base-Base interactions energy: -32.102 where: short stacking energy: -17.098 Base-Backbone interact. energy: -1.044 local terms energy: -39.936436 where: bonds (distance) C4'-P energy: -12.952 bonds (distance) P-C4' energy: -13.649 flat angles C4'-P-C4' energy: -9.623 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: 0.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -166.435210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.435210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.435210 (E_RNA) where: Base-Base interactions energy: -101.119 where: short stacking energy: -58.170 Base-Backbone interact. energy: -0.000 local terms energy: -65.315521 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -12.950 flat angles C4'-P-C4' energy: -16.082 flat angles P-C4'-P energy: -6.337 tors. eta vs tors. theta energy: -15.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -150.753920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.753920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.753920 (E_RNA) where: Base-Base interactions energy: -89.021 where: short stacking energy: -59.735 Base-Backbone interact. energy: -0.000 local terms energy: -61.732342 where: bonds (distance) C4'-P energy: -14.529 bonds (distance) P-C4' energy: -12.164 flat angles C4'-P-C4' energy: -11.686 flat angles P-C4'-P energy: -8.589 tors. eta vs tors. theta energy: -14.764 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: 4 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -151.346320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.346320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.346320 (E_RNA) where: Base-Base interactions energy: -86.942 where: short stacking energy: -60.481 Base-Backbone interact. energy: -0.017 local terms energy: -64.387106 where: bonds (distance) C4'-P energy: -13.433 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -13.481 flat angles P-C4'-P energy: -11.258 tors. eta vs tors. theta energy: -12.985 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: 3 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -137.960357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.960357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.960357 (E_RNA) where: Base-Base interactions energy: -83.079 where: short stacking energy: -44.910 Base-Backbone interact. energy: -0.570 local terms energy: -54.312088 where: bonds (distance) C4'-P energy: -12.557 bonds (distance) P-C4' energy: -15.016 flat angles C4'-P-C4' energy: -9.003 flat angles P-C4'-P energy: -11.194 tors. eta vs tors. theta energy: -6.542 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: 10 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -92.626496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.626496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.626496 (E_RNA) where: Base-Base interactions energy: -40.381 where: short stacking energy: -39.918 Base-Backbone interact. energy: -0.010 local terms energy: -52.235338 where: bonds (distance) C4'-P energy: -12.123 bonds (distance) P-C4' energy: -13.029 flat angles C4'-P-C4' energy: -10.808 flat angles P-C4'-P energy: -8.010 tors. eta vs tors. theta energy: -8.265 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: 1 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -91.000322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.000322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.000322 (E_RNA) where: Base-Base interactions energy: -36.907 where: short stacking energy: -31.216 Base-Backbone interact. energy: -0.005 local terms energy: -54.088873 where: bonds (distance) C4'-P energy: -10.492 bonds (distance) P-C4' energy: -13.492 flat angles C4'-P-C4' energy: -10.819 flat angles P-C4'-P energy: -7.910 tors. eta vs tors. theta energy: -11.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -94.471573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.471573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.471573 (E_RNA) where: Base-Base interactions energy: -42.482 where: short stacking energy: -40.178 Base-Backbone interact. energy: -0.143 local terms energy: -51.846836 where: bonds (distance) C4'-P energy: -13.970 bonds (distance) P-C4' energy: -10.560 flat angles C4'-P-C4' energy: -14.056 flat angles P-C4'-P energy: -6.910 tors. eta vs tors. theta energy: -6.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -77.299203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.299203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.299203 (E_RNA) where: Base-Base interactions energy: -32.531 where: short stacking energy: -27.535 Base-Backbone interact. energy: -0.135 local terms energy: -44.633848 where: bonds (distance) C4'-P energy: -9.743 bonds (distance) P-C4' energy: -15.355 flat angles C4'-P-C4' energy: -9.719 flat angles P-C4'-P energy: -9.862 tors. eta vs tors. theta energy: 0.044 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: 7 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -70.173222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.173222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.173222 (E_RNA) where: Base-Base interactions energy: -27.809 where: short stacking energy: -23.480 Base-Backbone interact. energy: -0.396 local terms energy: -41.968190 where: bonds (distance) C4'-P energy: -12.372 bonds (distance) P-C4' energy: -13.204 flat angles C4'-P-C4' energy: -10.506 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -3.116 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: 10, replica: 5 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -86.627877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.627877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.627877 (E_RNA) where: Base-Base interactions energy: -38.971 where: short stacking energy: -36.069 Base-Backbone interact. energy: -0.252 local terms energy: -47.404494 where: bonds (distance) C4'-P energy: -10.641 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -13.467 flat angles P-C4'-P energy: -6.651 tors. eta vs tors. theta energy: -9.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -164.479596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.479596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.479596 (E_RNA) where: Base-Base interactions energy: -98.425 where: short stacking energy: -61.604 Base-Backbone interact. energy: -0.001 local terms energy: -66.054111 where: bonds (distance) C4'-P energy: -12.666 bonds (distance) P-C4' energy: -13.624 flat angles C4'-P-C4' energy: -12.563 flat angles P-C4'-P energy: -10.937 tors. eta vs tors. theta energy: -16.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -139.021302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.021302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.021302 (E_RNA) where: Base-Base interactions energy: -80.587 where: short stacking energy: -47.800 Base-Backbone interact. energy: -1.813 local terms energy: -56.621443 where: bonds (distance) C4'-P energy: -9.578 bonds (distance) P-C4' energy: -9.738 flat angles C4'-P-C4' energy: -13.387 flat angles P-C4'-P energy: -12.382 tors. eta vs tors. theta energy: -11.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -148.223923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.223923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.223923 (E_RNA) where: Base-Base interactions energy: -84.865 where: short stacking energy: -50.738 Base-Backbone interact. energy: -0.287 local terms energy: -63.071711 where: bonds (distance) C4'-P energy: -8.587 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -14.867 flat angles P-C4'-P energy: -10.204 tors. eta vs tors. theta energy: -14.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -144.614467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.614467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.614467 (E_RNA) where: Base-Base interactions energy: -82.967 where: short stacking energy: -55.257 Base-Backbone interact. energy: -0.191 local terms energy: -61.456618 where: bonds (distance) C4'-P energy: -13.437 bonds (distance) P-C4' energy: -13.929 flat angles C4'-P-C4' energy: -12.107 flat angles P-C4'-P energy: -11.545 tors. eta vs tors. theta energy: -10.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -98.498437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.498437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.498437 (E_RNA) where: Base-Base interactions energy: -46.076 where: short stacking energy: -46.076 Base-Backbone interact. energy: -0.117 local terms energy: -52.304495 where: bonds (distance) C4'-P energy: -10.944 bonds (distance) P-C4' energy: -12.056 flat angles C4'-P-C4' energy: -10.597 flat angles P-C4'-P energy: -11.032 tors. eta vs tors. theta energy: -7.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -121.633819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.633819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.633819 (E_RNA) where: Base-Base interactions energy: -68.918 where: short stacking energy: -37.684 Base-Backbone interact. energy: -0.784 local terms energy: -51.931806 where: bonds (distance) C4'-P energy: -9.747 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -11.744 flat angles P-C4'-P energy: -4.914 tors. eta vs tors. theta energy: -11.074 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: 9 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -76.748798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.748798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.748798 (E_RNA) where: Base-Base interactions energy: -24.648 where: short stacking energy: -17.756 Base-Backbone interact. energy: -0.068 local terms energy: -52.032936 where: bonds (distance) C4'-P energy: -14.053 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -12.723 flat angles P-C4'-P energy: -11.954 tors. eta vs tors. theta energy: 0.631 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: 438 Temperature: 1.250000 Total energy: -90.452559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.452559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.452559 (E_RNA) where: Base-Base interactions energy: -42.038 where: short stacking energy: -39.637 Base-Backbone interact. energy: -0.000 local terms energy: -48.414315 where: bonds (distance) C4'-P energy: -13.145 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -8.661 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -7.270 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: 5 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -74.856231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.856231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.856231 (E_RNA) where: Base-Base interactions energy: -28.821 where: short stacking energy: -28.821 Base-Backbone interact. energy: -0.679 local terms energy: -45.356478 where: bonds (distance) C4'-P energy: -10.207 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -8.937 flat angles P-C4'-P energy: -8.282 tors. eta vs tors. theta energy: -3.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -69.197010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.197010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.197010 (E_RNA) where: Base-Base interactions energy: -31.861 where: short stacking energy: -30.209 Base-Backbone interact. energy: -0.129 local terms energy: -37.207086 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -7.470 flat angles C4'-P-C4' energy: -13.580 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -3.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -163.949599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.949599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.949599 (E_RNA) where: Base-Base interactions energy: -96.783 where: short stacking energy: -60.578 Base-Backbone interact. energy: -0.447 local terms energy: -66.719424 where: bonds (distance) C4'-P energy: -12.380 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -12.163 flat angles P-C4'-P energy: -8.531 tors. eta vs tors. theta energy: -18.344 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: 6 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -150.102853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.102853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.102853 (E_RNA) where: Base-Base interactions energy: -88.864 where: short stacking energy: -48.786 Base-Backbone interact. energy: -0.100 local terms energy: -61.138740 where: bonds (distance) C4'-P energy: -12.752 bonds (distance) P-C4' energy: -14.458 flat angles C4'-P-C4' energy: -12.868 flat angles P-C4'-P energy: -11.123 tors. eta vs tors. theta energy: -9.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -137.839989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.839989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.839989 (E_RNA) where: Base-Base interactions energy: -84.868 where: short stacking energy: -52.384 Base-Backbone interact. energy: -1.220 local terms energy: -51.752048 where: bonds (distance) C4'-P energy: -10.177 bonds (distance) P-C4' energy: -14.075 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: -8.786 tors. eta vs tors. theta energy: -11.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -147.383205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.383205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.383205 (E_RNA) where: Base-Base interactions energy: -82.034 where: short stacking energy: -52.680 Base-Backbone interact. energy: -0.085 local terms energy: -65.263864 where: bonds (distance) C4'-P energy: -11.175 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -14.546 flat angles P-C4'-P energy: -10.572 tors. eta vs tors. theta energy: -14.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -105.345705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.345705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.345705 (E_RNA) where: Base-Base interactions energy: -51.841 where: short stacking energy: -50.633 Base-Backbone interact. energy: -0.049 local terms energy: -53.455639 where: bonds (distance) C4'-P energy: -9.068 bonds (distance) P-C4' energy: -13.553 flat angles C4'-P-C4' energy: -12.897 flat angles P-C4'-P energy: -6.611 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: 6, replica: 9 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -90.294294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.294294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.294294 (E_RNA) where: Base-Base interactions energy: -41.850 where: short stacking energy: -41.850 Base-Backbone interact. energy: -0.085 local terms energy: -48.358634 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -10.593 flat angles P-C4'-P energy: -6.889 tors. eta vs tors. theta energy: -2.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -121.116697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.116697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.116697 (E_RNA) where: Base-Base interactions energy: -67.493 where: short stacking energy: -38.441 Base-Backbone interact. energy: -0.067 local terms energy: -53.557527 where: bonds (distance) C4'-P energy: -9.240 bonds (distance) P-C4' energy: -14.851 flat angles C4'-P-C4' energy: -14.155 flat angles P-C4'-P energy: -10.099 tors. eta vs tors. theta energy: -5.214 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: 439 Temperature: 1.250000 Total energy: -89.379051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.379051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.379051 (E_RNA) where: Base-Base interactions energy: -38.240 where: short stacking energy: -38.240 Base-Backbone interact. energy: -0.070 local terms energy: -51.068440 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -12.927 flat angles C4'-P-C4' energy: -10.912 flat angles P-C4'-P energy: -6.242 tors. eta vs tors. theta energy: -7.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -75.755884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.755884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.755884 (E_RNA) where: Base-Base interactions energy: -29.184 where: short stacking energy: -27.873 Base-Backbone interact. energy: -0.121 local terms energy: -46.451657 where: bonds (distance) C4'-P energy: -6.435 bonds (distance) P-C4' energy: -14.028 flat angles C4'-P-C4' energy: -13.492 flat angles P-C4'-P energy: -11.461 tors. eta vs tors. theta energy: -1.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -87.817128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.817128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.817128 (E_RNA) where: Base-Base interactions energy: -37.671 where: short stacking energy: -37.671 Base-Backbone interact. energy: -0.090 local terms energy: -50.056819 where: bonds (distance) C4'-P energy: -7.602 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -12.944 flat angles P-C4'-P energy: -9.640 tors. eta vs tors. theta energy: -6.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -160.922199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.922199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.922199 (E_RNA) where: Base-Base interactions energy: -98.329 where: short stacking energy: -61.106 Base-Backbone interact. energy: -0.000 local terms energy: -62.592638 where: bonds (distance) C4'-P energy: -12.032 bonds (distance) P-C4' energy: -12.275 flat angles C4'-P-C4' energy: -11.601 flat angles P-C4'-P energy: -10.601 tors. eta vs tors. theta energy: -16.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -148.925704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.925704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.925704 (E_RNA) where: Base-Base interactions energy: -87.079 where: short stacking energy: -50.767 Base-Backbone interact. energy: -0.391 local terms energy: -61.456310 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -14.869 flat angles P-C4'-P energy: -9.865 tors. eta vs tors. theta energy: -11.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -143.869214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.869214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.869214 (E_RNA) where: Base-Base interactions energy: -85.607 where: short stacking energy: -46.800 Base-Backbone interact. energy: -0.674 local terms energy: -57.588581 where: bonds (distance) C4'-P energy: -12.701 bonds (distance) P-C4' energy: -13.297 flat angles C4'-P-C4' energy: -15.366 flat angles P-C4'-P energy: -7.021 tors. eta vs tors. theta energy: -9.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -141.694275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.694275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.694275 (E_RNA) where: Base-Base interactions energy: -89.698 where: short stacking energy: -55.676 Base-Backbone interact. energy: -0.296 local terms energy: -51.700479 where: bonds (distance) C4'-P energy: -12.584 bonds (distance) P-C4' energy: -9.715 flat angles C4'-P-C4' energy: -12.578 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -12.852 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: 9 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -94.566341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.566341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.566341 (E_RNA) where: Base-Base interactions energy: -35.877 where: short stacking energy: -33.737 Base-Backbone interact. energy: -1.184 local terms energy: -57.505424 where: bonds (distance) C4'-P energy: -10.066 bonds (distance) P-C4' energy: -15.004 flat angles C4'-P-C4' energy: -15.062 flat angles P-C4'-P energy: -9.820 tors. eta vs tors. theta energy: -7.554 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: 1 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -87.218612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.218612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.218612 (E_RNA) where: Base-Base interactions energy: -40.648 where: short stacking energy: -40.648 Base-Backbone interact. energy: -0.084 local terms energy: -46.486099 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -10.135 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -8.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -106.385454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.385454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.385454 (E_RNA) where: Base-Base interactions energy: -60.406 where: short stacking energy: -27.752 Base-Backbone interact. energy: -1.097 local terms energy: -44.882807 where: bonds (distance) C4'-P energy: -12.670 bonds (distance) P-C4' energy: -11.795 flat angles C4'-P-C4' energy: -9.847 flat angles P-C4'-P energy: -7.288 tors. eta vs tors. theta energy: -3.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -84.037379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.037379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.037379 (E_RNA) where: Base-Base interactions energy: -41.458 where: short stacking energy: -41.458 Base-Backbone interact. energy: -0.157 local terms energy: -42.422452 where: bonds (distance) C4'-P energy: -7.440 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -9.294 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -11.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -73.327822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.327822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.327822 (E_RNA) where: Base-Base interactions energy: -27.083 where: short stacking energy: -26.578 Base-Backbone interact. energy: -0.292 local terms energy: -45.952952 where: bonds (distance) C4'-P energy: -12.430 bonds (distance) P-C4' energy: -10.153 flat angles C4'-P-C4' energy: -13.343 flat angles P-C4'-P energy: -8.444 tors. eta vs tors. theta energy: -1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -72.649748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.649748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.649748 (E_RNA) where: Base-Base interactions energy: -32.418 where: short stacking energy: -28.867 Base-Backbone interact. energy: -0.002 local terms energy: -40.229239 where: bonds (distance) C4'-P energy: -13.670 bonds (distance) P-C4' energy: -11.575 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -7.685 tors. eta vs tors. theta energy: -0.862 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: 2 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -156.458026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.458026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.458026 (E_RNA) where: Base-Base interactions energy: -88.304 where: short stacking energy: -58.348 Base-Backbone interact. energy: -0.017 local terms energy: -68.136963 where: bonds (distance) C4'-P energy: -14.996 bonds (distance) P-C4' energy: -14.636 flat angles C4'-P-C4' energy: -12.984 flat angles P-C4'-P energy: -10.370 tors. eta vs tors. theta energy: -15.151 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: 4 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -144.281723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.281723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.281723 (E_RNA) where: Base-Base interactions energy: -82.051 where: short stacking energy: -52.770 Base-Backbone interact. energy: -0.091 local terms energy: -62.139711 where: bonds (distance) C4'-P energy: -13.164 bonds (distance) P-C4' energy: -12.584 flat angles C4'-P-C4' energy: -14.211 flat angles P-C4'-P energy: -9.718 tors. eta vs tors. theta energy: -12.463 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: 6 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -134.486228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.486228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.486228 (E_RNA) where: Base-Base interactions energy: -74.661 where: short stacking energy: -44.819 Base-Backbone interact. energy: -0.647 local terms energy: -59.178110 where: bonds (distance) C4'-P energy: -14.807 bonds (distance) P-C4' energy: -13.850 flat angles C4'-P-C4' energy: -8.989 flat angles P-C4'-P energy: -11.105 tors. eta vs tors. theta energy: -10.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -113.102752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.102752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.102752 (E_RNA) where: Base-Base interactions energy: -54.110 where: short stacking energy: -47.808 Base-Backbone interact. energy: -1.265 local terms energy: -57.727802 where: bonds (distance) C4'-P energy: -11.080 bonds (distance) P-C4' energy: -14.170 flat angles C4'-P-C4' energy: -12.711 flat angles P-C4'-P energy: -9.354 tors. eta vs tors. theta energy: -10.413 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: 3 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -133.375377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.375377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.375377 (E_RNA) where: Base-Base interactions energy: -77.900 where: short stacking energy: -45.580 Base-Backbone interact. energy: -0.004 local terms energy: -55.471636 where: bonds (distance) C4'-P energy: -13.381 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -13.161 flat angles P-C4'-P energy: -5.491 tors. eta vs tors. theta energy: -9.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -111.100299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.100299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.100299 (E_RNA) where: Base-Base interactions energy: -51.537 where: short stacking energy: -51.537 Base-Backbone interact. energy: -0.103 local terms energy: -59.460676 where: bonds (distance) C4'-P energy: -10.648 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -11.940 flat angles P-C4'-P energy: -7.890 tors. eta vs tors. theta energy: -13.225 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: 1 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -88.277798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.277798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.277798 (E_RNA) where: Base-Base interactions energy: -42.075 where: short stacking energy: -34.274 Base-Backbone interact. energy: -0.087 local terms energy: -46.116565 where: bonds (distance) C4'-P energy: -8.120 bonds (distance) P-C4' energy: -12.986 flat angles C4'-P-C4' energy: -10.722 flat angles P-C4'-P energy: -8.206 tors. eta vs tors. theta energy: -6.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -78.823701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.823701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.823701 (E_RNA) where: Base-Base interactions energy: -32.226 where: short stacking energy: -32.226 Base-Backbone interact. energy: -0.420 local terms energy: -46.177605 where: bonds (distance) C4'-P energy: -10.865 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -11.334 flat angles P-C4'-P energy: -6.494 tors. eta vs tors. theta energy: -2.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -94.598778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.598778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.598778 (E_RNA) where: Base-Base interactions energy: -44.474 where: short stacking energy: -28.634 Base-Backbone interact. energy: -0.729 local terms energy: -49.395208 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -9.088 tors. eta vs tors. theta energy: -5.119 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: 5 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -69.682775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.682775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.682775 (E_RNA) where: Base-Base interactions energy: -24.335 where: short stacking energy: -22.682 Base-Backbone interact. energy: -0.267 local terms energy: -45.080260 where: bonds (distance) C4'-P energy: -10.678 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -13.525 flat angles P-C4'-P energy: -7.407 tors. eta vs tors. theta energy: 0.006 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: 4 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -163.738881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.738881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.738881 (E_RNA) where: Base-Base interactions energy: -101.989 where: short stacking energy: -60.005 Base-Backbone interact. energy: -0.413 local terms energy: -61.336823 where: bonds (distance) C4'-P energy: -12.347 bonds (distance) P-C4' energy: -14.958 flat angles C4'-P-C4' energy: -13.016 flat angles P-C4'-P energy: -9.478 tors. eta vs tors. theta energy: -11.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -155.541957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.541957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.541957 (E_RNA) where: Base-Base interactions energy: -90.441 where: short stacking energy: -64.878 Base-Backbone interact. energy: -0.096 local terms energy: -65.005035 where: bonds (distance) C4'-P energy: -13.730 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -12.188 flat angles P-C4'-P energy: -11.213 tors. eta vs tors. theta energy: -13.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -136.463768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.463768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.463768 (E_RNA) where: Base-Base interactions energy: -79.896 where: short stacking energy: -60.163 Base-Backbone interact. energy: -0.032 local terms energy: -56.536269 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -13.353 flat angles C4'-P-C4' energy: -11.375 flat angles P-C4'-P energy: -7.435 tors. eta vs tors. theta energy: -12.324 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: 9 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -116.003678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.003678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.003678 (E_RNA) where: Base-Base interactions energy: -64.071 where: short stacking energy: -45.226 Base-Backbone interact. energy: -0.862 local terms energy: -51.069824 where: bonds (distance) C4'-P energy: -11.093 bonds (distance) P-C4' energy: -10.247 flat angles C4'-P-C4' energy: -10.484 flat angles P-C4'-P energy: -10.979 tors. eta vs tors. theta energy: -8.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -132.235516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.235516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.235516 (E_RNA) where: Base-Base interactions energy: -82.781 where: short stacking energy: -51.160 Base-Backbone interact. energy: 1.550 local terms energy: -51.004653 where: bonds (distance) C4'-P energy: -10.927 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -8.844 tors. eta vs tors. theta energy: -11.054 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: 10 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -91.473620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.473620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.473620 (E_RNA) where: Base-Base interactions energy: -47.290 where: short stacking energy: -37.910 Base-Backbone interact. energy: 0.752 local terms energy: -44.935655 where: bonds (distance) C4'-P energy: -10.472 bonds (distance) P-C4' energy: -13.815 flat angles C4'-P-C4' energy: -13.328 flat angles P-C4'-P energy: -5.770 tors. eta vs tors. theta energy: -1.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -89.209675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.209675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.209675 (E_RNA) where: Base-Base interactions energy: -40.077 where: short stacking energy: -38.438 Base-Backbone interact. energy: -0.021 local terms energy: -49.110995 where: bonds (distance) C4'-P energy: -8.054 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -7.523 flat angles P-C4'-P energy: -9.241 tors. eta vs tors. theta energy: -9.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -81.277071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.277071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.277071 (E_RNA) where: Base-Base interactions energy: -28.901 where: short stacking energy: -28.901 Base-Backbone interact. energy: -0.092 local terms energy: -52.283682 where: bonds (distance) C4'-P energy: -7.810 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -12.652 flat angles P-C4'-P energy: -10.538 tors. eta vs tors. theta energy: -5.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -73.471561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.471561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.471561 (E_RNA) where: Base-Base interactions energy: -23.274 where: short stacking energy: -23.274 Base-Backbone interact. energy: -0.083 local terms energy: -50.114642 where: bonds (distance) C4'-P energy: -13.110 bonds (distance) P-C4' energy: -13.214 flat angles C4'-P-C4' energy: -13.722 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: -4.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -74.278023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.278023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.278023 (E_RNA) where: Base-Base interactions energy: -30.667 where: short stacking energy: -21.037 Base-Backbone interact. energy: -0.181 local terms energy: -43.429996 where: bonds (distance) C4'-P energy: -13.323 bonds (distance) P-C4' energy: -12.094 flat angles C4'-P-C4' energy: -11.624 flat angles P-C4'-P energy: -6.028 tors. eta vs tors. theta energy: -0.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -163.888153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.888153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.888153 (E_RNA) where: Base-Base interactions energy: -98.805 where: short stacking energy: -59.857 Base-Backbone interact. energy: -0.001 local terms energy: -65.081668 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -13.546 flat angles P-C4'-P energy: -9.138 tors. eta vs tors. theta energy: -15.817 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: 6 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -154.300419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.300419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.300419 (E_RNA) where: Base-Base interactions energy: -87.809 where: short stacking energy: -60.992 Base-Backbone interact. energy: -0.000 local terms energy: -66.490836 where: bonds (distance) C4'-P energy: -13.254 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -11.547 flat angles P-C4'-P energy: -11.558 tors. eta vs tors. theta energy: -15.302 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: 2 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -144.294491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.294491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.294491 (E_RNA) where: Base-Base interactions energy: -86.605 where: short stacking energy: -53.089 Base-Backbone interact. energy: -0.006 local terms energy: -57.682765 where: bonds (distance) C4'-P energy: -13.333 bonds (distance) P-C4' energy: -12.168 flat angles C4'-P-C4' energy: -8.860 flat angles P-C4'-P energy: -9.914 tors. eta vs tors. theta energy: -13.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -132.889359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.889359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.889359 (E_RNA) where: Base-Base interactions energy: -77.462 where: short stacking energy: -48.900 Base-Backbone interact. energy: -0.079 local terms energy: -55.348389 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -10.796 flat angles C4'-P-C4' energy: -11.613 flat angles P-C4'-P energy: -11.316 tors. eta vs tors. theta energy: -8.747 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: 9 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -105.490637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.490637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.490637 (E_RNA) where: Base-Base interactions energy: -49.622 where: short stacking energy: -39.406 Base-Backbone interact. energy: 2.845 local terms energy: -58.714085 where: bonds (distance) C4'-P energy: -14.155 bonds (distance) P-C4' energy: -14.629 flat angles C4'-P-C4' energy: -14.118 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -9.803 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: 7 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -92.570550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.570550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.570550 (E_RNA) where: Base-Base interactions energy: -45.280 where: short stacking energy: -43.111 Base-Backbone interact. energy: -0.219 local terms energy: -47.071521 where: bonds (distance) C4'-P energy: -12.730 bonds (distance) P-C4' energy: -12.508 flat angles C4'-P-C4' energy: -14.763 flat angles P-C4'-P energy: -1.646 tors. eta vs tors. theta energy: -5.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -97.418897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.418897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.418897 (E_RNA) where: Base-Base interactions energy: -43.257 where: short stacking energy: -39.572 Base-Backbone interact. energy: -0.037 local terms energy: -54.124786 where: bonds (distance) C4'-P energy: -12.777 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -11.928 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: -10.782 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: 5 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -88.589341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.589341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.589341 (E_RNA) where: Base-Base interactions energy: -44.621 where: short stacking energy: -43.624 Base-Backbone interact. energy: -0.013 local terms energy: -43.955677 where: bonds (distance) C4'-P energy: -7.044 bonds (distance) P-C4' energy: -11.500 flat angles C4'-P-C4' energy: -11.802 flat angles P-C4'-P energy: -2.687 tors. eta vs tors. theta energy: -10.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -74.952082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.952082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.952082 (E_RNA) where: Base-Base interactions energy: -32.500 where: short stacking energy: -21.232 Base-Backbone interact. energy: -0.373 local terms energy: -42.078839 where: bonds (distance) C4'-P energy: -12.379 bonds (distance) P-C4' energy: -12.588 flat angles C4'-P-C4' energy: -11.982 flat angles P-C4'-P energy: -4.077 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: 10, replica: 8 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -73.243052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.243052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.243052 (E_RNA) where: Base-Base interactions energy: -31.618 where: short stacking energy: -31.618 Base-Backbone interact. energy: 1.220 local terms energy: -42.844728 where: bonds (distance) C4'-P energy: -10.243 bonds (distance) P-C4' energy: -15.792 flat angles C4'-P-C4' energy: -9.741 flat angles P-C4'-P energy: -7.538 tors. eta vs tors. theta energy: 0.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -157.117706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.117706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.117706 (E_RNA) where: Base-Base interactions energy: -97.070 where: short stacking energy: -64.331 Base-Backbone interact. energy: -0.046 local terms energy: -60.001828 where: bonds (distance) C4'-P energy: -13.257 bonds (distance) P-C4' energy: -10.676 flat angles C4'-P-C4' energy: -11.694 flat angles P-C4'-P energy: -9.103 tors. eta vs tors. theta energy: -15.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -176.185844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.185844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.185844 (E_RNA) where: Base-Base interactions energy: -108.972 where: short stacking energy: -64.429 Base-Backbone interact. energy: 0.443 local terms energy: -67.657315 where: bonds (distance) C4'-P energy: -14.425 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -12.316 flat angles P-C4'-P energy: -11.020 tors. eta vs tors. theta energy: -16.815 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: 2 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -157.378893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.378893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.378893 (E_RNA) where: Base-Base interactions energy: -95.648 where: short stacking energy: -52.657 Base-Backbone interact. energy: -0.002 local terms energy: -61.729332 where: bonds (distance) C4'-P energy: -13.332 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -12.795 flat angles P-C4'-P energy: -9.465 tors. eta vs tors. theta energy: -10.832 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: 3 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -132.115119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.115119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.115119 (E_RNA) where: Base-Base interactions energy: -79.149 where: short stacking energy: -51.176 Base-Backbone interact. energy: -0.078 local terms energy: -52.887441 where: bonds (distance) C4'-P energy: -11.115 bonds (distance) P-C4' energy: -15.112 flat angles C4'-P-C4' energy: -10.922 flat angles P-C4'-P energy: -6.629 tors. eta vs tors. theta energy: -9.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -120.231890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.231890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.231890 (E_RNA) where: Base-Base interactions energy: -60.097 where: short stacking energy: -45.269 Base-Backbone interact. energy: -0.094 local terms energy: -60.040593 where: bonds (distance) C4'-P energy: -12.889 bonds (distance) P-C4' energy: -14.488 flat angles C4'-P-C4' energy: -13.827 flat angles P-C4'-P energy: -8.602 tors. eta vs tors. theta energy: -10.235 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: 7 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -92.726738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.726738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.726738 (E_RNA) where: Base-Base interactions energy: -38.816 where: short stacking energy: -32.243 Base-Backbone interact. energy: -0.578 local terms energy: -53.332766 where: bonds (distance) C4'-P energy: -13.244 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -10.272 flat angles P-C4'-P energy: -10.859 tors. eta vs tors. theta energy: -4.100 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: 5 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -91.449071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.449071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.449071 (E_RNA) where: Base-Base interactions energy: -45.058 where: short stacking energy: -41.989 Base-Backbone interact. energy: -0.017 local terms energy: -46.374119 where: bonds (distance) C4'-P energy: -10.575 bonds (distance) P-C4' energy: -10.240 flat angles C4'-P-C4' energy: -9.889 flat angles P-C4'-P energy: -5.564 tors. eta vs tors. theta energy: -10.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -82.958499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.958499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.958499 (E_RNA) where: Base-Base interactions energy: -29.476 where: short stacking energy: -29.226 Base-Backbone interact. energy: -0.085 local terms energy: -53.397469 where: bonds (distance) C4'-P energy: -11.081 bonds (distance) P-C4' energy: -13.713 flat angles C4'-P-C4' energy: -14.215 flat angles P-C4'-P energy: -8.569 tors. eta vs tors. theta energy: -5.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -78.318184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.318184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.318184 (E_RNA) where: Base-Base interactions energy: -36.967 where: short stacking energy: -36.786 Base-Backbone interact. energy: 0.748 local terms energy: -42.099734 where: bonds (distance) C4'-P energy: -10.571 bonds (distance) P-C4' energy: -12.084 flat angles C4'-P-C4' energy: -6.510 flat angles P-C4'-P energy: -9.976 tors. eta vs tors. theta energy: -2.959 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: 1 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -72.326993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.326993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.326993 (E_RNA) where: Base-Base interactions energy: -26.089 where: short stacking energy: -26.089 Base-Backbone interact. energy: -0.108 local terms energy: -46.130029 where: bonds (distance) C4'-P energy: -12.045 bonds (distance) P-C4' energy: -13.820 flat angles C4'-P-C4' energy: -11.674 flat angles P-C4'-P energy: -6.311 tors. eta vs tors. theta energy: -2.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -161.716301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.716301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.716301 (E_RNA) where: Base-Base interactions energy: -92.092 where: short stacking energy: -61.127 Base-Backbone interact. energy: -0.001 local terms energy: -69.623252 where: bonds (distance) C4'-P energy: -13.995 bonds (distance) P-C4' energy: -15.933 flat angles C4'-P-C4' energy: -14.327 flat angles P-C4'-P energy: -9.213 tors. eta vs tors. theta energy: -16.156 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: 445 Temperature: 0.950000 Total energy: -166.766143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.766143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.766143 (E_RNA) where: Base-Base interactions energy: -107.048 where: short stacking energy: -69.652 Base-Backbone interact. energy: -0.002 local terms energy: -59.716108 where: bonds (distance) C4'-P energy: -10.667 bonds (distance) P-C4' energy: -13.082 flat angles C4'-P-C4' energy: -12.777 flat angles P-C4'-P energy: -10.363 tors. eta vs tors. theta energy: -12.827 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: 2 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -136.712458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.712458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.712458 (E_RNA) where: Base-Base interactions energy: -80.279 where: short stacking energy: -49.813 Base-Backbone interact. energy: -0.679 local terms energy: -55.754527 where: bonds (distance) C4'-P energy: -12.649 bonds (distance) P-C4' energy: -10.366 flat angles C4'-P-C4' energy: -13.131 flat angles P-C4'-P energy: -8.571 tors. eta vs tors. theta energy: -11.038 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: 4, replica: 9 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -126.328883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.328883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.328883 (E_RNA) where: Base-Base interactions energy: -84.286 where: short stacking energy: -51.629 Base-Backbone interact. energy: -0.118 local terms energy: -41.925267 where: bonds (distance) C4'-P energy: -8.215 bonds (distance) P-C4' energy: -11.046 flat angles C4'-P-C4' energy: -9.186 flat angles P-C4'-P energy: -7.108 tors. eta vs tors. theta energy: -6.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -118.718286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.718286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.718286 (E_RNA) where: Base-Base interactions energy: -74.540 where: short stacking energy: -42.405 Base-Backbone interact. energy: -0.023 local terms energy: -44.155749 where: bonds (distance) C4'-P energy: -8.939 bonds (distance) P-C4' energy: -12.532 flat angles C4'-P-C4' energy: -11.048 flat angles P-C4'-P energy: -6.758 tors. eta vs tors. theta energy: -4.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -131.805903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.805903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.805903 (E_RNA) where: Base-Base interactions energy: -77.355 where: short stacking energy: -43.872 Base-Backbone interact. energy: -0.000 local terms energy: -54.450591 where: bonds (distance) C4'-P energy: -13.254 bonds (distance) P-C4' energy: -11.969 flat angles C4'-P-C4' energy: -11.936 flat angles P-C4'-P energy: -8.511 tors. eta vs tors. theta energy: -8.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -90.299447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.299447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.299447 (E_RNA) where: Base-Base interactions energy: -44.755 where: short stacking energy: -44.755 Base-Backbone interact. energy: -0.056 local terms energy: -45.488906 where: bonds (distance) C4'-P energy: -12.356 bonds (distance) P-C4' energy: -11.701 flat angles C4'-P-C4' energy: -9.445 flat angles P-C4'-P energy: -7.469 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -81.878366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.878366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.878366 (E_RNA) where: Base-Base interactions energy: -34.674 where: short stacking energy: -29.628 Base-Backbone interact. energy: -0.131 local terms energy: -47.073725 where: bonds (distance) C4'-P energy: -15.241 bonds (distance) P-C4' energy: -12.081 flat angles C4'-P-C4' energy: -12.489 flat angles P-C4'-P energy: -3.626 tors. eta vs tors. theta energy: -3.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -81.566504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.566504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.566504 (E_RNA) where: Base-Base interactions energy: -33.952 where: short stacking energy: -22.774 Base-Backbone interact. energy: -1.157 local terms energy: -46.456541 where: bonds (distance) C4'-P energy: -12.128 bonds (distance) P-C4' energy: -9.467 flat angles C4'-P-C4' energy: -10.629 flat angles P-C4'-P energy: -11.322 tors. eta vs tors. theta energy: -2.911 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: 1 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -86.211439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.211439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.211439 (E_RNA) where: Base-Base interactions energy: -38.790 where: short stacking energy: -38.790 Base-Backbone interact. energy: -0.230 local terms energy: -47.191256 where: bonds (distance) C4'-P energy: -9.077 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -9.209 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -3.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -156.148888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.148888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.148888 (E_RNA) where: Base-Base interactions energy: -96.460 where: short stacking energy: -56.734 Base-Backbone interact. energy: -0.078 local terms energy: -59.611028 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -12.040 flat angles C4'-P-C4' energy: -13.710 flat angles P-C4'-P energy: -7.453 tors. eta vs tors. theta energy: -12.289 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: 6 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -143.118996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.118996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.118996 (E_RNA) where: Base-Base interactions energy: -87.066 where: short stacking energy: -55.744 Base-Backbone interact. energy: -0.004 local terms energy: -56.049111 where: bonds (distance) C4'-P energy: -12.305 bonds (distance) P-C4' energy: -12.940 flat angles C4'-P-C4' energy: -7.722 flat angles P-C4'-P energy: -9.184 tors. eta vs tors. theta energy: -13.898 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: 3, replica: 9 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -130.862143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.862143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.862143 (E_RNA) where: Base-Base interactions energy: -69.351 where: short stacking energy: -56.390 Base-Backbone interact. energy: -0.231 local terms energy: -61.279731 where: bonds (distance) C4'-P energy: -14.475 bonds (distance) P-C4' energy: -15.197 flat angles C4'-P-C4' energy: -12.747 flat angles P-C4'-P energy: -4.502 tors. eta vs tors. theta energy: -14.359 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: 4, replica: 2 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -135.935235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.935235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.935235 (E_RNA) where: Base-Base interactions energy: -77.904 where: short stacking energy: -51.707 Base-Backbone interact. energy: -0.268 local terms energy: -57.762786 where: bonds (distance) C4'-P energy: -11.564 bonds (distance) P-C4' energy: -12.693 flat angles C4'-P-C4' energy: -13.275 flat angles P-C4'-P energy: -7.505 tors. eta vs tors. theta energy: -12.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -126.376673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.376673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.376673 (E_RNA) where: Base-Base interactions energy: -70.463 where: short stacking energy: -49.460 Base-Backbone interact. energy: -0.136 local terms energy: -55.778531 where: bonds (distance) C4'-P energy: -12.906 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -12.750 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -9.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -125.579831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.579831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.579831 (E_RNA) where: Base-Base interactions energy: -70.941 where: short stacking energy: -42.994 Base-Backbone interact. energy: -0.177 local terms energy: -54.461613 where: bonds (distance) C4'-P energy: -11.242 bonds (distance) P-C4' energy: -14.336 flat angles C4'-P-C4' energy: -14.812 flat angles P-C4'-P energy: -7.979 tors. eta vs tors. theta energy: -6.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -93.826437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.826437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.826437 (E_RNA) where: Base-Base interactions energy: -41.435 where: short stacking energy: -41.535 Base-Backbone interact. energy: -0.208 local terms energy: -52.182555 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -14.500 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -6.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -95.955934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.955934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.955934 (E_RNA) where: Base-Base interactions energy: -43.298 where: short stacking energy: -41.902 Base-Backbone interact. energy: -0.109 local terms energy: -52.548443 where: bonds (distance) C4'-P energy: -11.016 bonds (distance) P-C4' energy: -9.504 flat angles C4'-P-C4' energy: -13.246 flat angles P-C4'-P energy: -11.329 tors. eta vs tors. theta energy: -7.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -81.628583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.628583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.628583 (E_RNA) where: Base-Base interactions energy: -32.053 where: short stacking energy: -32.053 Base-Backbone interact. energy: -0.060 local terms energy: -49.515842 where: bonds (distance) C4'-P energy: -12.681 bonds (distance) P-C4' energy: -11.489 flat angles C4'-P-C4' energy: -11.717 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -9.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -71.306515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.306515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.306515 (E_RNA) where: Base-Base interactions energy: -28.292 where: short stacking energy: -25.042 Base-Backbone interact. energy: 1.596 local terms energy: -44.610093 where: bonds (distance) C4'-P energy: -11.272 bonds (distance) P-C4' energy: -11.553 flat angles C4'-P-C4' energy: -13.212 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -4.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -156.485632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.485632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.485632 (E_RNA) where: Base-Base interactions energy: -93.815 where: short stacking energy: -58.469 Base-Backbone interact. energy: -0.661 local terms energy: -62.009766 where: bonds (distance) C4'-P energy: -12.107 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -10.855 flat angles P-C4'-P energy: -7.740 tors. eta vs tors. theta energy: -16.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -145.310604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.310604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.310604 (E_RNA) where: Base-Base interactions energy: -89.129 where: short stacking energy: -52.549 Base-Backbone interact. energy: -0.036 local terms energy: -56.146114 where: bonds (distance) C4'-P energy: -11.680 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -11.604 flat angles P-C4'-P energy: -10.681 tors. eta vs tors. theta energy: -9.333 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: 9 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -130.469310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.469310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.469310 (E_RNA) where: Base-Base interactions energy: -71.600 where: short stacking energy: -56.565 Base-Backbone interact. energy: -0.033 local terms energy: -58.836349 where: bonds (distance) C4'-P energy: -14.293 bonds (distance) P-C4' energy: -13.190 flat angles C4'-P-C4' energy: -13.167 flat angles P-C4'-P energy: -6.632 tors. eta vs tors. theta energy: -11.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -132.262747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.262747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.262747 (E_RNA) where: Base-Base interactions energy: -74.883 where: short stacking energy: -49.456 Base-Backbone interact. energy: -0.021 local terms energy: -57.358897 where: bonds (distance) C4'-P energy: -11.921 bonds (distance) P-C4' energy: -14.311 flat angles C4'-P-C4' energy: -11.336 flat angles P-C4'-P energy: -12.023 tors. eta vs tors. theta energy: -7.768 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: 5, replica: 2 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -139.858515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.858515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.858515 (E_RNA) where: Base-Base interactions energy: -82.952 where: short stacking energy: -49.926 Base-Backbone interact. energy: -0.119 local terms energy: -56.788099 where: bonds (distance) C4'-P energy: -11.933 bonds (distance) P-C4' energy: -13.159 flat angles C4'-P-C4' energy: -11.868 flat angles P-C4'-P energy: -8.296 tors. eta vs tors. theta energy: -11.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -117.677731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.677731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.677731 (E_RNA) where: Base-Base interactions energy: -69.157 where: short stacking energy: -40.843 Base-Backbone interact. energy: -0.038 local terms energy: -48.483056 where: bonds (distance) C4'-P energy: -8.651 bonds (distance) P-C4' energy: -11.760 flat angles C4'-P-C4' energy: -11.634 flat angles P-C4'-P energy: -7.467 tors. eta vs tors. theta energy: -8.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -80.964771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.964771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.964771 (E_RNA) where: Base-Base interactions energy: -41.425 where: short stacking energy: -39.645 Base-Backbone interact. energy: -0.024 local terms energy: -39.516093 where: bonds (distance) C4'-P energy: -10.932 bonds (distance) P-C4' energy: -11.504 flat angles C4'-P-C4' energy: -11.688 flat angles P-C4'-P energy: -1.583 tors. eta vs tors. theta energy: -3.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -76.318045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.318045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.318045 (E_RNA) where: Base-Base interactions energy: -27.342 where: short stacking energy: -27.342 Base-Backbone interact. energy: -0.103 local terms energy: -48.873203 where: bonds (distance) C4'-P energy: -11.572 bonds (distance) P-C4' energy: -13.614 flat angles C4'-P-C4' energy: -10.204 flat angles P-C4'-P energy: -8.542 tors. eta vs tors. theta energy: -4.942 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: 7 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -80.382816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.382816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.382816 (E_RNA) where: Base-Base interactions energy: -35.506 where: short stacking energy: -34.062 Base-Backbone interact. energy: -0.343 local terms energy: -44.534527 where: bonds (distance) C4'-P energy: -13.539 bonds (distance) P-C4' energy: -9.727 flat angles C4'-P-C4' energy: -10.857 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -4.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -75.900050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.900050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.900050 (E_RNA) where: Base-Base interactions energy: -31.178 where: short stacking energy: -31.178 Base-Backbone interact. energy: -0.099 local terms energy: -44.622234 where: bonds (distance) C4'-P energy: -10.252 bonds (distance) P-C4' energy: -10.207 flat angles C4'-P-C4' energy: -13.206 flat angles P-C4'-P energy: -8.321 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -157.269412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.269412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.269412 (E_RNA) where: Base-Base interactions energy: -92.800 where: short stacking energy: -58.190 Base-Backbone interact. energy: -0.043 local terms energy: -64.426593 where: bonds (distance) C4'-P energy: -11.619 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -10.106 tors. eta vs tors. theta energy: -14.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -141.581465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.581465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.581465 (E_RNA) where: Base-Base interactions energy: -87.381 where: short stacking energy: -53.741 Base-Backbone interact. energy: -0.010 local terms energy: -54.190620 where: bonds (distance) C4'-P energy: -10.298 bonds (distance) P-C4' energy: -13.093 flat angles C4'-P-C4' energy: -11.198 flat angles P-C4'-P energy: -8.480 tors. eta vs tors. theta energy: -11.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -140.661779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.661779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.661779 (E_RNA) where: Base-Base interactions energy: -89.276 where: short stacking energy: -52.044 Base-Backbone interact. energy: -0.056 local terms energy: -51.329913 where: bonds (distance) C4'-P energy: -10.586 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -11.638 flat angles P-C4'-P energy: -9.768 tors. eta vs tors. theta energy: -6.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -93.338265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.338265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.338265 (E_RNA) where: Base-Base interactions energy: -40.962 where: short stacking energy: -37.946 Base-Backbone interact. energy: -0.734 local terms energy: -51.642443 where: bonds (distance) C4'-P energy: -11.842 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -11.603 flat angles P-C4'-P energy: -7.770 tors. eta vs tors. theta energy: -6.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -149.957630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.957630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.957630 (E_RNA) where: Base-Base interactions energy: -88.846 where: short stacking energy: -62.932 Base-Backbone interact. energy: -0.061 local terms energy: -61.051011 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -13.196 flat angles C4'-P-C4' energy: -13.993 flat angles P-C4'-P energy: -6.267 tors. eta vs tors. theta energy: -14.619 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: 3 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -114.654625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.654625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.654625 (E_RNA) where: Base-Base interactions energy: -72.165 where: short stacking energy: -36.493 Base-Backbone interact. energy: 0.022 local terms energy: -42.511629 where: bonds (distance) C4'-P energy: -11.679 bonds (distance) P-C4' energy: -11.951 flat angles C4'-P-C4' energy: -11.608 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -2.747 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: 448 Temperature: 1.200000 Total energy: -89.906041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.906041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.906041 (E_RNA) where: Base-Base interactions energy: -33.296 where: short stacking energy: -30.768 Base-Backbone interact. energy: -0.035 local terms energy: -56.574610 where: bonds (distance) C4'-P energy: -13.651 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -12.652 flat angles P-C4'-P energy: -9.688 tors. eta vs tors. theta energy: -6.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -80.663863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.663863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.663863 (E_RNA) where: Base-Base interactions energy: -38.084 where: short stacking energy: -37.710 Base-Backbone interact. energy: -0.033 local terms energy: -42.546939 where: bonds (distance) C4'-P energy: -11.462 bonds (distance) P-C4' energy: -12.480 flat angles C4'-P-C4' energy: -12.195 flat angles P-C4'-P energy: -1.431 tors. eta vs tors. theta energy: -4.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -69.651494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.651494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.651494 (E_RNA) where: Base-Base interactions energy: -32.972 where: short stacking energy: -28.066 Base-Backbone interact. energy: -0.430 local terms energy: -36.249572 where: bonds (distance) C4'-P energy: -10.017 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -12.542 flat angles P-C4'-P energy: -4.042 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: 7 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -79.375584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.375584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.375584 (E_RNA) where: Base-Base interactions energy: -36.842 where: short stacking energy: -32.879 Base-Backbone interact. energy: -0.021 local terms energy: -42.512334 where: bonds (distance) C4'-P energy: -8.716 bonds (distance) P-C4' energy: -12.254 flat angles C4'-P-C4' energy: -11.058 flat angles P-C4'-P energy: -7.212 tors. eta vs tors. theta energy: -3.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -148.780230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.780230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.780230 (E_RNA) where: Base-Base interactions energy: -86.437 where: short stacking energy: -59.640 Base-Backbone interact. energy: -0.023 local terms energy: -62.320279 where: bonds (distance) C4'-P energy: -11.423 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -12.349 flat angles P-C4'-P energy: -9.027 tors. eta vs tors. theta energy: -15.118 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: 449 Temperature: 0.950000 Total energy: -141.799500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.799500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.799500 (E_RNA) where: Base-Base interactions energy: -79.251 where: short stacking energy: -43.699 Base-Backbone interact. energy: -0.048 local terms energy: -62.500060 where: bonds (distance) C4'-P energy: -11.445 bonds (distance) P-C4' energy: -16.200 flat angles C4'-P-C4' energy: -12.775 flat angles P-C4'-P energy: -10.090 tors. eta vs tors. theta energy: -11.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -156.807469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.807469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.807469 (E_RNA) where: Base-Base interactions energy: -90.385 where: short stacking energy: -54.318 Base-Backbone interact. energy: -0.000 local terms energy: -66.421831 where: bonds (distance) C4'-P energy: -11.279 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -15.596 flat angles P-C4'-P energy: -10.492 tors. eta vs tors. theta energy: -14.949 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: 2 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -142.405082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.405082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.405082 (E_RNA) where: Base-Base interactions energy: -85.575 where: short stacking energy: -54.230 Base-Backbone interact. energy: -0.014 local terms energy: -56.816144 where: bonds (distance) C4'-P energy: -11.403 bonds (distance) P-C4' energy: -13.773 flat angles C4'-P-C4' energy: -14.202 flat angles P-C4'-P energy: -8.003 tors. eta vs tors. theta energy: -9.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -110.269206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.269206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.269206 (E_RNA) where: Base-Base interactions energy: -55.572 where: short stacking energy: -41.250 Base-Backbone interact. energy: -0.033 local terms energy: -54.664457 where: bonds (distance) C4'-P energy: -11.503 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -13.790 flat angles P-C4'-P energy: -6.916 tors. eta vs tors. theta energy: -9.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -101.349722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.349722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.349722 (E_RNA) where: Base-Base interactions energy: -47.020 where: short stacking energy: -45.159 Base-Backbone interact. energy: -0.075 local terms energy: -54.255285 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -11.916 flat angles P-C4'-P energy: -10.531 tors. eta vs tors. theta energy: -11.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -117.958605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.958605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.958605 (E_RNA) where: Base-Base interactions energy: -72.926 where: short stacking energy: -44.568 Base-Backbone interact. energy: -0.019 local terms energy: -45.013653 where: bonds (distance) C4'-P energy: -9.059 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -10.353 flat angles P-C4'-P energy: -8.924 tors. eta vs tors. theta energy: -9.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -94.593416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.593416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.593416 (E_RNA) where: Base-Base interactions energy: -52.920 where: short stacking energy: -41.280 Base-Backbone interact. energy: -0.076 local terms energy: -41.597524 where: bonds (distance) C4'-P energy: -3.315 bonds (distance) P-C4' energy: -13.775 flat angles C4'-P-C4' energy: -13.298 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -7.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -84.180060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.180060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.180060 (E_RNA) where: Base-Base interactions energy: -34.587 where: short stacking energy: -34.587 Base-Backbone interact. energy: -0.008 local terms energy: -49.584932 where: bonds (distance) C4'-P energy: -9.727 bonds (distance) P-C4' energy: -8.378 flat angles C4'-P-C4' energy: -13.261 flat angles P-C4'-P energy: -9.761 tors. eta vs tors. theta energy: -8.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -74.878707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.878707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.878707 (E_RNA) where: Base-Base interactions energy: -28.698 where: short stacking energy: -28.698 Base-Backbone interact. energy: -0.077 local terms energy: -46.103447 where: bonds (distance) C4'-P energy: -11.883 bonds (distance) P-C4' energy: -12.868 flat angles C4'-P-C4' energy: -13.369 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -2.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -159.443158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.443158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.443158 (E_RNA) where: Base-Base interactions energy: -95.947 where: short stacking energy: -58.730 Base-Backbone interact. energy: 0.354 local terms energy: -63.850381 where: bonds (distance) C4'-P energy: -13.010 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -15.387 flat angles P-C4'-P energy: -10.476 tors. eta vs tors. theta energy: -11.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -147.876206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.876206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.876206 (E_RNA) where: Base-Base interactions energy: -96.301 where: short stacking energy: -51.547 Base-Backbone interact. energy: -0.445 local terms energy: -51.129562 where: bonds (distance) C4'-P energy: -11.001 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -14.640 flat angles P-C4'-P energy: -3.917 tors. eta vs tors. theta energy: -9.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -149.066468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.066468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.066468 (E_RNA) where: Base-Base interactions energy: -90.086 where: short stacking energy: -57.849 Base-Backbone interact. energy: -0.593 local terms energy: -58.387775 where: bonds (distance) C4'-P energy: -11.639 bonds (distance) P-C4' energy: -13.593 flat angles C4'-P-C4' energy: -9.838 flat angles P-C4'-P energy: -8.426 tors. eta vs tors. theta energy: -14.891 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: 4, replica: 5 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -144.721233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.721233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.721233 (E_RNA) where: Base-Base interactions energy: -84.749 where: short stacking energy: -52.016 Base-Backbone interact. energy: -0.114 local terms energy: -59.858264 where: bonds (distance) C4'-P energy: -12.106 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -13.440 flat angles P-C4'-P energy: -10.630 tors. eta vs tors. theta energy: -9.979 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: 8 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -103.830897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.830897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.830897 (E_RNA) where: Base-Base interactions energy: -49.170 where: short stacking energy: -44.976 Base-Backbone interact. energy: -0.101 local terms energy: -54.559515 where: bonds (distance) C4'-P energy: -11.605 bonds (distance) P-C4' energy: -12.070 flat angles C4'-P-C4' energy: -11.499 flat angles P-C4'-P energy: -11.869 tors. eta vs tors. theta energy: -7.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -82.447932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.447932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.447932 (E_RNA) where: Base-Base interactions energy: -35.875 where: short stacking energy: -35.247 Base-Backbone interact. energy: -0.357 local terms energy: -46.216261 where: bonds (distance) C4'-P energy: -13.436 bonds (distance) P-C4' energy: -10.753 flat angles C4'-P-C4' energy: -7.660 flat angles P-C4'-P energy: -11.101 tors. eta vs tors. theta energy: -3.265 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: 7, replica: 1 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -85.713284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.713284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.713284 (E_RNA) where: Base-Base interactions energy: -42.070 where: short stacking energy: -40.965 Base-Backbone interact. energy: 0.299 local terms energy: -43.941842 where: bonds (distance) C4'-P energy: -14.050 bonds (distance) P-C4' energy: -10.922 flat angles C4'-P-C4' energy: -7.782 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -7.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -99.547489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.547489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.547489 (E_RNA) where: Base-Base interactions energy: -54.916 where: short stacking energy: -29.277 Base-Backbone interact. energy: -0.046 local terms energy: -44.585195 where: bonds (distance) C4'-P energy: -12.952 bonds (distance) P-C4' energy: -10.028 flat angles C4'-P-C4' energy: -11.531 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -4.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -74.822736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.822736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.822736 (E_RNA) where: Base-Base interactions energy: -26.823 where: short stacking energy: -26.823 Base-Backbone interact. energy: -0.252 local terms energy: -47.746910 where: bonds (distance) C4'-P energy: -11.250 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -14.534 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -3.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -72.747614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.747614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.747614 (E_RNA) where: Base-Base interactions energy: -27.703 where: short stacking energy: -26.697 Base-Backbone interact. energy: -0.281 local terms energy: -44.763804 where: bonds (distance) C4'-P energy: -8.378 bonds (distance) P-C4' energy: -12.233 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -6.640 tors. eta vs tors. theta energy: -3.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -173.288145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.288145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.288145 (E_RNA) where: Base-Base interactions energy: -104.152 where: short stacking energy: -65.099 Base-Backbone interact. energy: -0.000 local terms energy: -69.135949 where: bonds (distance) C4'-P energy: -14.608 bonds (distance) P-C4' energy: -15.939 flat angles C4'-P-C4' energy: -12.895 flat angles P-C4'-P energy: -8.464 tors. eta vs tors. theta energy: -17.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -154.793993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.793993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.793993 (E_RNA) where: Base-Base interactions energy: -94.230 where: short stacking energy: -60.590 Base-Backbone interact. energy: -0.121 local terms energy: -60.443010 where: bonds (distance) C4'-P energy: -14.536 bonds (distance) P-C4' energy: -12.148 flat angles C4'-P-C4' energy: -12.943 flat angles P-C4'-P energy: -9.547 tors. eta vs tors. theta energy: -11.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -138.144141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.144141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.144141 (E_RNA) where: Base-Base interactions energy: -78.548 where: short stacking energy: -48.871 Base-Backbone interact. energy: -0.077 local terms energy: -59.518985 where: bonds (distance) C4'-P energy: -14.422 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -11.567 flat angles P-C4'-P energy: -9.003 tors. eta vs tors. theta energy: -9.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -134.848543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.848543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.848543 (E_RNA) where: Base-Base interactions energy: -73.120 where: short stacking energy: -47.104 Base-Backbone interact. energy: 0.022 local terms energy: -61.751420 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -14.455 flat angles C4'-P-C4' energy: -15.251 flat angles P-C4'-P energy: -10.885 tors. eta vs tors. theta energy: -8.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -102.063632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.063632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.063632 (E_RNA) where: Base-Base interactions energy: -42.639 where: short stacking energy: -42.639 Base-Backbone interact. energy: -0.421 local terms energy: -59.002799 where: bonds (distance) C4'-P energy: -13.083 bonds (distance) P-C4' energy: -16.000 flat angles C4'-P-C4' energy: -12.467 flat angles P-C4'-P energy: -8.564 tors. eta vs tors. theta energy: -8.889 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: 1 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -110.247230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.247230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.247230 (E_RNA) where: Base-Base interactions energy: -51.784 where: short stacking energy: -50.396 Base-Backbone interact. energy: -0.034 local terms energy: -58.428955 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -10.260 flat angles C4'-P-C4' energy: -15.132 flat angles P-C4'-P energy: -9.615 tors. eta vs tors. theta energy: -11.176 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: 9 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -98.905281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.905281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.905281 (E_RNA) where: Base-Base interactions energy: -49.904 where: short stacking energy: -42.735 Base-Backbone interact. energy: -1.379 local terms energy: -47.621759 where: bonds (distance) C4'-P energy: -7.275 bonds (distance) P-C4' energy: -12.793 flat angles C4'-P-C4' energy: -11.413 flat angles P-C4'-P energy: -8.356 tors. eta vs tors. theta energy: -7.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -82.115701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.115701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.115701 (E_RNA) where: Base-Base interactions energy: -34.359 where: short stacking energy: -26.485 Base-Backbone interact. energy: -0.227 local terms energy: -47.529359 where: bonds (distance) C4'-P energy: -13.241 bonds (distance) P-C4' energy: -10.968 flat angles C4'-P-C4' energy: -12.699 flat angles P-C4'-P energy: -6.911 tors. eta vs tors. theta energy: -3.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -75.749837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.749837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.749837 (E_RNA) where: Base-Base interactions energy: -41.719 where: short stacking energy: -34.408 Base-Backbone interact. energy: -0.115 local terms energy: -33.915303 where: bonds (distance) C4'-P energy: -9.248 bonds (distance) P-C4' energy: -9.705 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -3.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -70.823532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.823532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.823532 (E_RNA) where: Base-Base interactions energy: -31.248 where: short stacking energy: -27.496 Base-Backbone interact. energy: 1.217 local terms energy: -40.793181 where: bonds (distance) C4'-P energy: -12.851 bonds (distance) P-C4' energy: -7.607 flat angles C4'-P-C4' energy: -13.030 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -2.857 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: 6 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -165.992300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.992300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.992300 (E_RNA) where: Base-Base interactions energy: -101.746 where: short stacking energy: -69.262 Base-Backbone interact. energy: -0.001 local terms energy: -64.246128 where: bonds (distance) C4'-P energy: -11.073 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -12.208 flat angles P-C4'-P energy: -7.418 tors. eta vs tors. theta energy: -17.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -157.699078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.699078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.699078 (E_RNA) where: Base-Base interactions energy: -91.313 where: short stacking energy: -67.060 Base-Backbone interact. energy: -0.003 local terms energy: -66.383349 where: bonds (distance) C4'-P energy: -13.275 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -13.160 flat angles P-C4'-P energy: -7.253 tors. eta vs tors. theta energy: -17.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -132.443302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.443302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.443302 (E_RNA) where: Base-Base interactions energy: -83.021 where: short stacking energy: -50.680 Base-Backbone interact. energy: -0.087 local terms energy: -49.335376 where: bonds (distance) C4'-P energy: -6.944 bonds (distance) P-C4' energy: -9.895 flat angles C4'-P-C4' energy: -11.345 flat angles P-C4'-P energy: -8.089 tors. eta vs tors. theta energy: -13.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -127.425337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.425337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.425337 (E_RNA) where: Base-Base interactions energy: -68.063 where: short stacking energy: -43.504 Base-Backbone interact. energy: -0.553 local terms energy: -58.809279 where: bonds (distance) C4'-P energy: -12.541 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -14.216 flat angles P-C4'-P energy: -8.783 tors. eta vs tors. theta energy: -9.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -104.023704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.023704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.023704 (E_RNA) where: Base-Base interactions energy: -52.916 where: short stacking energy: -38.657 Base-Backbone interact. energy: 0.406 local terms energy: -51.513822 where: bonds (distance) C4'-P energy: -12.695 bonds (distance) P-C4' energy: -11.527 flat angles C4'-P-C4' energy: -13.859 flat angles P-C4'-P energy: -7.293 tors. eta vs tors. theta energy: -6.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -92.963069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.963069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.963069 (E_RNA) where: Base-Base interactions energy: -43.687 where: short stacking energy: -43.687 Base-Backbone interact. energy: 2.178 local terms energy: -51.453829 where: bonds (distance) C4'-P energy: -12.228 bonds (distance) P-C4' energy: -11.669 flat angles C4'-P-C4' energy: -13.612 flat angles P-C4'-P energy: -8.231 tors. eta vs tors. theta energy: -5.714 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: 7, replica: 7 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -128.409509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.409509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.409509 (E_RNA) where: Base-Base interactions energy: -75.645 where: short stacking energy: -47.297 Base-Backbone interact. energy: 0.245 local terms energy: -53.008852 where: bonds (distance) C4'-P energy: -10.172 bonds (distance) P-C4' energy: -15.261 flat angles C4'-P-C4' energy: -7.188 flat angles P-C4'-P energy: -10.290 tors. eta vs tors. theta energy: -10.098 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: 9 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -94.231305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.231305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.231305 (E_RNA) where: Base-Base interactions energy: -43.572 where: short stacking energy: -43.572 Base-Backbone interact. energy: -0.457 local terms energy: -50.202919 where: bonds (distance) C4'-P energy: -10.824 bonds (distance) P-C4' energy: -10.299 flat angles C4'-P-C4' energy: -15.502 flat angles P-C4'-P energy: -6.872 tors. eta vs tors. theta energy: -6.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -71.853887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.853887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.853887 (E_RNA) where: Base-Base interactions energy: -28.690 where: short stacking energy: -28.690 Base-Backbone interact. energy: 0.074 local terms energy: -43.237394 where: bonds (distance) C4'-P energy: -7.590 bonds (distance) P-C4' energy: -12.215 flat angles C4'-P-C4' energy: -12.119 flat angles P-C4'-P energy: -9.891 tors. eta vs tors. theta energy: -1.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -73.704013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.704013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.704013 (E_RNA) where: Base-Base interactions energy: -33.195 where: short stacking energy: -31.421 Base-Backbone interact. energy: -0.827 local terms energy: -39.682156 where: bonds (distance) C4'-P energy: -10.491 bonds (distance) P-C4' energy: -12.277 flat angles C4'-P-C4' energy: -9.652 flat angles P-C4'-P energy: -8.823 tors. eta vs tors. theta energy: 1.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -162.605673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.605673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.605673 (E_RNA) where: Base-Base interactions energy: -98.987 where: short stacking energy: -64.077 Base-Backbone interact. energy: -0.082 local terms energy: -63.536714 where: bonds (distance) C4'-P energy: -15.373 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -12.902 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: -14.209 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: 453 Temperature: 0.950000 Total energy: -159.617293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.617293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.617293 (E_RNA) where: Base-Base interactions energy: -93.486 where: short stacking energy: -62.666 Base-Backbone interact. energy: -0.001 local terms energy: -66.130790 where: bonds (distance) C4'-P energy: -12.629 bonds (distance) P-C4' energy: -13.815 flat angles C4'-P-C4' energy: -12.111 flat angles P-C4'-P energy: -10.889 tors. eta vs tors. theta energy: -16.687 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: 2 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -147.417154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.417154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.417154 (E_RNA) where: Base-Base interactions energy: -82.702 where: short stacking energy: -61.516 Base-Backbone interact. energy: -0.015 local terms energy: -64.700100 where: bonds (distance) C4'-P energy: -11.990 bonds (distance) P-C4' energy: -14.305 flat angles C4'-P-C4' energy: -14.484 flat angles P-C4'-P energy: -9.880 tors. eta vs tors. theta energy: -14.041 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: 8 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -107.802944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.802944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.802944 (E_RNA) where: Base-Base interactions energy: -45.421 where: short stacking energy: -45.117 Base-Backbone interact. energy: -0.015 local terms energy: -62.366740 where: bonds (distance) C4'-P energy: -12.194 bonds (distance) P-C4' energy: -14.110 flat angles C4'-P-C4' energy: -12.648 flat angles P-C4'-P energy: -9.365 tors. eta vs tors. theta energy: -14.049 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: 5, replica: 5 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -132.882459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.882459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.882459 (E_RNA) where: Base-Base interactions energy: -75.375 where: short stacking energy: -48.574 Base-Backbone interact. energy: 0.414 local terms energy: -57.921667 where: bonds (distance) C4'-P energy: -13.531 bonds (distance) P-C4' energy: -9.865 flat angles C4'-P-C4' energy: -14.709 flat angles P-C4'-P energy: -9.408 tors. eta vs tors. theta energy: -10.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -132.191877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.191877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.191877 (E_RNA) where: Base-Base interactions energy: -80.114 where: short stacking energy: -40.418 Base-Backbone interact. energy: -0.098 local terms energy: -51.979583 where: bonds (distance) C4'-P energy: -11.237 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -16.180 flat angles P-C4'-P energy: -6.914 tors. eta vs tors. theta energy: -4.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -97.602421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.602421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.602421 (E_RNA) where: Base-Base interactions energy: -50.048 where: short stacking energy: -50.048 Base-Backbone interact. energy: -0.013 local terms energy: -47.541366 where: bonds (distance) C4'-P energy: -9.779 bonds (distance) P-C4' energy: -13.956 flat angles C4'-P-C4' energy: -11.473 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: -9.075 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: 10 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -86.668903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.668903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.668903 (E_RNA) where: Base-Base interactions energy: -40.105 where: short stacking energy: -40.105 Base-Backbone interact. energy: -0.028 local terms energy: -46.535994 where: bonds (distance) C4'-P energy: -10.620 bonds (distance) P-C4' energy: -10.675 flat angles C4'-P-C4' energy: -8.152 flat angles P-C4'-P energy: -6.601 tors. eta vs tors. theta energy: -10.487 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: 9, replica: 9 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -89.889154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.889154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.889154 (E_RNA) where: Base-Base interactions energy: -40.142 where: short stacking energy: -40.142 Base-Backbone interact. energy: -0.476 local terms energy: -49.270310 where: bonds (distance) C4'-P energy: -10.749 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -10.525 flat angles P-C4'-P energy: -10.167 tors. eta vs tors. theta energy: -5.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -70.507113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.507113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.507113 (E_RNA) where: Base-Base interactions energy: -33.473 where: short stacking energy: -28.151 Base-Backbone interact. energy: -0.185 local terms energy: -36.848695 where: bonds (distance) C4'-P energy: -12.707 bonds (distance) P-C4' energy: -11.169 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -8.007 tors. eta vs tors. theta energy: 1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -175.323738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.323738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.323738 (E_RNA) where: Base-Base interactions energy: -108.051 where: short stacking energy: -73.361 Base-Backbone interact. energy: -0.001 local terms energy: -67.271001 where: bonds (distance) C4'-P energy: -12.314 bonds (distance) P-C4' energy: -14.576 flat angles C4'-P-C4' energy: -11.492 flat angles P-C4'-P energy: -10.738 tors. eta vs tors. theta energy: -18.152 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: 4 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -151.728075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.728075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.728075 (E_RNA) where: Base-Base interactions energy: -96.536 where: short stacking energy: -53.131 Base-Backbone interact. energy: -0.086 local terms energy: -55.105957 where: bonds (distance) C4'-P energy: -10.278 bonds (distance) P-C4' energy: -10.594 flat angles C4'-P-C4' energy: -14.004 flat angles P-C4'-P energy: -11.128 tors. eta vs tors. theta energy: -9.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -158.235910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.235910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.235910 (E_RNA) where: Base-Base interactions energy: -98.500 where: short stacking energy: -61.323 Base-Backbone interact. energy: -0.000 local terms energy: -59.735352 where: bonds (distance) C4'-P energy: -11.593 bonds (distance) P-C4' energy: -12.864 flat angles C4'-P-C4' energy: -11.683 flat angles P-C4'-P energy: -6.371 tors. eta vs tors. theta energy: -17.224 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: 4, replica: 8 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -111.532451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.532451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.532451 (E_RNA) where: Base-Base interactions energy: -52.603 where: short stacking energy: -52.703 Base-Backbone interact. energy: -0.377 local terms energy: -58.552233 where: bonds (distance) C4'-P energy: -14.202 bonds (distance) P-C4' energy: -14.762 flat angles C4'-P-C4' energy: -13.134 flat angles P-C4'-P energy: -7.931 tors. eta vs tors. theta energy: -8.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -140.574537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.574537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.574537 (E_RNA) where: Base-Base interactions energy: -85.183 where: short stacking energy: -48.957 Base-Backbone interact. energy: 0.417 local terms energy: -55.808990 where: bonds (distance) C4'-P energy: -13.846 bonds (distance) P-C4' energy: -10.979 flat angles C4'-P-C4' energy: -12.443 flat angles P-C4'-P energy: -10.561 tors. eta vs tors. theta energy: -7.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -125.602691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.602691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.602691 (E_RNA) where: Base-Base interactions energy: -76.446 where: short stacking energy: -37.966 Base-Backbone interact. energy: -0.028 local terms energy: -49.128734 where: bonds (distance) C4'-P energy: -12.831 bonds (distance) P-C4' energy: -10.936 flat angles C4'-P-C4' energy: -14.689 flat angles P-C4'-P energy: -7.672 tors. eta vs tors. theta energy: -3.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -90.907153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.907153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.907153 (E_RNA) where: Base-Base interactions energy: -43.638 where: short stacking energy: -43.638 Base-Backbone interact. energy: -0.000 local terms energy: -47.268837 where: bonds (distance) C4'-P energy: -10.079 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -8.869 tors. eta vs tors. theta energy: -7.545 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: 10 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -80.522715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.522715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.522715 (E_RNA) where: Base-Base interactions energy: -36.833 where: short stacking energy: -30.031 Base-Backbone interact. energy: 1.183 local terms energy: -44.872566 where: bonds (distance) C4'-P energy: -11.578 bonds (distance) P-C4' energy: -13.683 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -5.322 tors. eta vs tors. theta energy: -6.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -78.059935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.059935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.059935 (E_RNA) where: Base-Base interactions energy: -35.571 where: short stacking energy: -22.897 Base-Backbone interact. energy: 1.321 local terms energy: -43.809720 where: bonds (distance) C4'-P energy: -12.430 bonds (distance) P-C4' energy: -12.182 flat angles C4'-P-C4' energy: -10.487 flat angles P-C4'-P energy: -8.298 tors. eta vs tors. theta energy: -0.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -77.529579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.529579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.529579 (E_RNA) where: Base-Base interactions energy: -36.182 where: short stacking energy: -36.182 Base-Backbone interact. energy: -0.644 local terms energy: -40.704546 where: bonds (distance) C4'-P energy: -9.647 bonds (distance) P-C4' energy: -10.355 flat angles C4'-P-C4' energy: -9.453 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -6.506 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: 455 Temperature: 0.900000 Total energy: -165.230897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.230897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.230897 (E_RNA) where: Base-Base interactions energy: -93.495 where: short stacking energy: -59.351 Base-Backbone interact. energy: -0.049 local terms energy: -71.686082 where: bonds (distance) C4'-P energy: -13.407 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -14.892 flat angles P-C4'-P energy: -11.460 tors. eta vs tors. theta energy: -16.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -152.263890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.263890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.263890 (E_RNA) where: Base-Base interactions energy: -90.983 where: short stacking energy: -58.568 Base-Backbone interact. energy: -0.014 local terms energy: -61.266921 where: bonds (distance) C4'-P energy: -10.824 bonds (distance) P-C4' energy: -11.953 flat angles C4'-P-C4' energy: -13.203 flat angles P-C4'-P energy: -6.657 tors. eta vs tors. theta energy: -18.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -147.330467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.330467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.330467 (E_RNA) where: Base-Base interactions energy: -82.111 where: short stacking energy: -48.599 Base-Backbone interact. energy: 0.558 local terms energy: -65.777575 where: bonds (distance) C4'-P energy: -14.193 bonds (distance) P-C4' energy: -15.531 flat angles C4'-P-C4' energy: -12.049 flat angles P-C4'-P energy: -10.243 tors. eta vs tors. theta energy: -13.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -108.634623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.634623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.634623 (E_RNA) where: Base-Base interactions energy: -55.236 where: short stacking energy: -55.236 Base-Backbone interact. energy: -0.550 local terms energy: -52.848365 where: bonds (distance) C4'-P energy: -11.204 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -9.745 flat angles P-C4'-P energy: -9.386 tors. eta vs tors. theta energy: -8.784 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: 7 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -140.954530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.954530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.954530 (E_RNA) where: Base-Base interactions energy: -84.937 where: short stacking energy: -45.877 Base-Backbone interact. energy: 0.467 local terms energy: -56.483930 where: bonds (distance) C4'-P energy: -11.751 bonds (distance) P-C4' energy: -12.838 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -10.666 tors. eta vs tors. theta energy: -8.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -126.675070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.675070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.675070 (E_RNA) where: Base-Base interactions energy: -74.442 where: short stacking energy: -46.815 Base-Backbone interact. energy: -0.096 local terms energy: -52.136675 where: bonds (distance) C4'-P energy: -10.775 bonds (distance) P-C4' energy: -8.517 flat angles C4'-P-C4' energy: -15.036 flat angles P-C4'-P energy: -5.913 tors. eta vs tors. theta energy: -11.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -96.220221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.220221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.220221 (E_RNA) where: Base-Base interactions energy: -41.998 where: short stacking energy: -41.223 Base-Backbone interact. energy: -0.175 local terms energy: -54.046693 where: bonds (distance) C4'-P energy: -8.607 bonds (distance) P-C4' energy: -14.213 flat angles C4'-P-C4' energy: -13.462 flat angles P-C4'-P energy: -11.381 tors. eta vs tors. theta energy: -6.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -75.789591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.789591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.789591 (E_RNA) where: Base-Base interactions energy: -31.256 where: short stacking energy: -31.256 Base-Backbone interact. energy: -0.179 local terms energy: -44.353832 where: bonds (distance) C4'-P energy: -13.068 bonds (distance) P-C4' energy: -11.098 flat angles C4'-P-C4' energy: -10.208 flat angles P-C4'-P energy: -6.435 tors. eta vs tors. theta energy: -3.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -79.264967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.264967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.264967 (E_RNA) where: Base-Base interactions energy: -32.058 where: short stacking energy: -22.842 Base-Backbone interact. energy: 0.017 local terms energy: -47.223626 where: bonds (distance) C4'-P energy: -11.896 bonds (distance) P-C4' energy: -14.842 flat angles C4'-P-C4' energy: -8.985 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -6.734 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: 3 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -66.782937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.782937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.782937 (E_RNA) where: Base-Base interactions energy: -27.333 where: short stacking energy: -26.597 Base-Backbone interact. energy: -0.152 local terms energy: -39.297102 where: bonds (distance) C4'-P energy: -13.374 bonds (distance) P-C4' energy: -12.465 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -8.122 tors. eta vs tors. theta energy: -0.672 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: 6 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -166.551787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.551787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.551787 (E_RNA) where: Base-Base interactions energy: -95.705 where: short stacking energy: -62.393 Base-Backbone interact. energy: -0.004 local terms energy: -70.842992 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -14.436 flat angles C4'-P-C4' energy: -14.183 flat angles P-C4'-P energy: -11.942 tors. eta vs tors. theta energy: -16.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -146.427767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.427767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.427767 (E_RNA) where: Base-Base interactions energy: -89.521 where: short stacking energy: -56.350 Base-Backbone interact. energy: -0.160 local terms energy: -56.746553 where: bonds (distance) C4'-P energy: -11.280 bonds (distance) P-C4' energy: -14.547 flat angles C4'-P-C4' energy: -11.582 flat angles P-C4'-P energy: -9.413 tors. eta vs tors. theta energy: -9.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -141.581967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.581967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.581967 (E_RNA) where: Base-Base interactions energy: -86.472 where: short stacking energy: -53.502 Base-Backbone interact. energy: -0.001 local terms energy: -55.109539 where: bonds (distance) C4'-P energy: -12.827 bonds (distance) P-C4' energy: -13.098 flat angles C4'-P-C4' energy: -11.770 flat angles P-C4'-P energy: -7.656 tors. eta vs tors. theta energy: -9.757 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: 8 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -99.142618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.142618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.142618 (E_RNA) where: Base-Base interactions energy: -46.754 where: short stacking energy: -46.754 Base-Backbone interact. energy: -0.156 local terms energy: -52.232484 where: bonds (distance) C4'-P energy: -9.146 bonds (distance) P-C4' energy: -15.250 flat angles C4'-P-C4' energy: -10.450 flat angles P-C4'-P energy: -10.174 tors. eta vs tors. theta energy: -7.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -129.512073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.512073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.512073 (E_RNA) where: Base-Base interactions energy: -73.593 where: short stacking energy: -36.685 Base-Backbone interact. energy: -1.907 local terms energy: -54.011995 where: bonds (distance) C4'-P energy: -8.800 bonds (distance) P-C4' energy: -11.451 flat angles C4'-P-C4' energy: -13.744 flat angles P-C4'-P energy: -11.535 tors. eta vs tors. theta energy: -8.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -134.561119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.561119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.561119 (E_RNA) where: Base-Base interactions energy: -76.777 where: short stacking energy: -49.060 Base-Backbone interact. energy: -0.723 local terms energy: -57.061071 where: bonds (distance) C4'-P energy: -13.659 bonds (distance) P-C4' energy: -13.480 flat angles C4'-P-C4' energy: -12.565 flat angles P-C4'-P energy: -6.326 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: 7, replica: 9 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -101.697009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.697009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.697009 (E_RNA) where: Base-Base interactions energy: -44.086 where: short stacking energy: -44.686 Base-Backbone interact. energy: -0.154 local terms energy: -57.457834 where: bonds (distance) C4'-P energy: -13.043 bonds (distance) P-C4' energy: -15.108 flat angles C4'-P-C4' energy: -13.684 flat angles P-C4'-P energy: -8.455 tors. eta vs tors. theta energy: -7.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -79.898384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.898384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.898384 (E_RNA) where: Base-Base interactions energy: -36.517 where: short stacking energy: -31.420 Base-Backbone interact. energy: -1.069 local terms energy: -42.312791 where: bonds (distance) C4'-P energy: -8.121 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -8.605 flat angles P-C4'-P energy: -7.819 tors. eta vs tors. theta energy: -4.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -74.211408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.211408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.211408 (E_RNA) where: Base-Base interactions energy: -33.682 where: short stacking energy: -23.661 Base-Backbone interact. energy: 0.579 local terms energy: -41.108609 where: bonds (distance) C4'-P energy: -5.528 bonds (distance) P-C4' energy: -10.241 flat angles C4'-P-C4' energy: -14.783 flat angles P-C4'-P energy: -5.960 tors. eta vs tors. theta energy: -4.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -76.360894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.360894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.360894 (E_RNA) where: Base-Base interactions energy: -27.759 where: short stacking energy: -27.759 Base-Backbone interact. energy: 1.332 local terms energy: -49.933233 where: bonds (distance) C4'-P energy: -11.092 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -11.681 flat angles P-C4'-P energy: -7.024 tors. eta vs tors. theta energy: -5.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -183.136548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.136548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.136548 (E_RNA) where: Base-Base interactions energy: -111.317 where: short stacking energy: -69.026 Base-Backbone interact. energy: -0.113 local terms energy: -71.706703 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -13.545 flat angles C4'-P-C4' energy: -12.238 flat angles P-C4'-P energy: -11.711 tors. eta vs tors. theta energy: -19.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -142.848462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.848462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.848462 (E_RNA) where: Base-Base interactions energy: -86.212 where: short stacking energy: -57.374 Base-Backbone interact. energy: 0.092 local terms energy: -56.729182 where: bonds (distance) C4'-P energy: -9.502 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -11.655 flat angles P-C4'-P energy: -10.724 tors. eta vs tors. theta energy: -11.802 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: 2 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -152.462967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.462967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.462967 (E_RNA) where: Base-Base interactions energy: -88.763 where: short stacking energy: -53.025 Base-Backbone interact. energy: -0.001 local terms energy: -63.699781 where: bonds (distance) C4'-P energy: -12.464 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -14.926 flat angles P-C4'-P energy: -8.173 tors. eta vs tors. theta energy: -13.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -139.199753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.199753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.199753 (E_RNA) where: Base-Base interactions energy: -81.161 where: short stacking energy: -47.149 Base-Backbone interact. energy: 0.322 local terms energy: -58.360901 where: bonds (distance) C4'-P energy: -10.873 bonds (distance) P-C4' energy: -14.695 flat angles C4'-P-C4' energy: -11.613 flat angles P-C4'-P energy: -11.073 tors. eta vs tors. theta energy: -10.108 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: 8 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -91.414347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.414347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.414347 (E_RNA) where: Base-Base interactions energy: -42.596 where: short stacking energy: -28.637 Base-Backbone interact. energy: -0.016 local terms energy: -48.802164 where: bonds (distance) C4'-P energy: -14.077 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -11.185 flat angles P-C4'-P energy: -5.791 tors. eta vs tors. theta energy: -3.163 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: 6, replica: 7 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -138.152355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.152355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.152355 (E_RNA) where: Base-Base interactions energy: -82.057 where: short stacking energy: -50.149 Base-Backbone interact. energy: 1.007 local terms energy: -57.102540 where: bonds (distance) C4'-P energy: -13.627 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -10.755 flat angles P-C4'-P energy: -9.898 tors. eta vs tors. theta energy: -9.284 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: 9 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -81.131388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.131388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.131388 (E_RNA) where: Base-Base interactions energy: -36.841 where: short stacking energy: -30.122 Base-Backbone interact. energy: -0.257 local terms energy: -44.033248 where: bonds (distance) C4'-P energy: -9.444 bonds (distance) P-C4' energy: -11.331 flat angles C4'-P-C4' energy: -11.555 flat angles P-C4'-P energy: -6.967 tors. eta vs tors. theta energy: -4.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -79.926512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.926512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.926512 (E_RNA) where: Base-Base interactions energy: -35.676 where: short stacking energy: -30.822 Base-Backbone interact. energy: 0.021 local terms energy: -44.272269 where: bonds (distance) C4'-P energy: -12.078 bonds (distance) P-C4' energy: -10.137 flat angles C4'-P-C4' energy: -10.812 flat angles P-C4'-P energy: -6.888 tors. eta vs tors. theta energy: -4.358 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: 1 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -67.285222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.285222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.285222 (E_RNA) where: Base-Base interactions energy: -28.123 where: short stacking energy: -28.123 Base-Backbone interact. energy: 2.371 local terms energy: -41.532499 where: bonds (distance) C4'-P energy: -12.888 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -9.377 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -3.903 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: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -73.632465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.632465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.632465 (E_RNA) where: Base-Base interactions energy: -26.048 where: short stacking energy: -26.048 Base-Backbone interact. energy: -0.000 local terms energy: -47.583694 where: bonds (distance) C4'-P energy: -10.144 bonds (distance) P-C4' energy: -13.386 flat angles C4'-P-C4' energy: -9.822 flat angles P-C4'-P energy: -6.413 tors. eta vs tors. theta energy: -7.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -176.402858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.402858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.402858 (E_RNA) where: Base-Base interactions energy: -107.729 where: short stacking energy: -67.984 Base-Backbone interact. energy: -0.000 local terms energy: -68.673115 where: bonds (distance) C4'-P energy: -11.250 bonds (distance) P-C4' energy: -12.517 flat angles C4'-P-C4' energy: -14.989 flat angles P-C4'-P energy: -10.192 tors. eta vs tors. theta energy: -19.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -143.606611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.606611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.606611 (E_RNA) where: Base-Base interactions energy: -86.464 where: short stacking energy: -54.671 Base-Backbone interact. energy: -0.165 local terms energy: -56.977748 where: bonds (distance) C4'-P energy: -14.370 bonds (distance) P-C4' energy: -10.783 flat angles C4'-P-C4' energy: -12.801 flat angles P-C4'-P energy: -7.395 tors. eta vs tors. theta energy: -11.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -165.023525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.023525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.023525 (E_RNA) where: Base-Base interactions energy: -100.329 where: short stacking energy: -65.210 Base-Backbone interact. energy: -0.097 local terms energy: -64.597067 where: bonds (distance) C4'-P energy: -11.660 bonds (distance) P-C4' energy: -14.460 flat angles C4'-P-C4' energy: -14.968 flat angles P-C4'-P energy: -5.868 tors. eta vs tors. theta energy: -17.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -135.603351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.603351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.603351 (E_RNA) where: Base-Base interactions energy: -77.828 where: short stacking energy: -45.665 Base-Backbone interact. energy: -0.137 local terms energy: -57.638300 where: bonds (distance) C4'-P energy: -12.831 bonds (distance) P-C4' energy: -13.249 flat angles C4'-P-C4' energy: -12.256 flat angles P-C4'-P energy: -9.356 tors. eta vs tors. theta energy: -9.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -135.331977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.331977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.331977 (E_RNA) where: Base-Base interactions energy: -94.673 where: short stacking energy: -49.312 Base-Backbone interact. energy: -0.827 local terms energy: -39.831852 where: bonds (distance) C4'-P energy: -8.559 bonds (distance) P-C4' energy: -5.297 flat angles C4'-P-C4' energy: -12.600 flat angles P-C4'-P energy: -7.819 tors. eta vs tors. theta energy: -5.558 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: 6, replica: 8 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -100.171598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.171598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.171598 (E_RNA) where: Base-Base interactions energy: -49.482 where: short stacking energy: -43.767 Base-Backbone interact. energy: -0.901 local terms energy: -49.787750 where: bonds (distance) C4'-P energy: -10.431 bonds (distance) P-C4' energy: -10.484 flat angles C4'-P-C4' energy: -8.331 flat angles P-C4'-P energy: -10.900 tors. eta vs tors. theta energy: -9.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -92.023037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.023037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.023037 (E_RNA) where: Base-Base interactions energy: -49.670 where: short stacking energy: -32.062 Base-Backbone interact. energy: -0.117 local terms energy: -42.236294 where: bonds (distance) C4'-P energy: -12.364 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -11.847 flat angles P-C4'-P energy: -5.882 tors. eta vs tors. theta energy: -4.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -81.392486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.392486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.392486 (E_RNA) where: Base-Base interactions energy: -34.727 where: short stacking energy: -32.443 Base-Backbone interact. energy: -0.059 local terms energy: -46.605906 where: bonds (distance) C4'-P energy: -9.163 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -13.377 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -5.532 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: 10 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -75.212731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.212731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.212731 (E_RNA) where: Base-Base interactions energy: -30.432 where: short stacking energy: -28.058 Base-Backbone interact. energy: -0.201 local terms energy: -44.579921 where: bonds (distance) C4'-P energy: -8.580 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -11.259 flat angles P-C4'-P energy: -7.470 tors. eta vs tors. theta energy: -4.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -81.952122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.952122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.952122 (E_RNA) where: Base-Base interactions energy: -40.919 where: short stacking energy: -34.454 Base-Backbone interact. energy: -0.564 local terms energy: -40.468472 where: bonds (distance) C4'-P energy: -7.305 bonds (distance) P-C4' energy: -12.416 flat angles C4'-P-C4' energy: -9.406 flat angles P-C4'-P energy: -9.034 tors. eta vs tors. theta energy: -2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -168.650526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.650526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.650526 (E_RNA) where: Base-Base interactions energy: -101.859 where: short stacking energy: -67.730 Base-Backbone interact. energy: -0.003 local terms energy: -66.788560 where: bonds (distance) C4'-P energy: -14.040 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -14.953 flat angles P-C4'-P energy: -8.648 tors. eta vs tors. theta energy: -16.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -163.180044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.180044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.180044 (E_RNA) where: Base-Base interactions energy: -104.391 where: short stacking energy: -66.350 Base-Backbone interact. energy: -0.072 local terms energy: -58.717150 where: bonds (distance) C4'-P energy: -10.691 bonds (distance) P-C4' energy: -10.157 flat angles C4'-P-C4' energy: -11.638 flat angles P-C4'-P energy: -8.042 tors. eta vs tors. theta energy: -18.189 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: 4 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -150.848792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.848792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.848792 (E_RNA) where: Base-Base interactions energy: -93.655 where: short stacking energy: -54.184 Base-Backbone interact. energy: -0.024 local terms energy: -57.169967 where: bonds (distance) C4'-P energy: -10.908 bonds (distance) P-C4' energy: -14.477 flat angles C4'-P-C4' energy: -11.923 flat angles P-C4'-P energy: -9.230 tors. eta vs tors. theta energy: -10.632 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: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -149.031887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.031887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.031887 (E_RNA) where: Base-Base interactions energy: -87.061 where: short stacking energy: -59.224 Base-Backbone interact. energy: 0.028 local terms energy: -61.999197 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -14.183 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: -13.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -133.296576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.296576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.296576 (E_RNA) where: Base-Base interactions energy: -74.104 where: short stacking energy: -48.643 Base-Backbone interact. energy: -0.682 local terms energy: -58.510364 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -13.134 flat angles P-C4'-P energy: -6.353 tors. eta vs tors. theta energy: -10.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -100.918252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.918252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.918252 (E_RNA) where: Base-Base interactions energy: -50.876 where: short stacking energy: -35.630 Base-Backbone interact. energy: -0.509 local terms energy: -49.533742 where: bonds (distance) C4'-P energy: -9.490 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -7.427 flat angles P-C4'-P energy: -12.473 tors. eta vs tors. theta energy: -6.820 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: 8 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -87.959048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.959048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.959048 (E_RNA) where: Base-Base interactions energy: -33.190 where: short stacking energy: -32.992 Base-Backbone interact. energy: -0.084 local terms energy: -54.684514 where: bonds (distance) C4'-P energy: -11.391 bonds (distance) P-C4' energy: -15.513 flat angles C4'-P-C4' energy: -10.433 flat angles P-C4'-P energy: -10.583 tors. eta vs tors. theta energy: -6.766 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: 10 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -75.290568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.290568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.290568 (E_RNA) where: Base-Base interactions energy: -35.834 where: short stacking energy: -33.994 Base-Backbone interact. energy: 0.408 local terms energy: -39.863963 where: bonds (distance) C4'-P energy: -8.455 bonds (distance) P-C4' energy: -15.090 flat angles C4'-P-C4' energy: -7.932 flat angles P-C4'-P energy: -3.345 tors. eta vs tors. theta energy: -5.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -76.445651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.445651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.445651 (E_RNA) where: Base-Base interactions energy: -30.978 where: short stacking energy: -29.123 Base-Backbone interact. energy: -0.187 local terms energy: -45.279841 where: bonds (distance) C4'-P energy: -12.459 bonds (distance) P-C4' energy: -14.305 flat angles C4'-P-C4' energy: -10.547 flat angles P-C4'-P energy: -8.883 tors. eta vs tors. theta energy: 0.914 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: 1 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -76.803272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.803272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.803272 (E_RNA) where: Base-Base interactions energy: -35.265 where: short stacking energy: -23.755 Base-Backbone interact. energy: 0.330 local terms energy: -41.868614 where: bonds (distance) C4'-P energy: -7.690 bonds (distance) P-C4' energy: -15.767 flat angles C4'-P-C4' energy: -8.989 flat angles P-C4'-P energy: -7.748 tors. eta vs tors. theta energy: -1.674 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: 1, replica: 5 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -152.716336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.716336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.716336 (E_RNA) where: Base-Base interactions energy: -99.454 where: short stacking energy: -56.231 Base-Backbone interact. energy: -0.001 local terms energy: -53.261007 where: bonds (distance) C4'-P energy: -8.339 bonds (distance) P-C4' energy: -12.312 flat angles C4'-P-C4' energy: -10.917 flat angles P-C4'-P energy: -8.804 tors. eta vs tors. theta energy: -12.889 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: 6 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -163.356075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.356075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.356075 (E_RNA) where: Base-Base interactions energy: -101.244 where: short stacking energy: -63.804 Base-Backbone interact. energy: -0.019 local terms energy: -62.092483 where: bonds (distance) C4'-P energy: -12.674 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -11.989 flat angles P-C4'-P energy: -9.050 tors. eta vs tors. theta energy: -14.808 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: 4 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -150.416367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.416367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.416367 (E_RNA) where: Base-Base interactions energy: -87.765 where: short stacking energy: -47.091 Base-Backbone interact. energy: -1.211 local terms energy: -61.440461 where: bonds (distance) C4'-P energy: -15.543 bonds (distance) P-C4' energy: -12.049 flat angles C4'-P-C4' energy: -11.306 flat angles P-C4'-P energy: -8.447 tors. eta vs tors. theta energy: -14.096 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: 2 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -155.271409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.271409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.271409 (E_RNA) where: Base-Base interactions energy: -98.856 where: short stacking energy: -64.144 Base-Backbone interact. energy: 1.234 local terms energy: -57.649261 where: bonds (distance) C4'-P energy: -11.176 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -7.527 flat angles P-C4'-P energy: -7.740 tors. eta vs tors. theta energy: -15.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -131.510519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.510519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.510519 (E_RNA) where: Base-Base interactions energy: -80.273 where: short stacking energy: -41.888 Base-Backbone interact. energy: -0.005 local terms energy: -51.232475 where: bonds (distance) C4'-P energy: -14.235 bonds (distance) P-C4' energy: -8.968 flat angles C4'-P-C4' energy: -11.499 flat angles P-C4'-P energy: -7.121 tors. eta vs tors. theta energy: -9.410 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: 3 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -107.166077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.166077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.166077 (E_RNA) where: Base-Base interactions energy: -59.802 where: short stacking energy: -40.928 Base-Backbone interact. energy: -0.099 local terms energy: -47.264408 where: bonds (distance) C4'-P energy: -8.891 bonds (distance) P-C4' energy: -11.179 flat angles C4'-P-C4' energy: -12.669 flat angles P-C4'-P energy: -9.596 tors. eta vs tors. theta energy: -4.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -85.517280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.517280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.517280 (E_RNA) where: Base-Base interactions energy: -38.052 where: short stacking energy: -35.372 Base-Backbone interact. energy: -0.040 local terms energy: -47.424346 where: bonds (distance) C4'-P energy: -10.414 bonds (distance) P-C4' energy: -11.733 flat angles C4'-P-C4' energy: -12.945 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: -7.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -101.321180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.321180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.321180 (E_RNA) where: Base-Base interactions energy: -51.686 where: short stacking energy: -38.523 Base-Backbone interact. energy: -0.154 local terms energy: -49.481489 where: bonds (distance) C4'-P energy: -11.743 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -11.282 flat angles P-C4'-P energy: -3.531 tors. eta vs tors. theta energy: -9.449 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: 9, replica: 1 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -78.951140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.951140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.951140 (E_RNA) where: Base-Base interactions energy: -45.883 where: short stacking energy: -37.837 Base-Backbone interact. energy: -0.101 local terms energy: -32.966896 where: bonds (distance) C4'-P energy: -6.905 bonds (distance) P-C4' energy: -7.962 flat angles C4'-P-C4' energy: -10.641 flat angles P-C4'-P energy: -2.317 tors. eta vs tors. theta energy: -5.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -60.766938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.766938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.766938 (E_RNA) where: Base-Base interactions energy: -21.848 where: short stacking energy: -17.653 Base-Backbone interact. energy: -0.526 local terms energy: -38.392642 where: bonds (distance) C4'-P energy: -12.906 bonds (distance) P-C4' energy: -11.422 flat angles C4'-P-C4' energy: -12.269 flat angles P-C4'-P energy: -2.588 tors. eta vs tors. theta energy: 0.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -161.988480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.988480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.988480 (E_RNA) where: Base-Base interactions energy: -95.778 where: short stacking energy: -53.072 Base-Backbone interact. energy: -0.268 local terms energy: -65.942017 where: bonds (distance) C4'-P energy: -15.134 bonds (distance) P-C4' energy: -14.007 flat angles C4'-P-C4' energy: -14.326 flat angles P-C4'-P energy: -9.902 tors. eta vs tors. theta energy: -12.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -149.466821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.466821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.466821 (E_RNA) where: Base-Base interactions energy: -89.469 where: short stacking energy: -51.320 Base-Backbone interact. energy: -0.167 local terms energy: -59.830900 where: bonds (distance) C4'-P energy: -13.419 bonds (distance) P-C4' energy: -11.804 flat angles C4'-P-C4' energy: -14.614 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -12.008 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: 6 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -135.817083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.817083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.817083 (E_RNA) where: Base-Base interactions energy: -82.793 where: short stacking energy: -44.879 Base-Backbone interact. energy: -0.198 local terms energy: -52.826226 where: bonds (distance) C4'-P energy: -9.801 bonds (distance) P-C4' energy: -12.097 flat angles C4'-P-C4' energy: -13.981 flat angles P-C4'-P energy: -8.456 tors. eta vs tors. theta energy: -8.491 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: 7 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -136.776527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.776527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.776527 (E_RNA) where: Base-Base interactions energy: -85.775 where: short stacking energy: -52.865 Base-Backbone interact. energy: -0.000 local terms energy: -51.001360 where: bonds (distance) C4'-P energy: -15.285 bonds (distance) P-C4' energy: -8.710 flat angles C4'-P-C4' energy: -11.863 flat angles P-C4'-P energy: -5.755 tors. eta vs tors. theta energy: -9.388 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: 2 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -128.307206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.307206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.307206 (E_RNA) where: Base-Base interactions energy: -76.818 where: short stacking energy: -46.042 Base-Backbone interact. energy: -0.001 local terms energy: -51.487894 where: bonds (distance) C4'-P energy: -9.444 bonds (distance) P-C4' energy: -15.323 flat angles C4'-P-C4' energy: -11.636 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: -9.540 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: 3 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -99.657988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.657988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.657988 (E_RNA) where: Base-Base interactions energy: -51.187 where: short stacking energy: -38.621 Base-Backbone interact. energy: -0.747 local terms energy: -47.724392 where: bonds (distance) C4'-P energy: -11.713 bonds (distance) P-C4' energy: -12.541 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -8.504 tors. eta vs tors. theta energy: -7.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -87.057932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.057932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.057932 (E_RNA) where: Base-Base interactions energy: -41.948 where: short stacking energy: -41.760 Base-Backbone interact. energy: -0.104 local terms energy: -45.006258 where: bonds (distance) C4'-P energy: -9.930 bonds (distance) P-C4' energy: -11.683 flat angles C4'-P-C4' energy: -11.689 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -7.239 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: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -87.416662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.416662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.416662 (E_RNA) where: Base-Base interactions energy: -40.587 where: short stacking energy: -40.587 Base-Backbone interact. energy: -0.002 local terms energy: -46.827780 where: bonds (distance) C4'-P energy: -11.921 bonds (distance) P-C4' energy: -8.582 flat angles C4'-P-C4' energy: -11.505 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -11.090 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: 10 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -85.838481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.838481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.838481 (E_RNA) where: Base-Base interactions energy: -34.580 where: short stacking energy: -33.303 Base-Backbone interact. energy: -0.099 local terms energy: -51.159766 where: bonds (distance) C4'-P energy: -11.696 bonds (distance) P-C4' energy: -7.059 flat angles C4'-P-C4' energy: -13.420 flat angles P-C4'-P energy: -9.780 tors. eta vs tors. theta energy: -9.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -74.011402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.011402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.011402 (E_RNA) where: Base-Base interactions energy: -28.688 where: short stacking energy: -28.688 Base-Backbone interact. energy: -1.025 local terms energy: -44.298613 where: bonds (distance) C4'-P energy: -11.688 bonds (distance) P-C4' energy: -11.511 flat angles C4'-P-C4' energy: -11.491 flat angles P-C4'-P energy: -5.312 tors. eta vs tors. theta energy: -4.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -152.843491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.843491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.843491 (E_RNA) where: Base-Base interactions energy: -96.718 where: short stacking energy: -57.338 Base-Backbone interact. energy: -0.417 local terms energy: -55.708794 where: bonds (distance) C4'-P energy: -12.512 bonds (distance) P-C4' energy: -8.138 flat angles C4'-P-C4' energy: -14.370 flat angles P-C4'-P energy: -6.287 tors. eta vs tors. theta energy: -14.402 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: 5 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -156.401629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.401629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.401629 (E_RNA) where: Base-Base interactions energy: -101.521 where: short stacking energy: -60.210 Base-Backbone interact. energy: -0.153 local terms energy: -54.728405 where: bonds (distance) C4'-P energy: -12.893 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -11.438 flat angles P-C4'-P energy: -8.507 tors. eta vs tors. theta energy: -10.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -140.477105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.477105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.477105 (E_RNA) where: Base-Base interactions energy: -81.860 where: short stacking energy: -49.160 Base-Backbone interact. energy: -0.147 local terms energy: -58.470182 where: bonds (distance) C4'-P energy: -11.641 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -15.077 flat angles P-C4'-P energy: -9.481 tors. eta vs tors. theta energy: -9.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -139.882346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.882346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.882346 (E_RNA) where: Base-Base interactions energy: -81.093 where: short stacking energy: -54.004 Base-Backbone interact. energy: -0.002 local terms energy: -58.787547 where: bonds (distance) C4'-P energy: -12.797 bonds (distance) P-C4' energy: -16.464 flat angles C4'-P-C4' energy: -10.006 flat angles P-C4'-P energy: -8.831 tors. eta vs tors. theta energy: -10.689 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: 3 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -102.970545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.970545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.970545 (E_RNA) where: Base-Base interactions energy: -46.323 where: short stacking energy: -46.323 Base-Backbone interact. energy: -0.039 local terms energy: -56.608517 where: bonds (distance) C4'-P energy: -11.635 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -15.313 flat angles P-C4'-P energy: -7.825 tors. eta vs tors. theta energy: -7.627 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: 2 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -94.619723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.619723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.619723 (E_RNA) where: Base-Base interactions energy: -43.733 where: short stacking energy: -32.889 Base-Backbone interact. energy: -0.036 local terms energy: -50.850181 where: bonds (distance) C4'-P energy: -11.568 bonds (distance) P-C4' energy: -11.995 flat angles C4'-P-C4' energy: -12.558 flat angles P-C4'-P energy: -8.951 tors. eta vs tors. theta energy: -5.778 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: 7, replica: 8 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -87.453060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.453060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.453060 (E_RNA) where: Base-Base interactions energy: -41.977 where: short stacking energy: -41.977 Base-Backbone interact. energy: -0.426 local terms energy: -45.049988 where: bonds (distance) C4'-P energy: -11.602 bonds (distance) P-C4' energy: -12.973 flat angles C4'-P-C4' energy: -10.555 flat angles P-C4'-P energy: -4.990 tors. eta vs tors. theta energy: -4.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -86.424451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.424451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.424451 (E_RNA) where: Base-Base interactions energy: -45.689 where: short stacking energy: -44.239 Base-Backbone interact. energy: -0.217 local terms energy: -40.518609 where: bonds (distance) C4'-P energy: -11.242 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -6.931 flat angles P-C4'-P energy: 1.687 tors. eta vs tors. theta energy: -9.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -80.126552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.126552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.126552 (E_RNA) where: Base-Base interactions energy: -40.024 where: short stacking energy: -38.565 Base-Backbone interact. energy: -0.593 local terms energy: -39.509649 where: bonds (distance) C4'-P energy: -10.332 bonds (distance) P-C4' energy: -11.800 flat angles C4'-P-C4' energy: -1.796 flat angles P-C4'-P energy: -7.418 tors. eta vs tors. theta energy: -8.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -68.476319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.476319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.476319 (E_RNA) where: Base-Base interactions energy: -24.018 where: short stacking energy: -23.783 Base-Backbone interact. energy: 3.079 local terms energy: -47.537655 where: bonds (distance) C4'-P energy: -13.977 bonds (distance) P-C4' energy: -14.847 flat angles C4'-P-C4' energy: -13.464 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -1.617 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: 4 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -140.678436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.678436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.678436 (E_RNA) where: Base-Base interactions energy: -82.691 where: short stacking energy: -48.695 Base-Backbone interact. energy: -0.548 local terms energy: -57.439010 where: bonds (distance) C4'-P energy: -11.296 bonds (distance) P-C4' energy: -11.004 flat angles C4'-P-C4' energy: -14.846 flat angles P-C4'-P energy: -8.557 tors. eta vs tors. theta energy: -11.737 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: 2, replica: 5 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -163.229418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.229418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.229418 (E_RNA) where: Base-Base interactions energy: -100.801 where: short stacking energy: -57.217 Base-Backbone interact. energy: -0.172 local terms energy: -62.256501 where: bonds (distance) C4'-P energy: -14.334 bonds (distance) P-C4' energy: -11.614 flat angles C4'-P-C4' energy: -13.454 flat angles P-C4'-P energy: -9.493 tors. eta vs tors. theta energy: -13.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -151.588844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.588844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.588844 (E_RNA) where: Base-Base interactions energy: -92.725 where: short stacking energy: -60.411 Base-Backbone interact. energy: -0.003 local terms energy: -58.861149 where: bonds (distance) C4'-P energy: -14.972 bonds (distance) P-C4' energy: -12.648 flat angles C4'-P-C4' energy: -9.792 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -13.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -139.201845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.201845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.201845 (E_RNA) where: Base-Base interactions energy: -80.751 where: short stacking energy: -49.838 Base-Backbone interact. energy: 0.387 local terms energy: -58.837753 where: bonds (distance) C4'-P energy: -11.875 bonds (distance) P-C4' energy: -14.581 flat angles C4'-P-C4' energy: -12.870 flat angles P-C4'-P energy: -6.946 tors. eta vs tors. theta energy: -12.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -108.064896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.064896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.064896 (E_RNA) where: Base-Base interactions energy: -49.662 where: short stacking energy: -48.973 Base-Backbone interact. energy: -0.000 local terms energy: -58.402913 where: bonds (distance) C4'-P energy: -12.806 bonds (distance) P-C4' energy: -12.468 flat angles C4'-P-C4' energy: -14.784 flat angles P-C4'-P energy: -7.046 tors. eta vs tors. theta energy: -11.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -85.562737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.562737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.562737 (E_RNA) where: Base-Base interactions energy: -47.615 where: short stacking energy: -31.270 Base-Backbone interact. energy: -0.515 local terms energy: -37.433133 where: bonds (distance) C4'-P energy: -10.812 bonds (distance) P-C4' energy: -9.837 flat angles C4'-P-C4' energy: -9.176 flat angles P-C4'-P energy: -8.826 tors. eta vs tors. theta energy: 1.219 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: 2 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -95.656945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.656945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.656945 (E_RNA) where: Base-Base interactions energy: -45.766 where: short stacking energy: -37.863 Base-Backbone interact. energy: -0.143 local terms energy: -49.747332 where: bonds (distance) C4'-P energy: -10.559 bonds (distance) P-C4' energy: -11.101 flat angles C4'-P-C4' energy: -14.337 flat angles P-C4'-P energy: -8.896 tors. eta vs tors. theta energy: -4.855 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: 9 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -88.623967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.623967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.623967 (E_RNA) where: Base-Base interactions energy: -51.276 where: short stacking energy: -34.140 Base-Backbone interact. energy: -0.026 local terms energy: -37.322655 where: bonds (distance) C4'-P energy: -6.697 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -8.151 flat angles P-C4'-P energy: -6.070 tors. eta vs tors. theta energy: -1.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -74.627426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.627426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.627426 (E_RNA) where: Base-Base interactions energy: -30.336 where: short stacking energy: -29.729 Base-Backbone interact. energy: -0.083 local terms energy: -44.208792 where: bonds (distance) C4'-P energy: -9.983 bonds (distance) P-C4' energy: -11.294 flat angles C4'-P-C4' energy: -13.862 flat angles P-C4'-P energy: -9.112 tors. eta vs tors. theta energy: 0.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -70.004225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.004225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.004225 (E_RNA) where: Base-Base interactions energy: -26.114 where: short stacking energy: -23.181 Base-Backbone interact. energy: -0.102 local terms energy: -43.787620 where: bonds (distance) C4'-P energy: -7.528 bonds (distance) P-C4' energy: -10.523 flat angles C4'-P-C4' energy: -13.621 flat angles P-C4'-P energy: -5.992 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: 5 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -171.258433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.258433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.258433 (E_RNA) where: Base-Base interactions energy: -110.126 where: short stacking energy: -70.484 Base-Backbone interact. energy: -0.001 local terms energy: -61.132282 where: bonds (distance) C4'-P energy: -13.721 bonds (distance) P-C4' energy: -10.658 flat angles C4'-P-C4' energy: -12.655 flat angles P-C4'-P energy: -7.978 tors. eta vs tors. theta energy: -16.120 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: 2, replica: 4 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -143.518111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.518111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.518111 (E_RNA) where: Base-Base interactions energy: -81.935 where: short stacking energy: -47.182 Base-Backbone interact. energy: -0.067 local terms energy: -61.516483 where: bonds (distance) C4'-P energy: -12.683 bonds (distance) P-C4' energy: -12.186 flat angles C4'-P-C4' energy: -14.445 flat angles P-C4'-P energy: -10.745 tors. eta vs tors. theta energy: -11.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -157.086313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.086313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.086313 (E_RNA) where: Base-Base interactions energy: -93.177 where: short stacking energy: -57.715 Base-Backbone interact. energy: -0.273 local terms energy: -63.636501 where: bonds (distance) C4'-P energy: -12.356 bonds (distance) P-C4' energy: -14.489 flat angles C4'-P-C4' energy: -13.291 flat angles P-C4'-P energy: -8.426 tors. eta vs tors. theta energy: -15.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -141.486274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.486274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.486274 (E_RNA) where: Base-Base interactions energy: -87.140 where: short stacking energy: -56.659 Base-Backbone interact. energy: 0.103 local terms energy: -54.449325 where: bonds (distance) C4'-P energy: -7.517 bonds (distance) P-C4' energy: -12.701 flat angles C4'-P-C4' energy: -14.187 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -16.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -110.439689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.439689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.439689 (E_RNA) where: Base-Base interactions energy: -50.659 where: short stacking energy: -50.659 Base-Backbone interact. energy: -0.025 local terms energy: -59.755744 where: bonds (distance) C4'-P energy: -13.237 bonds (distance) P-C4' energy: -12.676 flat angles C4'-P-C4' energy: -12.217 flat angles P-C4'-P energy: -7.257 tors. eta vs tors. theta energy: -14.368 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: 3 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -104.366322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.366322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.366322 (E_RNA) where: Base-Base interactions energy: -50.675 where: short stacking energy: -50.675 Base-Backbone interact. energy: -0.020 local terms energy: -53.671217 where: bonds (distance) C4'-P energy: -6.997 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -14.828 flat angles P-C4'-P energy: -7.396 tors. eta vs tors. theta energy: -10.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -89.443210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.443210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.443210 (E_RNA) where: Base-Base interactions energy: -43.455 where: short stacking energy: -43.455 Base-Backbone interact. energy: -0.028 local terms energy: -45.960027 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -9.732 flat angles C4'-P-C4' energy: -11.194 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -8.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -90.627069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.627069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.627069 (E_RNA) where: Base-Base interactions energy: -45.418 where: short stacking energy: -28.369 Base-Backbone interact. energy: -0.012 local terms energy: -45.197240 where: bonds (distance) C4'-P energy: -10.666 bonds (distance) P-C4' energy: -10.792 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -9.822 tors. eta vs tors. theta energy: -7.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -89.024377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.024377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.024377 (E_RNA) where: Base-Base interactions energy: -40.291 where: short stacking energy: -29.809 Base-Backbone interact. energy: -0.250 local terms energy: -48.484125 where: bonds (distance) C4'-P energy: -14.752 bonds (distance) P-C4' energy: -9.177 flat angles C4'-P-C4' energy: -11.187 flat angles P-C4'-P energy: -8.518 tors. eta vs tors. theta energy: -4.852 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: 1 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -80.391347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.391347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.391347 (E_RNA) where: Base-Base interactions energy: -37.158 where: short stacking energy: -37.158 Base-Backbone interact. energy: -0.097 local terms energy: -43.135809 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -5.331 tors. eta vs tors. theta energy: -8.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -163.568865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.568865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.568865 (E_RNA) where: Base-Base interactions energy: -97.671 where: short stacking energy: -63.950 Base-Backbone interact. energy: 1.611 local terms energy: -67.509252 where: bonds (distance) C4'-P energy: -12.189 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -14.992 flat angles P-C4'-P energy: -9.301 tors. eta vs tors. theta energy: -15.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -151.127040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.127040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.127040 (E_RNA) where: Base-Base interactions energy: -82.775 where: short stacking energy: -57.175 Base-Backbone interact. energy: -0.224 local terms energy: -68.128425 where: bonds (distance) C4'-P energy: -11.193 bonds (distance) P-C4' energy: -14.921 flat angles C4'-P-C4' energy: -14.127 flat angles P-C4'-P energy: -12.063 tors. eta vs tors. theta energy: -15.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -141.040027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.040027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.040027 (E_RNA) where: Base-Base interactions energy: -82.624 where: short stacking energy: -47.881 Base-Backbone interact. energy: -0.675 local terms energy: -57.740655 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -13.832 flat angles C4'-P-C4' energy: -12.772 flat angles P-C4'-P energy: -8.807 tors. eta vs tors. theta energy: -9.303 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: 7 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -144.179235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.179235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.179235 (E_RNA) where: Base-Base interactions energy: -81.971 where: short stacking energy: -52.239 Base-Backbone interact. energy: -0.746 local terms energy: -61.462380 where: bonds (distance) C4'-P energy: -12.596 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -14.137 flat angles P-C4'-P energy: -8.039 tors. eta vs tors. theta energy: -11.149 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: 5, replica: 8 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -96.631484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.631484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.631484 (E_RNA) where: Base-Base interactions energy: -45.295 where: short stacking energy: -35.513 Base-Backbone interact. energy: -0.078 local terms energy: -51.258617 where: bonds (distance) C4'-P energy: -11.435 bonds (distance) P-C4' energy: -14.924 flat angles C4'-P-C4' energy: -10.920 flat angles P-C4'-P energy: -10.545 tors. eta vs tors. theta energy: -3.435 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: 9 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -85.345725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.345725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.345725 (E_RNA) where: Base-Base interactions energy: -39.194 where: short stacking energy: -32.640 Base-Backbone interact. energy: -1.178 local terms energy: -44.973601 where: bonds (distance) C4'-P energy: -10.552 bonds (distance) P-C4' energy: -10.092 flat angles C4'-P-C4' energy: -6.858 flat angles P-C4'-P energy: -8.924 tors. eta vs tors. theta energy: -8.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -82.759957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.759957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.759957 (E_RNA) where: Base-Base interactions energy: -29.681 where: short stacking energy: -29.681 Base-Backbone interact. energy: -0.017 local terms energy: -53.062338 where: bonds (distance) C4'-P energy: -14.814 bonds (distance) P-C4' energy: -12.064 flat angles C4'-P-C4' energy: -13.920 flat angles P-C4'-P energy: -9.976 tors. eta vs tors. theta energy: -2.289 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: 10 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -86.803539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.803539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.803539 (E_RNA) where: Base-Base interactions energy: -35.605 where: short stacking energy: -34.935 Base-Backbone interact. energy: -0.030 local terms energy: -51.167603 where: bonds (distance) C4'-P energy: -8.455 bonds (distance) P-C4' energy: -16.020 flat angles C4'-P-C4' energy: -10.815 flat angles P-C4'-P energy: -8.218 tors. eta vs tors. theta energy: -7.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -77.157415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.157415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.157415 (E_RNA) where: Base-Base interactions energy: -28.993 where: short stacking energy: -28.993 Base-Backbone interact. energy: -0.078 local terms energy: -48.087304 where: bonds (distance) C4'-P energy: -13.097 bonds (distance) P-C4' energy: -10.778 flat angles C4'-P-C4' energy: -8.463 flat angles P-C4'-P energy: -9.468 tors. eta vs tors. theta energy: -6.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -68.862824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.862824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.862824 (E_RNA) where: Base-Base interactions energy: -32.830 where: short stacking energy: -32.810 Base-Backbone interact. energy: -0.416 local terms energy: -35.616565 where: bonds (distance) C4'-P energy: -9.192 bonds (distance) P-C4' energy: -6.931 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -8.415 tors. eta vs tors. theta energy: -4.165 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: 466 Temperature: 0.900000 Total energy: -155.737861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.737861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.737861 (E_RNA) where: Base-Base interactions energy: -95.385 where: short stacking energy: -55.873 Base-Backbone interact. energy: -0.393 local terms energy: -59.960558 where: bonds (distance) C4'-P energy: -12.530 bonds (distance) P-C4' energy: -16.235 flat angles C4'-P-C4' energy: -13.574 flat angles P-C4'-P energy: -6.940 tors. eta vs tors. theta energy: -10.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -170.595424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.595424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.595424 (E_RNA) where: Base-Base interactions energy: -104.157 where: short stacking energy: -68.163 Base-Backbone interact. energy: -0.010 local terms energy: -66.429130 where: bonds (distance) C4'-P energy: -13.296 bonds (distance) P-C4' energy: -14.182 flat angles C4'-P-C4' energy: -13.750 flat angles P-C4'-P energy: -9.733 tors. eta vs tors. theta energy: -15.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -149.361851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.361851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.361851 (E_RNA) where: Base-Base interactions energy: -92.643 where: short stacking energy: -53.904 Base-Backbone interact. energy: -0.057 local terms energy: -56.661423 where: bonds (distance) C4'-P energy: -12.846 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -9.649 flat angles P-C4'-P energy: -11.208 tors. eta vs tors. theta energy: -10.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -139.754897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.754897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.754897 (E_RNA) where: Base-Base interactions energy: -83.337 where: short stacking energy: -47.354 Base-Backbone interact. energy: -0.014 local terms energy: -56.403440 where: bonds (distance) C4'-P energy: -11.453 bonds (distance) P-C4' energy: -12.286 flat angles C4'-P-C4' energy: -16.098 flat angles P-C4'-P energy: -7.671 tors. eta vs tors. theta energy: -8.895 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: 5, replica: 9 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -98.310683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.310683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.310683 (E_RNA) where: Base-Base interactions energy: -48.098 where: short stacking energy: -36.964 Base-Backbone interact. energy: -0.359 local terms energy: -49.853068 where: bonds (distance) C4'-P energy: -10.972 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -13.377 flat angles P-C4'-P energy: -9.172 tors. eta vs tors. theta energy: -1.997 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: 8 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -98.161529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.161529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.161529 (E_RNA) where: Base-Base interactions energy: -47.617 where: short stacking energy: -36.005 Base-Backbone interact. energy: -0.029 local terms energy: -50.515344 where: bonds (distance) C4'-P energy: -12.972 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -9.149 flat angles P-C4'-P energy: -9.317 tors. eta vs tors. theta energy: -4.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -90.890165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.890165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.890165 (E_RNA) where: Base-Base interactions energy: -38.947 where: short stacking energy: -38.758 Base-Backbone interact. energy: -0.025 local terms energy: -51.917508 where: bonds (distance) C4'-P energy: -12.186 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -12.927 flat angles P-C4'-P energy: -5.893 tors. eta vs tors. theta energy: -7.125 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: 8, replica: 10 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -71.605898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.605898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.605898 (E_RNA) where: Base-Base interactions energy: -25.581 where: short stacking energy: -23.447 Base-Backbone interact. energy: 0.921 local terms energy: -46.945254 where: bonds (distance) C4'-P energy: -14.367 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -7.635 tors. eta vs tors. theta energy: -3.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -75.459253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.459253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.459253 (E_RNA) where: Base-Base interactions energy: -26.220 where: short stacking energy: -26.685 Base-Backbone interact. energy: -1.428 local terms energy: -47.811246 where: bonds (distance) C4'-P energy: -13.051 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -10.134 flat angles P-C4'-P energy: -8.914 tors. eta vs tors. theta energy: -1.751 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: 1 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -68.741658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.741658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.741658 (E_RNA) where: Base-Base interactions energy: -25.924 where: short stacking energy: -25.924 Base-Backbone interact. energy: -0.134 local terms energy: -42.683194 where: bonds (distance) C4'-P energy: -10.492 bonds (distance) P-C4' energy: -12.275 flat angles C4'-P-C4' energy: -8.510 flat angles P-C4'-P energy: -8.571 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -151.613457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.613457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.613457 (E_RNA) where: Base-Base interactions energy: -94.291 where: short stacking energy: -64.320 Base-Backbone interact. energy: -0.155 local terms energy: -57.168198 where: bonds (distance) C4'-P energy: -11.299 bonds (distance) P-C4' energy: -15.240 flat angles C4'-P-C4' energy: -12.189 flat angles P-C4'-P energy: -6.735 tors. eta vs tors. theta energy: -11.705 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: 7 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -149.752903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.752903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.752903 (E_RNA) where: Base-Base interactions energy: -90.874 where: short stacking energy: -59.245 Base-Backbone interact. energy: -0.017 local terms energy: -58.862742 where: bonds (distance) C4'-P energy: -10.110 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -13.512 flat angles P-C4'-P energy: -10.362 tors. eta vs tors. theta energy: -10.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -146.552919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.552919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.552919 (E_RNA) where: Base-Base interactions energy: -91.638 where: short stacking energy: -48.533 Base-Backbone interact. energy: -0.202 local terms energy: -54.712817 where: bonds (distance) C4'-P energy: -12.078 bonds (distance) P-C4' energy: -10.544 flat angles C4'-P-C4' energy: -11.362 flat angles P-C4'-P energy: -9.280 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: 4, replica: 6 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -131.837326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.837326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.837326 (E_RNA) where: Base-Base interactions energy: -73.692 where: short stacking energy: -45.188 Base-Backbone interact. energy: -0.174 local terms energy: -57.970981 where: bonds (distance) C4'-P energy: -12.123 bonds (distance) P-C4' energy: -12.394 flat angles C4'-P-C4' energy: -13.124 flat angles P-C4'-P energy: -9.494 tors. eta vs tors. theta energy: -10.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -95.729694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.729694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.729694 (E_RNA) where: Base-Base interactions energy: -44.106 where: short stacking energy: -43.190 Base-Backbone interact. energy: -0.141 local terms energy: -51.482356 where: bonds (distance) C4'-P energy: -11.615 bonds (distance) P-C4' energy: -10.151 flat angles C4'-P-C4' energy: -14.102 flat angles P-C4'-P energy: -6.681 tors. eta vs tors. theta energy: -8.932 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: 3 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -98.305272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.305272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.305272 (E_RNA) where: Base-Base interactions energy: -39.397 where: short stacking energy: -37.376 Base-Backbone interact. energy: 1.418 local terms energy: -60.325887 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -13.865 flat angles P-C4'-P energy: -10.825 tors. eta vs tors. theta energy: -7.465 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: 7, replica: 8 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -85.425478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.425478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.425478 (E_RNA) where: Base-Base interactions energy: -32.847 where: short stacking energy: -31.222 Base-Backbone interact. energy: -0.074 local terms energy: -52.504597 where: bonds (distance) C4'-P energy: -14.413 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -6.281 tors. eta vs tors. theta energy: -3.200 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: 2 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -90.259611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.259611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.259611 (E_RNA) where: Base-Base interactions energy: -37.986 where: short stacking energy: -37.986 Base-Backbone interact. energy: 0.220 local terms energy: -52.493542 where: bonds (distance) C4'-P energy: -11.251 bonds (distance) P-C4' energy: -12.227 flat angles C4'-P-C4' energy: -10.169 flat angles P-C4'-P energy: -9.419 tors. eta vs tors. theta energy: -9.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -82.408563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.408563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.408563 (E_RNA) where: Base-Base interactions energy: -39.141 where: short stacking energy: -33.395 Base-Backbone interact. energy: -0.144 local terms energy: -43.124490 where: bonds (distance) C4'-P energy: -9.920 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -11.381 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -3.604 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: 10, replica: 1 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -72.904936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.904936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.904936 (E_RNA) where: Base-Base interactions energy: -28.334 where: short stacking energy: -26.699 Base-Backbone interact. energy: -0.028 local terms energy: -44.542355 where: bonds (distance) C4'-P energy: -11.611 bonds (distance) P-C4' energy: -12.249 flat angles C4'-P-C4' energy: -8.475 flat angles P-C4'-P energy: -8.064 tors. eta vs tors. theta energy: -4.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -166.505273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.505273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.505273 (E_RNA) where: Base-Base interactions energy: -101.982 where: short stacking energy: -63.064 Base-Backbone interact. energy: -0.093 local terms energy: -64.430909 where: bonds (distance) C4'-P energy: -13.332 bonds (distance) P-C4' energy: -15.774 flat angles C4'-P-C4' energy: -12.789 flat angles P-C4'-P energy: -8.134 tors. eta vs tors. theta energy: -14.403 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: 4 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -140.355066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.355066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.355066 (E_RNA) where: Base-Base interactions energy: -78.310 where: short stacking energy: -49.008 Base-Backbone interact. energy: -0.504 local terms energy: -61.541366 where: bonds (distance) C4'-P energy: -12.653 bonds (distance) P-C4' energy: -12.122 flat angles C4'-P-C4' energy: -12.395 flat angles P-C4'-P energy: -8.702 tors. eta vs tors. theta energy: -15.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -156.243684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.243684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.243684 (E_RNA) where: Base-Base interactions energy: -89.226 where: short stacking energy: -53.132 Base-Backbone interact. energy: -0.041 local terms energy: -66.977077 where: bonds (distance) C4'-P energy: -13.412 bonds (distance) P-C4' energy: -15.675 flat angles C4'-P-C4' energy: -10.442 flat angles P-C4'-P energy: -11.827 tors. eta vs tors. theta energy: -15.622 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: 468 Temperature: 1.050000 Total energy: -127.072578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.072578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.072578 (E_RNA) where: Base-Base interactions energy: -76.985 where: short stacking energy: -41.919 Base-Backbone interact. energy: -0.369 local terms energy: -49.718918 where: bonds (distance) C4'-P energy: -13.510 bonds (distance) P-C4' energy: -13.100 flat angles C4'-P-C4' energy: -9.224 flat angles P-C4'-P energy: -6.938 tors. eta vs tors. theta energy: -6.948 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: 3 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -102.769403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.769403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.769403 (E_RNA) where: Base-Base interactions energy: -51.489 where: short stacking energy: -51.489 Base-Backbone interact. energy: -0.024 local terms energy: -51.256100 where: bonds (distance) C4'-P energy: -10.135 bonds (distance) P-C4' energy: -11.446 flat angles C4'-P-C4' energy: -12.602 flat angles P-C4'-P energy: -8.223 tors. eta vs tors. theta energy: -8.850 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: 9 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -87.102775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.102775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.102775 (E_RNA) where: Base-Base interactions energy: -50.325 where: short stacking energy: -42.176 Base-Backbone interact. energy: -0.189 local terms energy: -36.588245 where: bonds (distance) C4'-P energy: -8.103 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -8.398 flat angles P-C4'-P energy: -0.766 tors. eta vs tors. theta energy: -4.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -104.140680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.140680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.140680 (E_RNA) where: Base-Base interactions energy: -50.535 where: short stacking energy: -50.535 Base-Backbone interact. energy: -0.062 local terms energy: -53.543916 where: bonds (distance) C4'-P energy: -8.455 bonds (distance) P-C4' energy: -12.897 flat angles C4'-P-C4' energy: -11.754 flat angles P-C4'-P energy: -10.165 tors. eta vs tors. theta energy: -10.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -84.950753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.950753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.950753 (E_RNA) where: Base-Base interactions energy: -41.883 where: short stacking energy: -31.483 Base-Backbone interact. energy: -0.153 local terms energy: -42.915034 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -8.431 flat angles C4'-P-C4' energy: -9.752 flat angles P-C4'-P energy: -6.956 tors. eta vs tors. theta energy: -4.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -78.611813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.611813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.611813 (E_RNA) where: Base-Base interactions energy: -29.584 where: short stacking energy: -29.520 Base-Backbone interact. energy: -0.009 local terms energy: -49.018247 where: bonds (distance) C4'-P energy: -14.102 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -9.017 flat angles P-C4'-P energy: -7.009 tors. eta vs tors. theta energy: -6.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -71.098289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.098289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.098289 (E_RNA) where: Base-Base interactions energy: -29.944 where: short stacking energy: -29.944 Base-Backbone interact. energy: -0.185 local terms energy: -40.969349 where: bonds (distance) C4'-P energy: -8.129 bonds (distance) P-C4' energy: -11.548 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -5.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -167.707271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.707271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.707271 (E_RNA) where: Base-Base interactions energy: -104.084 where: short stacking energy: -65.523 Base-Backbone interact. energy: -0.016 local terms energy: -63.606627 where: bonds (distance) C4'-P energy: -10.926 bonds (distance) P-C4' energy: -15.129 flat angles C4'-P-C4' energy: -10.765 flat angles P-C4'-P energy: -9.120 tors. eta vs tors. theta energy: -17.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -154.333789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.333789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.333789 (E_RNA) where: Base-Base interactions energy: -90.120 where: short stacking energy: -59.633 Base-Backbone interact. energy: -0.026 local terms energy: -64.188570 where: bonds (distance) C4'-P energy: -12.939 bonds (distance) P-C4' energy: -16.221 flat angles C4'-P-C4' energy: -13.730 flat angles P-C4'-P energy: -9.457 tors. eta vs tors. theta energy: -11.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -129.310774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.310774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.310774 (E_RNA) where: Base-Base interactions energy: -69.196 where: short stacking energy: -55.006 Base-Backbone interact. energy: -0.033 local terms energy: -60.081365 where: bonds (distance) C4'-P energy: -10.111 bonds (distance) P-C4' energy: -15.088 flat angles C4'-P-C4' energy: -14.363 flat angles P-C4'-P energy: -6.757 tors. eta vs tors. theta energy: -13.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -141.968116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.968116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.968116 (E_RNA) where: Base-Base interactions energy: -90.379 where: short stacking energy: -48.283 Base-Backbone interact. energy: -0.720 local terms energy: -50.869702 where: bonds (distance) C4'-P energy: -8.320 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -8.101 flat angles P-C4'-P energy: -6.393 tors. eta vs tors. theta energy: -14.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -104.811642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.811642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.811642 (E_RNA) where: Base-Base interactions energy: -47.638 where: short stacking energy: -31.092 Base-Backbone interact. energy: -0.285 local terms energy: -56.888668 where: bonds (distance) C4'-P energy: -14.447 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -11.778 flat angles P-C4'-P energy: -9.881 tors. eta vs tors. theta energy: -6.345 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: 2 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -128.509695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.509695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.509695 (E_RNA) where: Base-Base interactions energy: -70.556 where: short stacking energy: -43.248 Base-Backbone interact. energy: -0.045 local terms energy: -57.908102 where: bonds (distance) C4'-P energy: -14.036 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -14.163 flat angles P-C4'-P energy: -8.053 tors. eta vs tors. theta energy: -9.434 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: 9 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -101.779312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.779312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.779312 (E_RNA) where: Base-Base interactions energy: -46.464 where: short stacking energy: -46.464 Base-Backbone interact. energy: -0.039 local terms energy: -55.275768 where: bonds (distance) C4'-P energy: -12.443 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -11.884 flat angles P-C4'-P energy: -6.868 tors. eta vs tors. theta energy: -7.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -78.877996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.877996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.877996 (E_RNA) where: Base-Base interactions energy: -33.060 where: short stacking energy: -32.487 Base-Backbone interact. energy: -0.565 local terms energy: -45.252763 where: bonds (distance) C4'-P energy: -6.824 bonds (distance) P-C4' energy: -10.781 flat angles C4'-P-C4' energy: -12.902 flat angles P-C4'-P energy: -11.017 tors. eta vs tors. theta energy: -3.729 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: 10 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -82.407988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.407988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.407988 (E_RNA) where: Base-Base interactions energy: -29.718 where: short stacking energy: -28.048 Base-Backbone interact. energy: -0.011 local terms energy: -52.678551 where: bonds (distance) C4'-P energy: -11.456 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -12.010 flat angles P-C4'-P energy: -8.097 tors. eta vs tors. theta energy: -6.755 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: 1 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -69.591830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.591830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.591830 (E_RNA) where: Base-Base interactions energy: -35.409 where: short stacking energy: -20.625 Base-Backbone interact. energy: -0.146 local terms energy: -34.037079 where: bonds (distance) C4'-P energy: -12.328 bonds (distance) P-C4' energy: -9.410 flat angles C4'-P-C4' energy: -6.928 flat angles P-C4'-P energy: -8.315 tors. eta vs tors. theta energy: 2.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -152.667689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.667689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.667689 (E_RNA) where: Base-Base interactions energy: -91.323 where: short stacking energy: -51.577 Base-Backbone interact. energy: -0.383 local terms energy: -60.961441 where: bonds (distance) C4'-P energy: -12.541 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -13.049 flat angles P-C4'-P energy: -9.382 tors. eta vs tors. theta energy: -10.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -164.058230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.058230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.058230 (E_RNA) where: Base-Base interactions energy: -103.707 where: short stacking energy: -65.648 Base-Backbone interact. energy: -0.002 local terms energy: -60.349259 where: bonds (distance) C4'-P energy: -13.224 bonds (distance) P-C4' energy: -12.885 flat angles C4'-P-C4' energy: -11.232 flat angles P-C4'-P energy: -8.660 tors. eta vs tors. theta energy: -14.348 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: 5 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -133.713017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.713017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.713017 (E_RNA) where: Base-Base interactions energy: -70.858 where: short stacking energy: -58.606 Base-Backbone interact. energy: -1.367 local terms energy: -61.487760 where: bonds (distance) C4'-P energy: -13.684 bonds (distance) P-C4' energy: -10.962 flat angles C4'-P-C4' energy: -14.414 flat angles P-C4'-P energy: -8.323 tors. eta vs tors. theta energy: -14.104 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: 6 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -138.908633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.908633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.908633 (E_RNA) where: Base-Base interactions energy: -81.873 where: short stacking energy: -49.953 Base-Backbone interact. energy: 0.928 local terms energy: -57.964453 where: bonds (distance) C4'-P energy: -12.732 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -13.651 flat angles P-C4'-P energy: -7.648 tors. eta vs tors. theta energy: -9.312 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: 2 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -133.406332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.406332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.406332 (E_RNA) where: Base-Base interactions energy: -86.472 where: short stacking energy: -52.158 Base-Backbone interact. energy: -0.097 local terms energy: -46.837416 where: bonds (distance) C4'-P energy: -12.980 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -10.596 flat angles P-C4'-P energy: -1.293 tors. eta vs tors. theta energy: -9.370 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: 3 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -92.188091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.188091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.188091 (E_RNA) where: Base-Base interactions energy: -44.578 where: short stacking energy: -36.555 Base-Backbone interact. energy: -0.198 local terms energy: -47.411718 where: bonds (distance) C4'-P energy: -8.939 bonds (distance) P-C4' energy: -12.717 flat angles C4'-P-C4' energy: -11.006 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -8.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -83.710774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.710774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.710774 (E_RNA) where: Base-Base interactions energy: -42.996 where: short stacking energy: -31.687 Base-Backbone interact. energy: -0.101 local terms energy: -40.614285 where: bonds (distance) C4'-P energy: -11.998 bonds (distance) P-C4' energy: -10.014 flat angles C4'-P-C4' energy: -9.741 flat angles P-C4'-P energy: -6.793 tors. eta vs tors. theta energy: -2.069 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: 9 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -92.357856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.357856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.357856 (E_RNA) where: Base-Base interactions energy: -57.386 where: short stacking energy: -37.542 Base-Backbone interact. energy: -0.131 local terms energy: -34.840774 where: bonds (distance) C4'-P energy: -9.019 bonds (distance) P-C4' energy: -3.235 flat angles C4'-P-C4' energy: -9.094 flat angles P-C4'-P energy: -6.763 tors. eta vs tors. theta energy: -6.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -90.045419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.045419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.045419 (E_RNA) where: Base-Base interactions energy: -41.373 where: short stacking energy: -39.765 Base-Backbone interact. energy: -1.784 local terms energy: -46.888425 where: bonds (distance) C4'-P energy: -10.144 bonds (distance) P-C4' energy: -13.612 flat angles C4'-P-C4' energy: -12.002 flat angles P-C4'-P energy: -7.380 tors. eta vs tors. theta energy: -3.751 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: 10 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -86.200305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.200305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.200305 (E_RNA) where: Base-Base interactions energy: -50.803 where: short stacking energy: -43.308 Base-Backbone interact. energy: -0.049 local terms energy: -35.348332 where: bonds (distance) C4'-P energy: -5.458 bonds (distance) P-C4' energy: -5.488 flat angles C4'-P-C4' energy: -7.665 flat angles P-C4'-P energy: -6.327 tors. eta vs tors. theta energy: -10.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -155.688661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.688661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.688661 (E_RNA) where: Base-Base interactions energy: -92.987 where: short stacking energy: -57.235 Base-Backbone interact. energy: -0.246 local terms energy: -62.455040 where: bonds (distance) C4'-P energy: -13.369 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -13.396 flat angles P-C4'-P energy: -8.676 tors. eta vs tors. theta energy: -14.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -151.120752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.120752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.120752 (E_RNA) where: Base-Base interactions energy: -84.544 where: short stacking energy: -66.274 Base-Backbone interact. energy: -0.938 local terms energy: -65.638904 where: bonds (distance) C4'-P energy: -12.140 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -15.880 flat angles P-C4'-P energy: -9.427 tors. eta vs tors. theta energy: -15.052 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: 7 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -151.675512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.675512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.675512 (E_RNA) where: Base-Base interactions energy: -87.325 where: short stacking energy: -50.701 Base-Backbone interact. energy: -0.000 local terms energy: -64.350758 where: bonds (distance) C4'-P energy: -13.655 bonds (distance) P-C4' energy: -12.041 flat angles C4'-P-C4' energy: -14.011 flat angles P-C4'-P energy: -11.636 tors. eta vs tors. theta energy: -13.008 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: 2 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -134.910217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.910217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.910217 (E_RNA) where: Base-Base interactions energy: -73.708 where: short stacking energy: -47.157 Base-Backbone interact. energy: 0.587 local terms energy: -61.789192 where: bonds (distance) C4'-P energy: -12.355 bonds (distance) P-C4' energy: -11.499 flat angles C4'-P-C4' energy: -15.579 flat angles P-C4'-P energy: -10.021 tors. eta vs tors. theta energy: -12.334 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: 6 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -115.292383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.292383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.292383 (E_RNA) where: Base-Base interactions energy: -73.821 where: short stacking energy: -43.353 Base-Backbone interact. energy: -0.218 local terms energy: -41.253481 where: bonds (distance) C4'-P energy: -6.711 bonds (distance) P-C4' energy: -9.735 flat angles C4'-P-C4' energy: -10.777 flat angles P-C4'-P energy: -9.956 tors. eta vs tors. theta energy: -4.074 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: 8 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -107.804285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.804285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.804285 (E_RNA) where: Base-Base interactions energy: -55.164 where: short stacking energy: -44.238 Base-Backbone interact. energy: 1.537 local terms energy: -54.178051 where: bonds (distance) C4'-P energy: -9.871 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -14.332 flat angles P-C4'-P energy: -6.839 tors. eta vs tors. theta energy: -9.413 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: 3 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -95.898690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.898690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.898690 (E_RNA) where: Base-Base interactions energy: -41.981 where: short stacking energy: -39.378 Base-Backbone interact. energy: -0.066 local terms energy: -53.852325 where: bonds (distance) C4'-P energy: -15.079 bonds (distance) P-C4' energy: -11.461 flat angles C4'-P-C4' energy: -9.237 flat angles P-C4'-P energy: -6.358 tors. eta vs tors. theta energy: -11.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -88.960901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.960901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.960901 (E_RNA) where: Base-Base interactions energy: -44.080 where: short stacking energy: -44.080 Base-Backbone interact. energy: -0.032 local terms energy: -44.849489 where: bonds (distance) C4'-P energy: -13.465 bonds (distance) P-C4' energy: -5.430 flat angles C4'-P-C4' energy: -13.104 flat angles P-C4'-P energy: -7.813 tors. eta vs tors. theta energy: -5.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -69.804269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.804269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.804269 (E_RNA) where: Base-Base interactions energy: -28.786 where: short stacking energy: -25.851 Base-Backbone interact. energy: -0.057 local terms energy: -40.960932 where: bonds (distance) C4'-P energy: -11.309 bonds (distance) P-C4' energy: -10.486 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -8.148 tors. eta vs tors. theta energy: -2.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -68.440251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.440251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.440251 (E_RNA) where: Base-Base interactions energy: -31.151 where: short stacking energy: -28.002 Base-Backbone interact. energy: 0.361 local terms energy: -37.649832 where: bonds (distance) C4'-P energy: -7.926 bonds (distance) P-C4' energy: -12.085 flat angles C4'-P-C4' energy: -11.429 flat angles P-C4'-P energy: -1.075 tors. eta vs tors. theta energy: -5.136 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: 4 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -154.273965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.273965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.273965 (E_RNA) where: Base-Base interactions energy: -98.186 where: short stacking energy: -54.169 Base-Backbone interact. energy: -0.104 local terms energy: -55.983631 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -10.731 flat angles C4'-P-C4' energy: -10.515 flat angles P-C4'-P energy: -9.771 tors. eta vs tors. theta energy: -11.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -147.088779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.088779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.088779 (E_RNA) where: Base-Base interactions energy: -90.436 where: short stacking energy: -52.541 Base-Backbone interact. energy: -0.250 local terms energy: -56.403147 where: bonds (distance) C4'-P energy: -11.538 bonds (distance) P-C4' energy: -13.275 flat angles C4'-P-C4' energy: -13.568 flat angles P-C4'-P energy: -6.360 tors. eta vs tors. theta energy: -11.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -136.649218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.649218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.649218 (E_RNA) where: Base-Base interactions energy: -76.447 where: short stacking energy: -45.187 Base-Backbone interact. energy: -0.008 local terms energy: -60.194397 where: bonds (distance) C4'-P energy: -14.359 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -13.718 flat angles P-C4'-P energy: -9.071 tors. eta vs tors. theta energy: -9.672 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: 7 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -141.002060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.002060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.002060 (E_RNA) where: Base-Base interactions energy: -85.167 where: short stacking energy: -50.326 Base-Backbone interact. energy: -0.012 local terms energy: -55.823647 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -14.672 flat angles C4'-P-C4' energy: -9.659 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -15.246 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: 8 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -98.859117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.859117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.859117 (E_RNA) where: Base-Base interactions energy: -54.062 where: short stacking energy: -40.627 Base-Backbone interact. energy: -0.113 local terms energy: -44.684823 where: bonds (distance) C4'-P energy: -11.783 bonds (distance) P-C4' energy: -11.734 flat angles C4'-P-C4' energy: -12.849 flat angles P-C4'-P energy: -6.183 tors. eta vs tors. theta energy: -2.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -119.746244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.746244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.746244 (E_RNA) where: Base-Base interactions energy: -74.281 where: short stacking energy: -48.329 Base-Backbone interact. energy: 2.561 local terms energy: -48.026594 where: bonds (distance) C4'-P energy: -11.477 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -8.207 flat angles P-C4'-P energy: -8.131 tors. eta vs tors. theta energy: -6.682 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: 3 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -91.061458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.061458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.061458 (E_RNA) where: Base-Base interactions energy: -45.927 where: short stacking energy: -30.377 Base-Backbone interact. energy: -0.137 local terms energy: -44.997505 where: bonds (distance) C4'-P energy: -10.661 bonds (distance) P-C4' energy: -14.701 flat angles C4'-P-C4' energy: -10.727 flat angles P-C4'-P energy: -5.698 tors. eta vs tors. theta energy: -3.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -98.380251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.380251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.380251 (E_RNA) where: Base-Base interactions energy: -46.944 where: short stacking energy: -46.944 Base-Backbone interact. energy: 0.116 local terms energy: -51.552333 where: bonds (distance) C4'-P energy: -10.961 bonds (distance) P-C4' energy: -11.100 flat angles C4'-P-C4' energy: -9.233 flat angles P-C4'-P energy: -5.792 tors. eta vs tors. theta energy: -14.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -81.731711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.731711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.731711 (E_RNA) where: Base-Base interactions energy: -35.152 where: short stacking energy: -32.743 Base-Backbone interact. energy: 0.938 local terms energy: -47.517478 where: bonds (distance) C4'-P energy: -10.331 bonds (distance) P-C4' energy: -11.368 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -7.135 tors. eta vs tors. theta energy: -5.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -84.895968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.895968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.895968 (E_RNA) where: Base-Base interactions energy: -33.502 where: short stacking energy: -21.502 Base-Backbone interact. energy: -0.176 local terms energy: -51.217713 where: bonds (distance) C4'-P energy: -11.255 bonds (distance) P-C4' energy: -14.793 flat angles C4'-P-C4' energy: -14.950 flat angles P-C4'-P energy: -7.299 tors. eta vs tors. theta energy: -2.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -173.785972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.785972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.785972 (E_RNA) where: Base-Base interactions energy: -108.397 where: short stacking energy: -62.929 Base-Backbone interact. energy: 0.104 local terms energy: -65.493480 where: bonds (distance) C4'-P energy: -15.605 bonds (distance) P-C4' energy: -14.988 flat angles C4'-P-C4' energy: -12.567 flat angles P-C4'-P energy: -9.249 tors. eta vs tors. theta energy: -13.085 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: 2, replica: 2 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -152.280796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.280796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.280796 (E_RNA) where: Base-Base interactions energy: -92.666 where: short stacking energy: -61.654 Base-Backbone interact. energy: -0.001 local terms energy: -59.613786 where: bonds (distance) C4'-P energy: -13.486 bonds (distance) P-C4' energy: -13.090 flat angles C4'-P-C4' energy: -13.058 flat angles P-C4'-P energy: -9.362 tors. eta vs tors. theta energy: -10.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -133.523643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.523643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.523643 (E_RNA) where: Base-Base interactions energy: -73.309 where: short stacking energy: -51.114 Base-Backbone interact. energy: -0.762 local terms energy: -59.453282 where: bonds (distance) C4'-P energy: -10.815 bonds (distance) P-C4' energy: -12.361 flat angles C4'-P-C4' energy: -14.365 flat angles P-C4'-P energy: -9.827 tors. eta vs tors. theta energy: -12.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -125.084742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.084742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.084742 (E_RNA) where: Base-Base interactions energy: -75.376 where: short stacking energy: -46.389 Base-Backbone interact. energy: -0.225 local terms energy: -49.483892 where: bonds (distance) C4'-P energy: -13.808 bonds (distance) P-C4' energy: -12.344 flat angles C4'-P-C4' energy: -11.190 flat angles P-C4'-P energy: -3.450 tors. eta vs tors. theta energy: -8.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -101.733392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.733392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.733392 (E_RNA) where: Base-Base interactions energy: -55.638 where: short stacking energy: -40.681 Base-Backbone interact. energy: -0.195 local terms energy: -45.900441 where: bonds (distance) C4'-P energy: -11.779 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -14.217 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -6.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -130.153989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.153989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.153989 (E_RNA) where: Base-Base interactions energy: -75.913 where: short stacking energy: -44.059 Base-Backbone interact. energy: -0.144 local terms energy: -54.096965 where: bonds (distance) C4'-P energy: -13.291 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -11.162 flat angles P-C4'-P energy: -8.473 tors. eta vs tors. theta energy: -8.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -85.789238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.789238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.789238 (E_RNA) where: Base-Base interactions energy: -35.077 where: short stacking energy: -34.859 Base-Backbone interact. energy: -0.165 local terms energy: -50.547140 where: bonds (distance) C4'-P energy: -9.515 bonds (distance) P-C4' energy: -10.883 flat angles C4'-P-C4' energy: -10.197 flat angles P-C4'-P energy: -9.727 tors. eta vs tors. theta energy: -10.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -85.923153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.923153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.923153 (E_RNA) where: Base-Base interactions energy: -43.122 where: short stacking energy: -43.122 Base-Backbone interact. energy: -0.007 local terms energy: -42.794525 where: bonds (distance) C4'-P energy: -3.429 bonds (distance) P-C4' energy: -12.184 flat angles C4'-P-C4' energy: -9.814 flat angles P-C4'-P energy: -6.435 tors. eta vs tors. theta energy: -10.933 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: 10 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -75.658882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.658882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.658882 (E_RNA) where: Base-Base interactions energy: -32.397 where: short stacking energy: -29.822 Base-Backbone interact. energy: -0.102 local terms energy: -43.160191 where: bonds (distance) C4'-P energy: -10.106 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -8.719 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -6.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -75.557090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.557090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.557090 (E_RNA) where: Base-Base interactions energy: -34.884 where: short stacking energy: -27.387 Base-Backbone interact. energy: 1.825 local terms energy: -42.498050 where: bonds (distance) C4'-P energy: -5.127 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -12.470 flat angles P-C4'-P energy: -10.788 tors. eta vs tors. theta energy: -1.514 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: 4 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -174.716167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.716167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.716167 (E_RNA) where: Base-Base interactions energy: -111.717 where: short stacking energy: -62.831 Base-Backbone interact. energy: -0.419 local terms energy: -62.580302 where: bonds (distance) C4'-P energy: -11.126 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -13.851 flat angles P-C4'-P energy: -9.370 tors. eta vs tors. theta energy: -13.883 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: 2, replica: 2 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -145.727907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.727907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.727907 (E_RNA) where: Base-Base interactions energy: -81.827 where: short stacking energy: -52.967 Base-Backbone interact. energy: -0.205 local terms energy: -63.695776 where: bonds (distance) C4'-P energy: -11.006 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -13.477 flat angles P-C4'-P energy: -11.458 tors. eta vs tors. theta energy: -12.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -137.470834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.470834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.470834 (E_RNA) where: Base-Base interactions energy: -75.925 where: short stacking energy: -46.689 Base-Backbone interact. energy: 0.336 local terms energy: -61.881168 where: bonds (distance) C4'-P energy: -11.511 bonds (distance) P-C4' energy: -14.502 flat angles C4'-P-C4' energy: -14.026 flat angles P-C4'-P energy: -8.513 tors. eta vs tors. theta energy: -13.329 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: 5 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -149.751271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.751271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.751271 (E_RNA) where: Base-Base interactions energy: -82.861 where: short stacking energy: -53.632 Base-Backbone interact. energy: -0.492 local terms energy: -66.397614 where: bonds (distance) C4'-P energy: -14.835 bonds (distance) P-C4' energy: -13.823 flat angles C4'-P-C4' energy: -12.979 flat angles P-C4'-P energy: -12.843 tors. eta vs tors. theta energy: -11.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -107.873084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.873084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.873084 (E_RNA) where: Base-Base interactions energy: -67.303 where: short stacking energy: -41.361 Base-Backbone interact. energy: 3.630 local terms energy: -44.200636 where: bonds (distance) C4'-P energy: -11.454 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -9.094 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -2.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -92.415676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.415676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.415676 (E_RNA) where: Base-Base interactions energy: -45.058 where: short stacking energy: -42.576 Base-Backbone interact. energy: -0.143 local terms energy: -47.215013 where: bonds (distance) C4'-P energy: -12.071 bonds (distance) P-C4' energy: -11.785 flat angles C4'-P-C4' energy: -9.330 flat angles P-C4'-P energy: -11.558 tors. eta vs tors. theta energy: -2.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -89.393792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.393792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.393792 (E_RNA) where: Base-Base interactions energy: -37.874 where: short stacking energy: -35.245 Base-Backbone interact. energy: -0.083 local terms energy: -51.437387 where: bonds (distance) C4'-P energy: -10.777 bonds (distance) P-C4' energy: -13.588 flat angles C4'-P-C4' energy: -11.733 flat angles P-C4'-P energy: -5.713 tors. eta vs tors. theta energy: -9.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -83.105780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.105780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.105780 (E_RNA) where: Base-Base interactions energy: -36.613 where: short stacking energy: -36.613 Base-Backbone interact. energy: -0.141 local terms energy: -46.352361 where: bonds (distance) C4'-P energy: -8.977 bonds (distance) P-C4' energy: -11.321 flat angles C4'-P-C4' energy: -10.042 flat angles P-C4'-P energy: -7.646 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: 9, replica: 9 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -72.664228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.664228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.664228 (E_RNA) where: Base-Base interactions energy: -25.916 where: short stacking energy: -21.304 Base-Backbone interact. energy: -1.138 local terms energy: -45.610491 where: bonds (distance) C4'-P energy: -10.372 bonds (distance) P-C4' energy: -11.452 flat angles C4'-P-C4' energy: -9.497 flat angles P-C4'-P energy: -9.571 tors. eta vs tors. theta energy: -4.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -77.496515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.496515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.496515 (E_RNA) where: Base-Base interactions energy: -31.235 where: short stacking energy: -30.178 Base-Backbone interact. energy: 0.075 local terms energy: -46.336084 where: bonds (distance) C4'-P energy: -13.750 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -13.470 flat angles P-C4'-P energy: -8.668 tors. eta vs tors. theta energy: 3.918 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: 4 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -166.647770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.647770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.647770 (E_RNA) where: Base-Base interactions energy: -105.907 where: short stacking energy: -58.235 Base-Backbone interact. energy: -0.726 local terms energy: -60.015019 where: bonds (distance) C4'-P energy: -8.862 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -14.061 flat angles P-C4'-P energy: -10.125 tors. eta vs tors. theta energy: -13.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -149.581764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.581764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.581764 (E_RNA) where: Base-Base interactions energy: -90.118 where: short stacking energy: -53.297 Base-Backbone interact. energy: -0.773 local terms energy: -58.690271 where: bonds (distance) C4'-P energy: -14.918 bonds (distance) P-C4' energy: -10.647 flat angles C4'-P-C4' energy: -11.941 flat angles P-C4'-P energy: -9.075 tors. eta vs tors. theta energy: -12.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -126.374283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.374283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.374283 (E_RNA) where: Base-Base interactions energy: -74.296 where: short stacking energy: -41.673 Base-Backbone interact. energy: -0.591 local terms energy: -51.487546 where: bonds (distance) C4'-P energy: -14.326 bonds (distance) P-C4' energy: -12.780 flat angles C4'-P-C4' energy: -9.237 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: -9.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -145.864228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.864228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.864228 (E_RNA) where: Base-Base interactions energy: -88.161 where: short stacking energy: -55.182 Base-Backbone interact. energy: 0.608 local terms energy: -58.311565 where: bonds (distance) C4'-P energy: -10.986 bonds (distance) P-C4' energy: -12.769 flat angles C4'-P-C4' energy: -14.114 flat angles P-C4'-P energy: -9.787 tors. eta vs tors. theta energy: -10.656 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: 6 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -103.128722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.128722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.128722 (E_RNA) where: Base-Base interactions energy: -50.949 where: short stacking energy: -50.949 Base-Backbone interact. energy: -0.000 local terms energy: -52.178772 where: bonds (distance) C4'-P energy: -9.561 bonds (distance) P-C4' energy: -11.402 flat angles C4'-P-C4' energy: -14.172 flat angles P-C4'-P energy: -8.858 tors. eta vs tors. theta energy: -8.186 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: 1 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -111.023141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.023141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.023141 (E_RNA) where: Base-Base interactions energy: -60.304 where: short stacking energy: -35.995 Base-Backbone interact. energy: -0.301 local terms energy: -50.418259 where: bonds (distance) C4'-P energy: -11.782 bonds (distance) P-C4' energy: -12.625 flat angles C4'-P-C4' energy: -11.298 flat angles P-C4'-P energy: -8.805 tors. eta vs tors. theta energy: -5.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -123.525526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.525526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.525526 (E_RNA) where: Base-Base interactions energy: -69.310 where: short stacking energy: -39.588 Base-Backbone interact. energy: 0.014 local terms energy: -54.230334 where: bonds (distance) C4'-P energy: -11.871 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -10.684 flat angles P-C4'-P energy: -10.580 tors. eta vs tors. theta energy: -5.098 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: 9 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -76.124808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.124808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.124808 (E_RNA) where: Base-Base interactions energy: -44.779 where: short stacking energy: -34.867 Base-Backbone interact. energy: 1.703 local terms energy: -33.048262 where: bonds (distance) C4'-P energy: -8.873 bonds (distance) P-C4' energy: -10.467 flat angles C4'-P-C4' energy: -10.548 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: 0.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -92.010920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.010920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.010920 (E_RNA) where: Base-Base interactions energy: -41.341 where: short stacking energy: -41.341 Base-Backbone interact. energy: -0.118 local terms energy: -50.552433 where: bonds (distance) C4'-P energy: -11.609 bonds (distance) P-C4' energy: -11.325 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -7.354 tors. eta vs tors. theta energy: -7.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -70.307103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.307103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.307103 (E_RNA) where: Base-Base interactions energy: -30.320 where: short stacking energy: -28.772 Base-Backbone interact. energy: -0.166 local terms energy: -39.820650 where: bonds (distance) C4'-P energy: -9.641 bonds (distance) P-C4' energy: -10.994 flat angles C4'-P-C4' energy: -12.304 flat angles P-C4'-P energy: -7.089 tors. eta vs tors. theta energy: 0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -143.950752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.950752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.950752 (E_RNA) where: Base-Base interactions energy: -87.471 where: short stacking energy: -51.812 Base-Backbone interact. energy: -0.094 local terms energy: -56.385648 where: bonds (distance) C4'-P energy: -10.176 bonds (distance) P-C4' energy: -12.109 flat angles C4'-P-C4' energy: -13.613 flat angles P-C4'-P energy: -6.150 tors. eta vs tors. theta energy: -14.338 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: 4 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -159.360928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.360928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.360928 (E_RNA) where: Base-Base interactions energy: -96.668 where: short stacking energy: -61.905 Base-Backbone interact. energy: 0.062 local terms energy: -62.754603 where: bonds (distance) C4'-P energy: -14.459 bonds (distance) P-C4' energy: -10.030 flat angles C4'-P-C4' energy: -15.791 flat angles P-C4'-P energy: -8.835 tors. eta vs tors. theta energy: -13.640 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: 5 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -156.359597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.359597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.359597 (E_RNA) where: Base-Base interactions energy: -100.188 where: short stacking energy: -63.107 Base-Backbone interact. energy: 0.174 local terms energy: -56.345099 where: bonds (distance) C4'-P energy: -13.187 bonds (distance) P-C4' energy: -9.162 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -7.582 tors. eta vs tors. theta energy: -13.465 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: 7 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -132.893178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.893178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.893178 (E_RNA) where: Base-Base interactions energy: -82.725 where: short stacking energy: -51.537 Base-Backbone interact. energy: -0.549 local terms energy: -49.618660 where: bonds (distance) C4'-P energy: -12.462 bonds (distance) P-C4' energy: -10.631 flat angles C4'-P-C4' energy: -11.938 flat angles P-C4'-P energy: -6.932 tors. eta vs tors. theta energy: -7.655 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: 476 Temperature: 1.100000 Total energy: -114.678426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.678426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.678426 (E_RNA) where: Base-Base interactions energy: -59.198 where: short stacking energy: -37.657 Base-Backbone interact. energy: -1.599 local terms energy: -53.880963 where: bonds (distance) C4'-P energy: -11.383 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -14.235 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -8.093 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: 6 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -106.068447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.068447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.068447 (E_RNA) where: Base-Base interactions energy: -58.299 where: short stacking energy: -38.815 Base-Backbone interact. energy: -0.328 local terms energy: -47.441833 where: bonds (distance) C4'-P energy: -10.212 bonds (distance) P-C4' energy: -12.029 flat angles C4'-P-C4' energy: -10.997 flat angles P-C4'-P energy: -5.667 tors. eta vs tors. theta energy: -8.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -93.123026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.123026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.123026 (E_RNA) where: Base-Base interactions energy: -43.283 where: short stacking energy: -37.401 Base-Backbone interact. energy: 0.610 local terms energy: -50.449890 where: bonds (distance) C4'-P energy: -11.300 bonds (distance) P-C4' energy: -14.939 flat angles C4'-P-C4' energy: -10.226 flat angles P-C4'-P energy: -4.413 tors. eta vs tors. theta energy: -9.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -81.380856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.380856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.380856 (E_RNA) where: Base-Base interactions energy: -36.419 where: short stacking energy: -34.719 Base-Backbone interact. energy: -0.052 local terms energy: -44.909826 where: bonds (distance) C4'-P energy: -9.586 bonds (distance) P-C4' energy: -10.301 flat angles C4'-P-C4' energy: -11.713 flat angles P-C4'-P energy: -7.408 tors. eta vs tors. theta energy: -5.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -80.771799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.771799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.771799 (E_RNA) where: Base-Base interactions energy: -43.443 where: short stacking energy: -36.936 Base-Backbone interact. energy: -0.018 local terms energy: -37.310571 where: bonds (distance) C4'-P energy: -13.758 bonds (distance) P-C4' energy: -8.053 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -3.311 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: 3 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -73.246840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.246840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.246840 (E_RNA) where: Base-Base interactions energy: -28.398 where: short stacking energy: -26.531 Base-Backbone interact. energy: -0.108 local terms energy: -44.741278 where: bonds (distance) C4'-P energy: -12.319 bonds (distance) P-C4' energy: -11.994 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: -9.437 tors. eta vs tors. theta energy: -4.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -157.573826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.573826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.573826 (E_RNA) where: Base-Base interactions energy: -100.585 where: short stacking energy: -67.147 Base-Backbone interact. energy: -0.080 local terms energy: -56.909307 where: bonds (distance) C4'-P energy: -11.072 bonds (distance) P-C4' energy: -13.621 flat angles C4'-P-C4' energy: -7.555 flat angles P-C4'-P energy: -9.348 tors. eta vs tors. theta energy: -15.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -168.452641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.452641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.452641 (E_RNA) where: Base-Base interactions energy: -106.206 where: short stacking energy: -65.102 Base-Backbone interact. energy: -0.002 local terms energy: -62.244781 where: bonds (distance) C4'-P energy: -12.396 bonds (distance) P-C4' energy: -8.725 flat angles C4'-P-C4' energy: -13.444 flat angles P-C4'-P energy: -11.544 tors. eta vs tors. theta energy: -16.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -150.389426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.389426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.389426 (E_RNA) where: Base-Base interactions energy: -89.596 where: short stacking energy: -54.948 Base-Backbone interact. energy: -0.007 local terms energy: -60.786323 where: bonds (distance) C4'-P energy: -14.210 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -11.717 flat angles P-C4'-P energy: -8.735 tors. eta vs tors. theta energy: -10.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -111.697295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.697295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.697295 (E_RNA) where: Base-Base interactions energy: -53.968 where: short stacking energy: -53.968 Base-Backbone interact. energy: -0.095 local terms energy: -57.634110 where: bonds (distance) C4'-P energy: -8.464 bonds (distance) P-C4' energy: -12.682 flat angles C4'-P-C4' energy: -13.862 flat angles P-C4'-P energy: -8.682 tors. eta vs tors. theta energy: -13.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -132.728737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.728737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.728737 (E_RNA) where: Base-Base interactions energy: -74.604 where: short stacking energy: -44.689 Base-Backbone interact. energy: -0.167 local terms energy: -57.957780 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -9.983 flat angles P-C4'-P energy: -10.656 tors. eta vs tors. theta energy: -10.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -92.442799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.442799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.442799 (E_RNA) where: Base-Base interactions energy: -48.035 where: short stacking energy: -45.991 Base-Backbone interact. energy: -0.044 local terms energy: -44.363813 where: bonds (distance) C4'-P energy: -9.238 bonds (distance) P-C4' energy: -11.609 flat angles C4'-P-C4' energy: -11.189 flat angles P-C4'-P energy: -5.836 tors. eta vs tors. theta energy: -6.492 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: 7, replica: 6 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -111.010798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.010798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.010798 (E_RNA) where: Base-Base interactions energy: -58.594 where: short stacking energy: -35.508 Base-Backbone interact. energy: -0.727 local terms energy: -51.689506 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -14.581 flat angles C4'-P-C4' energy: -7.860 flat angles P-C4'-P energy: -11.385 tors. eta vs tors. theta energy: -3.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -82.361327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.361327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.361327 (E_RNA) where: Base-Base interactions energy: -37.961 where: short stacking energy: -37.505 Base-Backbone interact. energy: -0.025 local terms energy: -44.374661 where: bonds (distance) C4'-P energy: -13.108 bonds (distance) P-C4' energy: -10.783 flat angles C4'-P-C4' energy: -8.083 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: -7.826 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: 10 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -87.623231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.623231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.623231 (E_RNA) where: Base-Base interactions energy: -48.266 where: short stacking energy: -23.516 Base-Backbone interact. energy: -0.198 local terms energy: -39.159028 where: bonds (distance) C4'-P energy: -13.213 bonds (distance) P-C4' energy: -11.473 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -4.959 tors. eta vs tors. theta energy: -2.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -74.741545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.741545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.741545 (E_RNA) where: Base-Base interactions energy: -25.760 where: short stacking energy: -25.758 Base-Backbone interact. energy: -0.106 local terms energy: -48.876285 where: bonds (distance) C4'-P energy: -12.703 bonds (distance) P-C4' energy: -12.285 flat angles C4'-P-C4' energy: -13.104 flat angles P-C4'-P energy: -9.405 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: 5 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -165.145106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.145106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.145106 (E_RNA) where: Base-Base interactions energy: -102.958 where: short stacking energy: -62.150 Base-Backbone interact. energy: -0.082 local terms energy: -62.104506 where: bonds (distance) C4'-P energy: -15.357 bonds (distance) P-C4' energy: -9.846 flat angles C4'-P-C4' energy: -14.869 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -17.372 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: 2, replica: 2 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -154.813654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.813654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.813654 (E_RNA) where: Base-Base interactions energy: -88.601 where: short stacking energy: -55.264 Base-Backbone interact. energy: -0.043 local terms energy: -66.169889 where: bonds (distance) C4'-P energy: -11.258 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -14.127 flat angles P-C4'-P energy: -11.606 tors. eta vs tors. theta energy: -14.082 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: 478 Temperature: 1.000000 Total energy: -99.993314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.993314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.993314 (E_RNA) where: Base-Base interactions energy: -50.674 where: short stacking energy: -40.293 Base-Backbone interact. energy: -0.752 local terms energy: -48.567303 where: bonds (distance) C4'-P energy: -12.500 bonds (distance) P-C4' energy: -12.888 flat angles C4'-P-C4' energy: -13.042 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -5.616 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: 4 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -156.478013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.478013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.478013 (E_RNA) where: Base-Base interactions energy: -93.427 where: short stacking energy: -58.823 Base-Backbone interact. energy: -0.085 local terms energy: -62.966336 where: bonds (distance) C4'-P energy: -12.640 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -13.533 flat angles P-C4'-P energy: -11.012 tors. eta vs tors. theta energy: -12.224 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: 5, replica: 9 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -121.389254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.389254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.389254 (E_RNA) where: Base-Base interactions energy: -73.015 where: short stacking energy: -46.270 Base-Backbone interact. energy: -0.131 local terms energy: -48.243743 where: bonds (distance) C4'-P energy: -12.152 bonds (distance) P-C4' energy: -11.666 flat angles C4'-P-C4' energy: -11.714 flat angles P-C4'-P energy: -6.139 tors. eta vs tors. theta energy: -6.572 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: 7 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -128.689203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.689203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.689203 (E_RNA) where: Base-Base interactions energy: -75.102 where: short stacking energy: -48.259 Base-Backbone interact. energy: -0.015 local terms energy: -53.571904 where: bonds (distance) C4'-P energy: -11.172 bonds (distance) P-C4' energy: -9.908 flat angles C4'-P-C4' energy: -12.930 flat angles P-C4'-P energy: -6.904 tors. eta vs tors. theta energy: -12.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -86.870750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.870750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.870750 (E_RNA) where: Base-Base interactions energy: -42.327 where: short stacking energy: -32.978 Base-Backbone interact. energy: -0.901 local terms energy: -43.642247 where: bonds (distance) C4'-P energy: -11.509 bonds (distance) P-C4' energy: -10.633 flat angles C4'-P-C4' energy: -11.042 flat angles P-C4'-P energy: -6.303 tors. eta vs tors. theta energy: -4.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -79.226068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.226068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.226068 (E_RNA) where: Base-Base interactions energy: -36.475 where: short stacking energy: -33.797 Base-Backbone interact. energy: 0.937 local terms energy: -43.688424 where: bonds (distance) C4'-P energy: -9.838 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -13.704 flat angles P-C4'-P energy: -5.881 tors. eta vs tors. theta energy: -1.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -69.300458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.300458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.300458 (E_RNA) where: Base-Base interactions energy: -29.014 where: short stacking energy: -29.414 Base-Backbone interact. energy: 0.565 local terms energy: -40.851129 where: bonds (distance) C4'-P energy: -11.511 bonds (distance) P-C4' energy: -10.318 flat angles C4'-P-C4' energy: -11.821 flat angles P-C4'-P energy: -7.585 tors. eta vs tors. theta energy: 0.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -82.906889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.906889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.906889 (E_RNA) where: Base-Base interactions energy: -35.560 where: short stacking energy: -35.560 Base-Backbone interact. energy: -0.065 local terms energy: -47.281676 where: bonds (distance) C4'-P energy: -14.289 bonds (distance) P-C4' energy: -9.876 flat angles C4'-P-C4' energy: -8.190 flat angles P-C4'-P energy: -5.928 tors. eta vs tors. theta energy: -8.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -164.608075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.608075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.608075 (E_RNA) where: Base-Base interactions energy: -89.874 where: short stacking energy: -61.114 Base-Backbone interact. energy: -0.023 local terms energy: -74.711674 where: bonds (distance) C4'-P energy: -14.707 bonds (distance) P-C4' energy: -16.023 flat angles C4'-P-C4' energy: -16.079 flat angles P-C4'-P energy: -11.152 tors. eta vs tors. theta energy: -16.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -137.763497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.763497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.763497 (E_RNA) where: Base-Base interactions energy: -82.938 where: short stacking energy: -41.497 Base-Backbone interact. energy: -0.065 local terms energy: -54.761307 where: bonds (distance) C4'-P energy: -11.867 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -10.549 flat angles P-C4'-P energy: -9.883 tors. eta vs tors. theta energy: -7.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -105.727905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.727905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.727905 (E_RNA) where: Base-Base interactions energy: -47.745 where: short stacking energy: -47.745 Base-Backbone interact. energy: -0.105 local terms energy: -57.878071 where: bonds (distance) C4'-P energy: -12.881 bonds (distance) P-C4' energy: -15.458 flat angles C4'-P-C4' energy: -10.821 flat angles P-C4'-P energy: -10.027 tors. eta vs tors. theta energy: -8.690 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: 479 Temperature: 1.050000 Total energy: -126.746509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.746509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.746509 (E_RNA) where: Base-Base interactions energy: -79.312 where: short stacking energy: -47.076 Base-Backbone interact. energy: -0.003 local terms energy: -47.431970 where: bonds (distance) C4'-P energy: -13.038 bonds (distance) P-C4' energy: -13.626 flat angles C4'-P-C4' energy: -10.959 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -4.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -145.151842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.151842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.151842 (E_RNA) where: Base-Base interactions energy: -88.830 where: short stacking energy: -58.987 Base-Backbone interact. energy: -0.430 local terms energy: -55.891995 where: bonds (distance) C4'-P energy: -13.270 bonds (distance) P-C4' energy: -9.616 flat angles C4'-P-C4' energy: -10.385 flat angles P-C4'-P energy: -10.126 tors. eta vs tors. theta energy: -12.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -129.172620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.172620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.172620 (E_RNA) where: Base-Base interactions energy: -78.976 where: short stacking energy: -46.318 Base-Backbone interact. energy: -0.013 local terms energy: -50.183620 where: bonds (distance) C4'-P energy: -10.650 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -12.277 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -8.624 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: 8 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -99.812719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.812719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.812719 (E_RNA) where: Base-Base interactions energy: -51.416 where: short stacking energy: -37.831 Base-Backbone interact. energy: -0.001 local terms energy: -48.395060 where: bonds (distance) C4'-P energy: -12.045 bonds (distance) P-C4' energy: -12.434 flat angles C4'-P-C4' energy: -10.615 flat angles P-C4'-P energy: -6.116 tors. eta vs tors. theta energy: -7.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -76.375172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.375172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.375172 (E_RNA) where: Base-Base interactions energy: -32.092 where: short stacking energy: -30.131 Base-Backbone interact. energy: -0.368 local terms energy: -43.915473 where: bonds (distance) C4'-P energy: -10.422 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -11.607 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: -2.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -70.986896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.986896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.986896 (E_RNA) where: Base-Base interactions energy: -28.693 where: short stacking energy: -26.393 Base-Backbone interact. energy: 2.223 local terms energy: -44.517729 where: bonds (distance) C4'-P energy: -12.782 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -11.677 flat angles P-C4'-P energy: -4.081 tors. eta vs tors. theta energy: -0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -75.838955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.838955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.838955 (E_RNA) where: Base-Base interactions energy: -34.031 where: short stacking energy: -21.420 Base-Backbone interact. energy: -1.036 local terms energy: -40.772299 where: bonds (distance) C4'-P energy: -10.153 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -8.526 flat angles P-C4'-P energy: -6.720 tors. eta vs tors. theta energy: -2.534 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: 5 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -169.378896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.378896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.378896 (E_RNA) where: Base-Base interactions energy: -95.507 where: short stacking energy: -62.275 Base-Backbone interact. energy: -0.089 local terms energy: -73.782979 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -15.559 flat angles C4'-P-C4' energy: -15.371 flat angles P-C4'-P energy: -12.167 tors. eta vs tors. theta energy: -16.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -161.125502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.125502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.125502 (E_RNA) where: Base-Base interactions energy: -100.548 where: short stacking energy: -56.749 Base-Backbone interact. energy: -0.013 local terms energy: -60.564595 where: bonds (distance) C4'-P energy: -11.448 bonds (distance) P-C4' energy: -14.054 flat angles C4'-P-C4' energy: -14.605 flat angles P-C4'-P energy: -6.031 tors. eta vs tors. theta energy: -14.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -115.302615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.302615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.302615 (E_RNA) where: Base-Base interactions energy: -55.692 where: short stacking energy: -51.780 Base-Backbone interact. energy: -0.006 local terms energy: -59.604716 where: bonds (distance) C4'-P energy: -12.873 bonds (distance) P-C4' energy: -10.198 flat angles C4'-P-C4' energy: -13.988 flat angles P-C4'-P energy: -9.182 tors. eta vs tors. theta energy: -13.364 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: 9 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -138.108009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.108009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.108009 (E_RNA) where: Base-Base interactions energy: -85.285 where: short stacking energy: -56.433 Base-Backbone interact. energy: -0.009 local terms energy: -52.814114 where: bonds (distance) C4'-P energy: -14.565 bonds (distance) P-C4' energy: -7.452 flat angles C4'-P-C4' energy: -13.128 flat angles P-C4'-P energy: -6.333 tors. eta vs tors. theta energy: -11.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -123.643015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.643015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.643015 (E_RNA) where: Base-Base interactions energy: -73.211 where: short stacking energy: -43.788 Base-Backbone interact. energy: -0.036 local terms energy: -50.396601 where: bonds (distance) C4'-P energy: -12.761 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -11.226 flat angles P-C4'-P energy: -7.728 tors. eta vs tors. theta energy: -5.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -125.437087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.437087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.437087 (E_RNA) where: Base-Base interactions energy: -73.778 where: short stacking energy: -44.081 Base-Backbone interact. energy: -0.285 local terms energy: -51.374568 where: bonds (distance) C4'-P energy: -13.164 bonds (distance) P-C4' energy: -12.532 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -9.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -92.449725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.449725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.449725 (E_RNA) where: Base-Base interactions energy: -44.448 where: short stacking energy: -40.128 Base-Backbone interact. energy: -0.073 local terms energy: -47.928072 where: bonds (distance) C4'-P energy: -11.238 bonds (distance) P-C4' energy: -12.272 flat angles C4'-P-C4' energy: -14.212 flat angles P-C4'-P energy: -1.935 tors. eta vs tors. theta energy: -8.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -81.535268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.535268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.535268 (E_RNA) where: Base-Base interactions energy: -27.413 where: short stacking energy: -23.284 Base-Backbone interact. energy: -0.032 local terms energy: -54.090087 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -14.927 flat angles C4'-P-C4' energy: -11.916 flat angles P-C4'-P energy: -9.096 tors. eta vs tors. theta energy: -5.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -75.037247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.037247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.037247 (E_RNA) where: Base-Base interactions energy: -26.355 where: short stacking energy: -19.973 Base-Backbone interact. energy: -0.203 local terms energy: -48.479193 where: bonds (distance) C4'-P energy: -13.758 bonds (distance) P-C4' energy: -15.341 flat angles C4'-P-C4' energy: -11.143 flat angles P-C4'-P energy: -8.177 tors. eta vs tors. theta energy: -0.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -72.206143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.206143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.206143 (E_RNA) where: Base-Base interactions energy: -27.229 where: short stacking energy: -24.241 Base-Backbone interact. energy: -0.008 local terms energy: -44.969190 where: bonds (distance) C4'-P energy: -11.424 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -9.679 flat angles P-C4'-P energy: -8.761 tors. eta vs tors. theta energy: -2.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -161.126186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.126186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.126186 (E_RNA) where: Base-Base interactions energy: -97.690 where: short stacking energy: -66.853 Base-Backbone interact. energy: 0.107 local terms energy: -63.542920 where: bonds (distance) C4'-P energy: -8.990 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -12.321 flat angles P-C4'-P energy: -10.799 tors. eta vs tors. theta energy: -16.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -156.896362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.896362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.896362 (E_RNA) where: Base-Base interactions energy: -98.327 where: short stacking energy: -55.980 Base-Backbone interact. energy: -0.033 local terms energy: -58.537181 where: bonds (distance) C4'-P energy: -12.620 bonds (distance) P-C4' energy: -12.651 flat angles C4'-P-C4' energy: -12.511 flat angles P-C4'-P energy: -10.020 tors. eta vs tors. theta energy: -10.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -118.479142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.479142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.479142 (E_RNA) where: Base-Base interactions energy: -55.447 where: short stacking energy: -55.447 Base-Backbone interact. energy: -0.002 local terms energy: -63.030256 where: bonds (distance) C4'-P energy: -10.143 bonds (distance) P-C4' energy: -14.502 flat angles C4'-P-C4' energy: -13.998 flat angles P-C4'-P energy: -11.952 tors. eta vs tors. theta energy: -12.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -135.429092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.429092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.429092 (E_RNA) where: Base-Base interactions energy: -80.786 where: short stacking energy: -52.796 Base-Backbone interact. energy: -0.729 local terms energy: -53.913732 where: bonds (distance) C4'-P energy: -15.468 bonds (distance) P-C4' energy: -8.022 flat angles C4'-P-C4' energy: -10.171 flat angles P-C4'-P energy: -7.234 tors. eta vs tors. theta energy: -13.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -134.637906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.637906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.637906 (E_RNA) where: Base-Base interactions energy: -79.685 where: short stacking energy: -50.274 Base-Backbone interact. energy: -0.090 local terms energy: -54.862680 where: bonds (distance) C4'-P energy: -12.818 bonds (distance) P-C4' energy: -13.447 flat angles C4'-P-C4' energy: -13.397 flat angles P-C4'-P energy: -7.376 tors. eta vs tors. theta energy: -7.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -120.942348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.942348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.942348 (E_RNA) where: Base-Base interactions energy: -71.579 where: short stacking energy: -42.739 Base-Backbone interact. energy: 0.162 local terms energy: -49.524906 where: bonds (distance) C4'-P energy: -12.239 bonds (distance) P-C4' energy: -10.845 flat angles C4'-P-C4' energy: -7.739 flat angles P-C4'-P energy: -9.596 tors. eta vs tors. theta energy: -9.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -104.804179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.804179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.804179 (E_RNA) where: Base-Base interactions energy: -56.445 where: short stacking energy: -35.424 Base-Backbone interact. energy: -0.318 local terms energy: -48.040736 where: bonds (distance) C4'-P energy: -14.487 bonds (distance) P-C4' energy: -13.102 flat angles C4'-P-C4' energy: -13.680 flat angles P-C4'-P energy: -5.300 tors. eta vs tors. theta energy: -1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -82.614001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.614001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.614001 (E_RNA) where: Base-Base interactions energy: -37.032 where: short stacking energy: -35.653 Base-Backbone interact. energy: -0.080 local terms energy: -45.501785 where: bonds (distance) C4'-P energy: -6.531 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -12.591 flat angles P-C4'-P energy: -5.290 tors. eta vs tors. theta energy: -6.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -81.962079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.962079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.962079 (E_RNA) where: Base-Base interactions energy: -36.937 where: short stacking energy: -29.255 Base-Backbone interact. energy: -0.205 local terms energy: -44.820338 where: bonds (distance) C4'-P energy: -10.567 bonds (distance) P-C4' energy: -13.659 flat angles C4'-P-C4' energy: -7.702 flat angles P-C4'-P energy: -12.056 tors. eta vs tors. theta energy: -0.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -92.701167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.701167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.701167 (E_RNA) where: Base-Base interactions energy: -45.428 where: short stacking energy: -38.140 Base-Backbone interact. energy: -1.504 local terms energy: -45.769015 where: bonds (distance) C4'-P energy: -11.317 bonds (distance) P-C4' energy: -14.917 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -11.685 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: 1, replica: 2 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -155.629790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.629790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.629790 (E_RNA) where: Base-Base interactions energy: -94.907 where: short stacking energy: -58.708 Base-Backbone interact. energy: -0.001 local terms energy: -60.721415 where: bonds (distance) C4'-P energy: -10.757 bonds (distance) P-C4' energy: -12.834 flat angles C4'-P-C4' energy: -14.549 flat angles P-C4'-P energy: -10.195 tors. eta vs tors. theta energy: -12.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -161.740582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.740582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.740582 (E_RNA) where: Base-Base interactions energy: -104.134 where: short stacking energy: -59.821 Base-Backbone interact. energy: 0.075 local terms energy: -57.682201 where: bonds (distance) C4'-P energy: -11.813 bonds (distance) P-C4' energy: -12.775 flat angles C4'-P-C4' energy: -9.654 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: -14.620 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: 482 Temperature: 1.000000 Total energy: -137.520466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.520466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.520466 (E_RNA) where: Base-Base interactions energy: -82.649 where: short stacking energy: -50.519 Base-Backbone interact. energy: -0.261 local terms energy: -54.609958 where: bonds (distance) C4'-P energy: -13.684 bonds (distance) P-C4' energy: -9.701 flat angles C4'-P-C4' energy: -12.345 flat angles P-C4'-P energy: -10.889 tors. eta vs tors. theta energy: -7.990 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: 482 Temperature: 1.050000 Total energy: -109.463077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.463077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.463077 (E_RNA) where: Base-Base interactions energy: -52.875 where: short stacking energy: -46.883 Base-Backbone interact. energy: -0.312 local terms energy: -56.276453 where: bonds (distance) C4'-P energy: -13.135 bonds (distance) P-C4' energy: -12.246 flat angles C4'-P-C4' energy: -12.053 flat angles P-C4'-P energy: -9.988 tors. eta vs tors. theta energy: -8.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -134.728383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.728383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.728383 (E_RNA) where: Base-Base interactions energy: -81.266 where: short stacking energy: -50.675 Base-Backbone interact. energy: -0.027 local terms energy: -53.434933 where: bonds (distance) C4'-P energy: -12.517 bonds (distance) P-C4' energy: -11.470 flat angles C4'-P-C4' energy: -13.448 flat angles P-C4'-P energy: -7.823 tors. eta vs tors. theta energy: -8.177 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: 9 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -116.630502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.630502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.630502 (E_RNA) where: Base-Base interactions energy: -63.431 where: short stacking energy: -43.683 Base-Backbone interact. energy: -0.018 local terms energy: -53.182022 where: bonds (distance) C4'-P energy: -12.735 bonds (distance) P-C4' energy: -12.780 flat angles C4'-P-C4' energy: -14.523 flat angles P-C4'-P energy: -7.331 tors. eta vs tors. theta energy: -5.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -89.517821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.517821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.517821 (E_RNA) where: Base-Base interactions energy: -39.785 where: short stacking energy: -37.050 Base-Backbone interact. energy: -0.068 local terms energy: -49.664751 where: bonds (distance) C4'-P energy: -8.026 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -14.467 flat angles P-C4'-P energy: -6.519 tors. eta vs tors. theta energy: -4.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -72.322335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.322335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.322335 (E_RNA) where: Base-Base interactions energy: -32.820 where: short stacking energy: -32.820 Base-Backbone interact. energy: -0.252 local terms energy: -39.249500 where: bonds (distance) C4'-P energy: -11.402 bonds (distance) P-C4' energy: -5.658 flat angles C4'-P-C4' energy: -12.389 flat angles P-C4'-P energy: -6.949 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -84.171142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.171142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.171142 (E_RNA) where: Base-Base interactions energy: -42.953 where: short stacking energy: -42.501 Base-Backbone interact. energy: 0.358 local terms energy: -41.575408 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -11.032 flat angles C4'-P-C4' energy: -9.706 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -4.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -82.208644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.208644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.208644 (E_RNA) where: Base-Base interactions energy: -46.371 where: short stacking energy: -36.527 Base-Backbone interact. energy: -0.206 local terms energy: -35.632427 where: bonds (distance) C4'-P energy: -9.951 bonds (distance) P-C4' energy: -10.778 flat angles C4'-P-C4' energy: -10.363 flat angles P-C4'-P energy: -0.619 tors. eta vs tors. theta energy: -3.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -170.173570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.173570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.173570 (E_RNA) where: Base-Base interactions energy: -103.424 where: short stacking energy: -64.906 Base-Backbone interact. energy: -0.021 local terms energy: -66.728403 where: bonds (distance) C4'-P energy: -12.283 bonds (distance) P-C4' energy: -15.455 flat angles C4'-P-C4' energy: -13.955 flat angles P-C4'-P energy: -7.668 tors. eta vs tors. theta energy: -17.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -155.945547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.945547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.945547 (E_RNA) where: Base-Base interactions energy: -93.930 where: short stacking energy: -60.697 Base-Backbone interact. energy: -0.003 local terms energy: -62.012095 where: bonds (distance) C4'-P energy: -12.451 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -13.448 flat angles P-C4'-P energy: -7.380 tors. eta vs tors. theta energy: -14.392 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: 4 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -152.154708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.154708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.154708 (E_RNA) where: Base-Base interactions energy: -93.104 where: short stacking energy: -52.242 Base-Backbone interact. energy: -0.003 local terms energy: -59.047248 where: bonds (distance) C4'-P energy: -11.718 bonds (distance) P-C4' energy: -12.473 flat angles C4'-P-C4' energy: -13.969 flat angles P-C4'-P energy: -7.071 tors. eta vs tors. theta energy: -13.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -137.988150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.988150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.988150 (E_RNA) where: Base-Base interactions energy: -82.744 where: short stacking energy: -44.164 Base-Backbone interact. energy: -0.071 local terms energy: -55.173538 where: bonds (distance) C4'-P energy: -10.736 bonds (distance) P-C4' energy: -14.868 flat angles C4'-P-C4' energy: -12.408 flat angles P-C4'-P energy: -1.894 tors. eta vs tors. theta energy: -15.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -99.484053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.484053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.484053 (E_RNA) where: Base-Base interactions energy: -50.153 where: short stacking energy: -32.770 Base-Backbone interact. energy: -0.057 local terms energy: -49.274211 where: bonds (distance) C4'-P energy: -11.258 bonds (distance) P-C4' energy: -12.761 flat angles C4'-P-C4' energy: -9.980 flat angles P-C4'-P energy: -6.358 tors. eta vs tors. theta energy: -8.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -107.222962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.222962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.222962 (E_RNA) where: Base-Base interactions energy: -51.259 where: short stacking energy: -47.441 Base-Backbone interact. energy: -0.050 local terms energy: -55.914244 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -12.113 flat angles C4'-P-C4' energy: -12.326 flat angles P-C4'-P energy: -6.416 tors. eta vs tors. theta energy: -11.871 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: 9 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -127.987953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.987953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.987953 (E_RNA) where: Base-Base interactions energy: -77.609 where: short stacking energy: -49.592 Base-Backbone interact. energy: 0.866 local terms energy: -51.244959 where: bonds (distance) C4'-P energy: -11.059 bonds (distance) P-C4' energy: -13.694 flat angles C4'-P-C4' energy: -9.515 flat angles P-C4'-P energy: -7.234 tors. eta vs tors. theta energy: -9.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -85.035856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.035856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.035856 (E_RNA) where: Base-Base interactions energy: -37.682 where: short stacking energy: -37.682 Base-Backbone interact. energy: -0.031 local terms energy: -47.322511 where: bonds (distance) C4'-P energy: -14.107 bonds (distance) P-C4' energy: -12.518 flat angles C4'-P-C4' energy: -13.391 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -3.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -70.503068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.503068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.503068 (E_RNA) where: Base-Base interactions energy: -29.109 where: short stacking energy: -25.611 Base-Backbone interact. energy: -0.571 local terms energy: -40.822881 where: bonds (distance) C4'-P energy: -11.824 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -10.698 flat angles P-C4'-P energy: -4.463 tors. eta vs tors. theta energy: 0.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -77.587061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.587061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.587061 (E_RNA) where: Base-Base interactions energy: -31.489 where: short stacking energy: -22.343 Base-Backbone interact. energy: -0.178 local terms energy: -45.920219 where: bonds (distance) C4'-P energy: -12.443 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -12.444 flat angles P-C4'-P energy: -6.431 tors. eta vs tors. theta energy: -1.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -159.512493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.512493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.512493 (E_RNA) where: Base-Base interactions energy: -96.445 where: short stacking energy: -57.525 Base-Backbone interact. energy: -0.053 local terms energy: -63.014683 where: bonds (distance) C4'-P energy: -11.403 bonds (distance) P-C4' energy: -12.915 flat angles C4'-P-C4' energy: -14.618 flat angles P-C4'-P energy: -9.349 tors. eta vs tors. theta energy: -14.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -145.082941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.082941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.082941 (E_RNA) where: Base-Base interactions energy: -82.441 where: short stacking energy: -53.114 Base-Backbone interact. energy: -0.344 local terms energy: -62.298018 where: bonds (distance) C4'-P energy: -11.916 bonds (distance) P-C4' energy: -15.920 flat angles C4'-P-C4' energy: -13.626 flat angles P-C4'-P energy: -10.998 tors. eta vs tors. theta energy: -9.838 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: 7 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -157.830021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.830021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.830021 (E_RNA) where: Base-Base interactions energy: -99.852 where: short stacking energy: -59.989 Base-Backbone interact. energy: -0.119 local terms energy: -57.858826 where: bonds (distance) C4'-P energy: -8.149 bonds (distance) P-C4' energy: -11.914 flat angles C4'-P-C4' energy: -14.733 flat angles P-C4'-P energy: -6.969 tors. eta vs tors. theta energy: -16.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -154.737463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.737463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.737463 (E_RNA) where: Base-Base interactions energy: -103.925 where: short stacking energy: -64.094 Base-Backbone interact. energy: -0.005 local terms energy: -50.807842 where: bonds (distance) C4'-P energy: -5.862 bonds (distance) P-C4' energy: -8.782 flat angles C4'-P-C4' energy: -10.920 flat angles P-C4'-P energy: -9.505 tors. eta vs tors. theta energy: -15.739 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: 8 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -112.517277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.517277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.517277 (E_RNA) where: Base-Base interactions energy: -59.999 where: short stacking energy: -52.244 Base-Backbone interact. energy: 2.238 local terms energy: -54.755495 where: bonds (distance) C4'-P energy: -13.510 bonds (distance) P-C4' energy: -13.732 flat angles C4'-P-C4' energy: -10.741 flat angles P-C4'-P energy: -7.097 tors. eta vs tors. theta energy: -9.675 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: 1 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -94.458923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.458923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.458923 (E_RNA) where: Base-Base interactions energy: -40.800 where: short stacking energy: -36.985 Base-Backbone interact. energy: -0.000 local terms energy: -53.658924 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -12.386 flat angles C4'-P-C4' energy: -13.413 flat angles P-C4'-P energy: -7.171 tors. eta vs tors. theta energy: -7.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -108.593794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.593794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.593794 (E_RNA) where: Base-Base interactions energy: -58.020 where: short stacking energy: -25.881 Base-Backbone interact. energy: -0.461 local terms energy: -50.112131 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -11.221 flat angles P-C4'-P energy: -8.272 tors. eta vs tors. theta energy: -6.057 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: 10 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -85.319066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.319066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.319066 (E_RNA) where: Base-Base interactions energy: -32.926 where: short stacking energy: -31.275 Base-Backbone interact. energy: -0.058 local terms energy: -52.335202 where: bonds (distance) C4'-P energy: -13.259 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -14.225 flat angles P-C4'-P energy: -7.348 tors. eta vs tors. theta energy: -4.243 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: 484 Temperature: 1.300000 Total energy: -82.322125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.322125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.322125 (E_RNA) where: Base-Base interactions energy: -30.133 where: short stacking energy: -29.028 Base-Backbone interact. energy: -0.151 local terms energy: -52.038150 where: bonds (distance) C4'-P energy: -14.050 bonds (distance) P-C4' energy: -11.889 flat angles C4'-P-C4' energy: -12.078 flat angles P-C4'-P energy: -6.765 tors. eta vs tors. theta energy: -7.257 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: 6 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -72.976454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.976454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.976454 (E_RNA) where: Base-Base interactions energy: -25.709 where: short stacking energy: -20.289 Base-Backbone interact. energy: -0.298 local terms energy: -46.969138 where: bonds (distance) C4'-P energy: -11.217 bonds (distance) P-C4' energy: -14.171 flat angles C4'-P-C4' energy: -10.615 flat angles P-C4'-P energy: -8.308 tors. eta vs tors. theta energy: -2.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -167.367302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.367302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.367302 (E_RNA) where: Base-Base interactions energy: -100.056 where: short stacking energy: -66.399 Base-Backbone interact. energy: -0.488 local terms energy: -66.823860 where: bonds (distance) C4'-P energy: -11.801 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -16.035 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -16.100 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: 7 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -150.994850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.994850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.994850 (E_RNA) where: Base-Base interactions energy: -98.914 where: short stacking energy: -57.831 Base-Backbone interact. energy: -0.077 local terms energy: -52.003018 where: bonds (distance) C4'-P energy: -11.085 bonds (distance) P-C4' energy: -11.219 flat angles C4'-P-C4' energy: -14.995 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: -9.532 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: 485 Temperature: 1.000000 Total energy: -152.711444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.711444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.711444 (E_RNA) where: Base-Base interactions energy: -85.223 where: short stacking energy: -56.916 Base-Backbone interact. energy: -0.422 local terms energy: -67.066702 where: bonds (distance) C4'-P energy: -11.913 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -14.678 flat angles P-C4'-P energy: -10.948 tors. eta vs tors. theta energy: -14.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -136.191521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.191521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.191521 (E_RNA) where: Base-Base interactions energy: -74.436 where: short stacking energy: -62.931 Base-Backbone interact. energy: -0.864 local terms energy: -60.890858 where: bonds (distance) C4'-P energy: -11.975 bonds (distance) P-C4' energy: -14.185 flat angles C4'-P-C4' energy: -10.380 flat angles P-C4'-P energy: -8.565 tors. eta vs tors. theta energy: -15.786 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: 5, replica: 4 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -137.273751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.273751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.273751 (E_RNA) where: Base-Base interactions energy: -82.063 where: short stacking energy: -52.651 Base-Backbone interact. energy: -0.056 local terms energy: -55.154530 where: bonds (distance) C4'-P energy: -12.616 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -14.238 flat angles P-C4'-P energy: -6.642 tors. eta vs tors. theta energy: -8.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -130.073416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.073416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.073416 (E_RNA) where: Base-Base interactions energy: -70.779 where: short stacking energy: -39.589 Base-Backbone interact. energy: -0.482 local terms energy: -58.811783 where: bonds (distance) C4'-P energy: -14.281 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -14.311 flat angles P-C4'-P energy: -9.975 tors. eta vs tors. theta energy: -6.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -92.692581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.692581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.692581 (E_RNA) where: Base-Base interactions energy: -39.740 where: short stacking energy: -39.740 Base-Backbone interact. energy: -0.120 local terms energy: -52.832308 where: bonds (distance) C4'-P energy: -11.375 bonds (distance) P-C4' energy: -11.408 flat angles C4'-P-C4' energy: -13.870 flat angles P-C4'-P energy: -9.992 tors. eta vs tors. theta energy: -6.188 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: 3 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -82.505180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.505180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.505180 (E_RNA) where: Base-Base interactions energy: -41.961 where: short stacking energy: -33.999 Base-Backbone interact. energy: -0.111 local terms energy: -40.432619 where: bonds (distance) C4'-P energy: -8.745 bonds (distance) P-C4' energy: -12.544 flat angles C4'-P-C4' energy: -7.983 flat angles P-C4'-P energy: -7.420 tors. eta vs tors. theta energy: -3.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -86.463602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.463602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.463602 (E_RNA) where: Base-Base interactions energy: -44.057 where: short stacking energy: -34.752 Base-Backbone interact. energy: 0.098 local terms energy: -42.504087 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -12.282 flat angles C4'-P-C4' energy: -9.596 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -4.244 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: 6 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -72.812223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.812223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.812223 (E_RNA) where: Base-Base interactions energy: -30.695 where: short stacking energy: -26.294 Base-Backbone interact. energy: -0.173 local terms energy: -41.944128 where: bonds (distance) C4'-P energy: -8.731 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -13.333 flat angles P-C4'-P energy: -6.418 tors. eta vs tors. theta energy: 0.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -155.764464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.764464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.764464 (E_RNA) where: Base-Base interactions energy: -95.486 where: short stacking energy: -55.018 Base-Backbone interact. energy: -0.035 local terms energy: -60.243362 where: bonds (distance) C4'-P energy: -13.362 bonds (distance) P-C4' energy: -13.480 flat angles C4'-P-C4' energy: -13.400 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -15.218 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: 2 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -165.083716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.083716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.083716 (E_RNA) where: Base-Base interactions energy: -99.187 where: short stacking energy: -57.909 Base-Backbone interact. energy: -0.647 local terms energy: -65.249961 where: bonds (distance) C4'-P energy: -12.637 bonds (distance) P-C4' energy: -13.353 flat angles C4'-P-C4' energy: -12.140 flat angles P-C4'-P energy: -10.330 tors. eta vs tors. theta energy: -16.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -140.667735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.667735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.667735 (E_RNA) where: Base-Base interactions energy: -83.800 where: short stacking energy: -54.574 Base-Backbone interact. energy: -0.342 local terms energy: -56.525875 where: bonds (distance) C4'-P energy: -12.541 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -13.121 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -11.830 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: 8 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -123.901058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.901058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.901058 (E_RNA) where: Base-Base interactions energy: -69.805 where: short stacking energy: -46.364 Base-Backbone interact. energy: -0.154 local terms energy: -53.942192 where: bonds (distance) C4'-P energy: -9.346 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -11.714 flat angles P-C4'-P energy: -10.049 tors. eta vs tors. theta energy: -8.702 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: 4 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -143.725992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.725992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.725992 (E_RNA) where: Base-Base interactions energy: -90.917 where: short stacking energy: -58.288 Base-Backbone interact. energy: -0.121 local terms energy: -52.687703 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -12.383 flat angles C4'-P-C4' energy: -11.973 flat angles P-C4'-P energy: -6.166 tors. eta vs tors. theta energy: -13.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -136.481028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.481028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.481028 (E_RNA) where: Base-Base interactions energy: -80.510 where: short stacking energy: -43.965 Base-Backbone interact. energy: -0.496 local terms energy: -55.474775 where: bonds (distance) C4'-P energy: -11.627 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -9.643 flat angles P-C4'-P energy: -9.586 tors. eta vs tors. theta energy: -9.569 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: 3 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -99.076909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.076909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.076909 (E_RNA) where: Base-Base interactions energy: -43.767 where: short stacking energy: -32.029 Base-Backbone interact. energy: -0.083 local terms energy: -55.226658 where: bonds (distance) C4'-P energy: -14.014 bonds (distance) P-C4' energy: -13.452 flat angles C4'-P-C4' energy: -11.864 flat angles P-C4'-P energy: -9.935 tors. eta vs tors. theta energy: -5.962 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: 8, replica: 1 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -93.637229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.637229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.637229 (E_RNA) where: Base-Base interactions energy: -41.650 where: short stacking energy: -41.650 Base-Backbone interact. energy: -0.601 local terms energy: -51.386115 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -12.740 flat angles C4'-P-C4' energy: -9.528 flat angles P-C4'-P energy: -9.513 tors. eta vs tors. theta energy: -6.994 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: 6 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -72.594246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.594246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.594246 (E_RNA) where: Base-Base interactions energy: -35.140 where: short stacking energy: -26.965 Base-Backbone interact. energy: 1.360 local terms energy: -38.814890 where: bonds (distance) C4'-P energy: -9.064 bonds (distance) P-C4' energy: -11.493 flat angles C4'-P-C4' energy: -7.291 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: -2.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -84.042870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.042870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.042870 (E_RNA) where: Base-Base interactions energy: -33.282 where: short stacking energy: -32.895 Base-Backbone interact. energy: -0.100 local terms energy: -50.660853 where: bonds (distance) C4'-P energy: -13.750 bonds (distance) P-C4' energy: -11.946 flat angles C4'-P-C4' energy: -10.822 flat angles P-C4'-P energy: -8.685 tors. eta vs tors. theta energy: -5.457 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: 7 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -154.842129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.842129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.842129 (E_RNA) where: Base-Base interactions energy: -89.420 where: short stacking energy: -54.665 Base-Backbone interact. energy: -0.003 local terms energy: -65.419525 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -14.054 flat angles C4'-P-C4' energy: -13.844 flat angles P-C4'-P energy: -8.946 tors. eta vs tors. theta energy: -14.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -151.045004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.045004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.045004 (E_RNA) where: Base-Base interactions energy: -90.518 where: short stacking energy: -49.294 Base-Backbone interact. energy: -0.189 local terms energy: -60.337869 where: bonds (distance) C4'-P energy: -15.009 bonds (distance) P-C4' energy: -11.931 flat angles C4'-P-C4' energy: -9.947 flat angles P-C4'-P energy: -8.986 tors. eta vs tors. theta energy: -14.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -144.714528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.714528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.714528 (E_RNA) where: Base-Base interactions energy: -82.756 where: short stacking energy: -49.466 Base-Backbone interact. energy: -0.546 local terms energy: -61.413041 where: bonds (distance) C4'-P energy: -12.186 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -13.390 flat angles P-C4'-P energy: -11.406 tors. eta vs tors. theta energy: -9.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -140.147148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.147148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.147148 (E_RNA) where: Base-Base interactions energy: -87.273 where: short stacking energy: -49.824 Base-Backbone interact. energy: -1.031 local terms energy: -51.842657 where: bonds (distance) C4'-P energy: -11.014 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -8.515 flat angles P-C4'-P energy: -5.458 tors. eta vs tors. theta energy: -13.313 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: 8 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -113.710110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.710110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.710110 (E_RNA) where: Base-Base interactions energy: -50.475 where: short stacking energy: -43.602 Base-Backbone interact. energy: -0.131 local terms energy: -63.103956 where: bonds (distance) C4'-P energy: -12.963 bonds (distance) P-C4' energy: -16.023 flat angles C4'-P-C4' energy: -11.862 flat angles P-C4'-P energy: -10.207 tors. eta vs tors. theta energy: -12.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -124.709634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.709634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.709634 (E_RNA) where: Base-Base interactions energy: -74.865 where: short stacking energy: -47.436 Base-Backbone interact. energy: -0.472 local terms energy: -49.372453 where: bonds (distance) C4'-P energy: -8.319 bonds (distance) P-C4' energy: -12.995 flat angles C4'-P-C4' energy: -11.507 flat angles P-C4'-P energy: -3.427 tors. eta vs tors. theta energy: -13.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -89.224300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.224300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.224300 (E_RNA) where: Base-Base interactions energy: -47.104 where: short stacking energy: -47.104 Base-Backbone interact. energy: -0.000 local terms energy: -42.119832 where: bonds (distance) C4'-P energy: -9.710 bonds (distance) P-C4' energy: -9.958 flat angles C4'-P-C4' energy: -12.663 flat angles P-C4'-P energy: -1.442 tors. eta vs tors. theta energy: -8.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -89.295384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.295384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.295384 (E_RNA) where: Base-Base interactions energy: -35.477 where: short stacking energy: -33.944 Base-Backbone interact. energy: -0.199 local terms energy: -53.619494 where: bonds (distance) C4'-P energy: -10.420 bonds (distance) P-C4' energy: -15.955 flat angles C4'-P-C4' energy: -11.922 flat angles P-C4'-P energy: -10.250 tors. eta vs tors. theta energy: -5.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -88.126860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.126860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.126860 (E_RNA) where: Base-Base interactions energy: -36.483 where: short stacking energy: -36.273 Base-Backbone interact. energy: -0.171 local terms energy: -51.472054 where: bonds (distance) C4'-P energy: -7.407 bonds (distance) P-C4' energy: -11.603 flat angles C4'-P-C4' energy: -13.607 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -10.471 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: 10, replica: 10 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -79.645258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.645258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.645258 (E_RNA) where: Base-Base interactions energy: -38.660 where: short stacking energy: -31.517 Base-Backbone interact. energy: -0.009 local terms energy: -40.976418 where: bonds (distance) C4'-P energy: -12.256 bonds (distance) P-C4' energy: -13.517 flat angles C4'-P-C4' energy: -8.760 flat angles P-C4'-P energy: 0.015 tors. eta vs tors. theta energy: -6.459 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: 7 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -166.863260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.863260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.863260 (E_RNA) where: Base-Base interactions energy: -100.535 where: short stacking energy: -66.733 Base-Backbone interact. energy: -0.473 local terms energy: -65.855431 where: bonds (distance) C4'-P energy: -11.236 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -12.998 flat angles P-C4'-P energy: -9.691 tors. eta vs tors. theta energy: -17.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -161.725777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.725777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.725777 (E_RNA) where: Base-Base interactions energy: -102.739 where: short stacking energy: -66.581 Base-Backbone interact. energy: -0.283 local terms energy: -58.703498 where: bonds (distance) C4'-P energy: -12.158 bonds (distance) P-C4' energy: -10.658 flat angles C4'-P-C4' energy: -12.590 flat angles P-C4'-P energy: -7.316 tors. eta vs tors. theta energy: -15.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -151.936809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.936809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.936809 (E_RNA) where: Base-Base interactions energy: -96.878 where: short stacking energy: -60.501 Base-Backbone interact. energy: -0.013 local terms energy: -55.045598 where: bonds (distance) C4'-P energy: -12.174 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -10.999 flat angles P-C4'-P energy: -5.564 tors. eta vs tors. theta energy: -13.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -134.917054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.917054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.917054 (E_RNA) where: Base-Base interactions energy: -73.859 where: short stacking energy: -45.866 Base-Backbone interact. energy: -0.048 local terms energy: -61.010082 where: bonds (distance) C4'-P energy: -13.208 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -11.674 flat angles P-C4'-P energy: -12.138 tors. eta vs tors. theta energy: -8.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -133.322801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.322801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.322801 (E_RNA) where: Base-Base interactions energy: -73.695 where: short stacking energy: -43.930 Base-Backbone interact. energy: 0.254 local terms energy: -59.882635 where: bonds (distance) C4'-P energy: -13.508 bonds (distance) P-C4' energy: -10.357 flat angles C4'-P-C4' energy: -13.157 flat angles P-C4'-P energy: -11.582 tors. eta vs tors. theta energy: -11.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -129.721811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.721811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.721811 (E_RNA) where: Base-Base interactions energy: -77.354 where: short stacking energy: -38.365 Base-Backbone interact. energy: 0.120 local terms energy: -52.487268 where: bonds (distance) C4'-P energy: -11.349 bonds (distance) P-C4' energy: -13.900 flat angles C4'-P-C4' energy: -10.678 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: -8.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -96.375538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.375538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.375538 (E_RNA) where: Base-Base interactions energy: -50.266 where: short stacking energy: -36.033 Base-Backbone interact. energy: -1.353 local terms energy: -44.757219 where: bonds (distance) C4'-P energy: -8.269 bonds (distance) P-C4' energy: -11.256 flat angles C4'-P-C4' energy: -11.608 flat angles P-C4'-P energy: -9.535 tors. eta vs tors. theta energy: -4.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -87.090576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.090576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.090576 (E_RNA) where: Base-Base interactions energy: -41.244 where: short stacking energy: -41.244 Base-Backbone interact. energy: -0.174 local terms energy: -45.672890 where: bonds (distance) C4'-P energy: -7.893 bonds (distance) P-C4' energy: -11.197 flat angles C4'-P-C4' energy: -11.930 flat angles P-C4'-P energy: -8.036 tors. eta vs tors. theta energy: -6.616 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: 1 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -89.701518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.701518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.701518 (E_RNA) where: Base-Base interactions energy: -41.681 where: short stacking energy: -41.252 Base-Backbone interact. energy: 0.770 local terms energy: -48.790631 where: bonds (distance) C4'-P energy: -8.662 bonds (distance) P-C4' energy: -10.424 flat angles C4'-P-C4' energy: -10.173 flat angles P-C4'-P energy: -9.146 tors. eta vs tors. theta energy: -10.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -76.721950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.721950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.721950 (E_RNA) where: Base-Base interactions energy: -30.205 where: short stacking energy: -18.965 Base-Backbone interact. energy: 1.406 local terms energy: -47.923289 where: bonds (distance) C4'-P energy: -11.982 bonds (distance) P-C4' energy: -12.237 flat angles C4'-P-C4' energy: -11.004 flat angles P-C4'-P energy: -11.232 tors. eta vs tors. theta energy: -1.468 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: 1, replica: 7 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -168.741187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.741187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.741187 (E_RNA) where: Base-Base interactions energy: -100.769 where: short stacking energy: -67.616 Base-Backbone interact. energy: -0.001 local terms energy: -67.970958 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -13.846 flat angles C4'-P-C4' energy: -12.770 flat angles P-C4'-P energy: -9.871 tors. eta vs tors. theta energy: -18.189 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: 489 Temperature: 0.950000 Total energy: -163.063736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.063736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.063736 (E_RNA) where: Base-Base interactions energy: -97.022 where: short stacking energy: -63.948 Base-Backbone interact. energy: -0.002 local terms energy: -66.040518 where: bonds (distance) C4'-P energy: -11.598 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -13.458 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -17.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -151.831756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.831756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.831756 (E_RNA) where: Base-Base interactions energy: -94.468 where: short stacking energy: -56.882 Base-Backbone interact. energy: -0.023 local terms energy: -57.340826 where: bonds (distance) C4'-P energy: -12.952 bonds (distance) P-C4' energy: -14.388 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -8.477 tors. eta vs tors. theta energy: -13.941 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: 8 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -127.903310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.903310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.903310 (E_RNA) where: Base-Base interactions energy: -72.141 where: short stacking energy: -44.482 Base-Backbone interact. energy: -0.857 local terms energy: -54.905863 where: bonds (distance) C4'-P energy: -11.004 bonds (distance) P-C4' energy: -13.427 flat angles C4'-P-C4' energy: -13.328 flat angles P-C4'-P energy: -7.443 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: 5, replica: 5 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -138.519678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.519678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.519678 (E_RNA) where: Base-Base interactions energy: -81.821 where: short stacking energy: -56.932 Base-Backbone interact. energy: -0.156 local terms energy: -56.542980 where: bonds (distance) C4'-P energy: -9.442 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -11.195 flat angles P-C4'-P energy: -9.603 tors. eta vs tors. theta energy: -12.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -100.134164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.134164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.134164 (E_RNA) where: Base-Base interactions energy: -47.269 where: short stacking energy: -42.830 Base-Backbone interact. energy: -0.055 local terms energy: -52.809666 where: bonds (distance) C4'-P energy: -13.461 bonds (distance) P-C4' energy: -11.790 flat angles C4'-P-C4' energy: -13.524 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -8.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -123.349613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.349613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.349613 (E_RNA) where: Base-Base interactions energy: -69.523 where: short stacking energy: -33.276 Base-Backbone interact. energy: -0.175 local terms energy: -53.652177 where: bonds (distance) C4'-P energy: -12.194 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -11.241 flat angles P-C4'-P energy: -9.531 tors. eta vs tors. theta energy: -7.399 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: 1 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -97.164137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.164137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.164137 (E_RNA) where: Base-Base interactions energy: -47.504 where: short stacking energy: -47.041 Base-Backbone interact. energy: -0.129 local terms energy: -49.530721 where: bonds (distance) C4'-P energy: -12.521 bonds (distance) P-C4' energy: -13.541 flat angles C4'-P-C4' energy: -12.747 flat angles P-C4'-P energy: -1.695 tors. eta vs tors. theta energy: -9.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -82.129916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.129916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.129916 (E_RNA) where: Base-Base interactions energy: -29.203 where: short stacking energy: -29.203 Base-Backbone interact. energy: -0.008 local terms energy: -52.919688 where: bonds (distance) C4'-P energy: -12.126 bonds (distance) P-C4' energy: -13.801 flat angles C4'-P-C4' energy: -11.679 flat angles P-C4'-P energy: -9.652 tors. eta vs tors. theta energy: -5.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -71.369707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.369707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.369707 (E_RNA) where: Base-Base interactions energy: -28.463 where: short stacking energy: -28.463 Base-Backbone interact. energy: -0.006 local terms energy: -42.901306 where: bonds (distance) C4'-P energy: -8.465 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -9.291 flat angles P-C4'-P energy: -8.886 tors. eta vs tors. theta energy: -1.427 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: 7 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -172.730413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.730413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.730413 (E_RNA) where: Base-Base interactions energy: -103.905 where: short stacking energy: -68.377 Base-Backbone interact. energy: -0.372 local terms energy: -68.454113 where: bonds (distance) C4'-P energy: -14.918 bonds (distance) P-C4' energy: -14.274 flat angles C4'-P-C4' energy: -8.652 flat angles P-C4'-P energy: -10.704 tors. eta vs tors. theta energy: -19.906 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: 490 Temperature: 0.950000 Total energy: -151.495237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.495237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.495237 (E_RNA) where: Base-Base interactions energy: -88.058 where: short stacking energy: -54.533 Base-Backbone interact. energy: -0.160 local terms energy: -63.277341 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -9.435 flat angles P-C4'-P energy: -9.854 tors. eta vs tors. theta energy: -15.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -127.497636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.497636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.497636 (E_RNA) where: Base-Base interactions energy: -75.168 where: short stacking energy: -36.949 Base-Backbone interact. energy: -0.435 local terms energy: -51.894694 where: bonds (distance) C4'-P energy: -14.832 bonds (distance) P-C4' energy: -13.284 flat angles C4'-P-C4' energy: -11.859 flat angles P-C4'-P energy: -8.068 tors. eta vs tors. theta energy: -3.853 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: 490 Temperature: 1.050000 Total energy: -129.697125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.697125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.697125 (E_RNA) where: Base-Base interactions energy: -83.195 where: short stacking energy: -49.743 Base-Backbone interact. energy: -0.384 local terms energy: -46.118162 where: bonds (distance) C4'-P energy: -10.724 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -8.340 tors. eta vs tors. theta energy: -4.325 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: 5, replica: 5 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -144.309884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.309884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.309884 (E_RNA) where: Base-Base interactions energy: -81.512 where: short stacking energy: -53.143 Base-Backbone interact. energy: -0.002 local terms energy: -62.795820 where: bonds (distance) C4'-P energy: -12.897 bonds (distance) P-C4' energy: -14.740 flat angles C4'-P-C4' energy: -11.911 flat angles P-C4'-P energy: -10.410 tors. eta vs tors. theta energy: -12.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -100.399291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.399291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.399291 (E_RNA) where: Base-Base interactions energy: -49.254 where: short stacking energy: -49.099 Base-Backbone interact. energy: -0.099 local terms energy: -51.045461 where: bonds (distance) C4'-P energy: -12.504 bonds (distance) P-C4' energy: -9.796 flat angles C4'-P-C4' energy: -9.422 flat angles P-C4'-P energy: -11.414 tors. eta vs tors. theta energy: -7.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -132.882827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.882827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.882827 (E_RNA) where: Base-Base interactions energy: -82.485 where: short stacking energy: -42.308 Base-Backbone interact. energy: -0.071 local terms energy: -50.327337 where: bonds (distance) C4'-P energy: -10.767 bonds (distance) P-C4' energy: -15.178 flat angles C4'-P-C4' energy: -12.368 flat angles P-C4'-P energy: -6.589 tors. eta vs tors. theta energy: -5.425 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: 1 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -85.753032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.753032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.753032 (E_RNA) where: Base-Base interactions energy: -34.278 where: short stacking energy: -34.278 Base-Backbone interact. energy: 0.636 local terms energy: -52.110456 where: bonds (distance) C4'-P energy: -11.999 bonds (distance) P-C4' energy: -14.388 flat angles C4'-P-C4' energy: -12.084 flat angles P-C4'-P energy: -6.724 tors. eta vs tors. theta energy: -6.915 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: 10 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -74.069460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.069460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.069460 (E_RNA) where: Base-Base interactions energy: -33.002 where: short stacking energy: -33.002 Base-Backbone interact. energy: -0.029 local terms energy: -41.038201 where: bonds (distance) C4'-P energy: -10.547 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -8.844 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -2.720 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: 490 Temperature: 1.350000 Total energy: -70.417517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.417517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.417517 (E_RNA) where: Base-Base interactions energy: -26.826 where: short stacking energy: -26.826 Base-Backbone interact. energy: -0.153 local terms energy: -43.438445 where: bonds (distance) C4'-P energy: -6.631 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -9.716 flat angles P-C4'-P energy: -8.005 tors. eta vs tors. theta energy: -4.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -170.793698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.793698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.793698 (E_RNA) where: Base-Base interactions energy: -105.369 where: short stacking energy: -65.410 Base-Backbone interact. energy: -1.808 local terms energy: -63.616429 where: bonds (distance) C4'-P energy: -10.906 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -13.463 flat angles P-C4'-P energy: -11.393 tors. eta vs tors. theta energy: -14.270 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: 2 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -144.894382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.894382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.894382 (E_RNA) where: Base-Base interactions energy: -84.828 where: short stacking energy: -41.101 Base-Backbone interact. energy: -0.066 local terms energy: -60.000520 where: bonds (distance) C4'-P energy: -13.530 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -13.858 flat angles P-C4'-P energy: -8.803 tors. eta vs tors. theta energy: -10.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -143.603567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.603567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.603567 (E_RNA) where: Base-Base interactions energy: -81.210 where: short stacking energy: -53.974 Base-Backbone interact. energy: -0.297 local terms energy: -62.097482 where: bonds (distance) C4'-P energy: -12.346 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -14.595 flat angles P-C4'-P energy: -9.084 tors. eta vs tors. theta energy: -11.895 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: 491 Temperature: 1.050000 Total energy: -142.016832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.016832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.016832 (E_RNA) where: Base-Base interactions energy: -90.363 where: short stacking energy: -56.359 Base-Backbone interact. energy: -0.009 local terms energy: -51.644282 where: bonds (distance) C4'-P energy: -9.656 bonds (distance) P-C4' energy: -6.466 flat angles C4'-P-C4' energy: -13.629 flat angles P-C4'-P energy: -8.676 tors. eta vs tors. theta energy: -13.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -150.951559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.951559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.951559 (E_RNA) where: Base-Base interactions energy: -92.554 where: short stacking energy: -52.400 Base-Backbone interact. energy: 0.209 local terms energy: -58.606327 where: bonds (distance) C4'-P energy: -13.412 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -9.732 flat angles P-C4'-P energy: -6.609 tors. eta vs tors. theta energy: -14.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -100.202089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.202089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.202089 (E_RNA) where: Base-Base interactions energy: -46.021 where: short stacking energy: -35.055 Base-Backbone interact. energy: -0.388 local terms energy: -53.793459 where: bonds (distance) C4'-P energy: -11.180 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -13.008 flat angles P-C4'-P energy: -7.673 tors. eta vs tors. theta energy: -6.162 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: 7, replica: 9 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -83.110379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.110379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.110379 (E_RNA) where: Base-Base interactions energy: -35.728 where: short stacking energy: -31.597 Base-Backbone interact. energy: -0.107 local terms energy: -47.275619 where: bonds (distance) C4'-P energy: -9.407 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -9.556 flat angles P-C4'-P energy: -7.743 tors. eta vs tors. theta energy: -6.587 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: 10 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -93.574038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.574038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.574038 (E_RNA) where: Base-Base interactions energy: -39.908 where: short stacking energy: -37.061 Base-Backbone interact. energy: -0.032 local terms energy: -53.634263 where: bonds (distance) C4'-P energy: -9.752 bonds (distance) P-C4' energy: -15.252 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -7.940 tors. eta vs tors. theta energy: -7.141 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: 9, replica: 1 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -83.489795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.489795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.489795 (E_RNA) where: Base-Base interactions energy: -42.650 where: short stacking energy: -25.860 Base-Backbone interact. energy: 0.210 local terms energy: -41.050293 where: bonds (distance) C4'-P energy: -6.120 bonds (distance) P-C4' energy: -16.256 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -7.043 tors. eta vs tors. theta energy: -4.033 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: 3 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -74.646121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.646121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.646121 (E_RNA) where: Base-Base interactions energy: -34.739 where: short stacking energy: -27.306 Base-Backbone interact. energy: 1.830 local terms energy: -41.737303 where: bonds (distance) C4'-P energy: -12.959 bonds (distance) P-C4' energy: -11.110 flat angles C4'-P-C4' energy: -12.771 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -167.823213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.823213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.823213 (E_RNA) where: Base-Base interactions energy: -102.202 where: short stacking energy: -60.384 Base-Backbone interact. energy: -0.495 local terms energy: -65.125808 where: bonds (distance) C4'-P energy: -13.196 bonds (distance) P-C4' energy: -16.475 flat angles C4'-P-C4' energy: -11.975 flat angles P-C4'-P energy: -10.854 tors. eta vs tors. theta energy: -12.625 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: 7 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -164.595363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.595363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.595363 (E_RNA) where: Base-Base interactions energy: -95.653 where: short stacking energy: -62.517 Base-Backbone interact. energy: -0.006 local terms energy: -68.936004 where: bonds (distance) C4'-P energy: -13.497 bonds (distance) P-C4' energy: -12.719 flat angles C4'-P-C4' energy: -13.686 flat angles P-C4'-P energy: -13.022 tors. eta vs tors. theta energy: -16.012 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: 492 Temperature: 1.000000 Total energy: -145.131355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.131355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.131355 (E_RNA) where: Base-Base interactions energy: -86.242 where: short stacking energy: -48.978 Base-Backbone interact. energy: -0.051 local terms energy: -58.839067 where: bonds (distance) C4'-P energy: -11.343 bonds (distance) P-C4' energy: -16.027 flat angles C4'-P-C4' energy: -10.603 flat angles P-C4'-P energy: -8.350 tors. eta vs tors. theta energy: -12.517 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: 4, replica: 4 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -155.349769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.349769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.349769 (E_RNA) where: Base-Base interactions energy: -103.161 where: short stacking energy: -59.580 Base-Backbone interact. energy: -0.388 local terms energy: -51.800675 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -14.825 flat angles P-C4'-P energy: -6.390 tors. eta vs tors. theta energy: -14.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -150.157366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.157366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.157366 (E_RNA) where: Base-Base interactions energy: -96.767 where: short stacking energy: -60.626 Base-Backbone interact. energy: -0.016 local terms energy: -53.373873 where: bonds (distance) C4'-P energy: -5.952 bonds (distance) P-C4' energy: -13.095 flat angles C4'-P-C4' energy: -12.290 flat angles P-C4'-P energy: -9.068 tors. eta vs tors. theta energy: -12.969 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: 492 Temperature: 1.150000 Total energy: -108.704696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.704696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.704696 (E_RNA) where: Base-Base interactions energy: -61.597 where: short stacking energy: -50.967 Base-Backbone interact. energy: -0.028 local terms energy: -47.079705 where: bonds (distance) C4'-P energy: -8.538 bonds (distance) P-C4' energy: -13.201 flat angles C4'-P-C4' energy: -11.166 flat angles P-C4'-P energy: -8.291 tors. eta vs tors. theta energy: -5.883 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: 10 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -91.246010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.246010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.246010 (E_RNA) where: Base-Base interactions energy: -40.718 where: short stacking energy: -40.718 Base-Backbone interact. energy: -0.056 local terms energy: -50.471438 where: bonds (distance) C4'-P energy: -9.370 bonds (distance) P-C4' energy: -13.389 flat angles C4'-P-C4' energy: -12.815 flat angles P-C4'-P energy: -10.711 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -75.463989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.463989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.463989 (E_RNA) where: Base-Base interactions energy: -35.412 where: short stacking energy: -22.248 Base-Backbone interact. energy: -0.253 local terms energy: -39.799134 where: bonds (distance) C4'-P energy: -11.887 bonds (distance) P-C4' energy: -9.376 flat angles C4'-P-C4' energy: -11.729 flat angles P-C4'-P energy: -9.728 tors. eta vs tors. theta energy: 2.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -81.251950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.251950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.251950 (E_RNA) where: Base-Base interactions energy: -39.205 where: short stacking energy: -36.881 Base-Backbone interact. energy: -0.187 local terms energy: -41.860064 where: bonds (distance) C4'-P energy: -13.738 bonds (distance) P-C4' energy: -7.462 flat angles C4'-P-C4' energy: -12.345 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -5.025 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: 10, replica: 1 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -70.494759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.494759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.494759 (E_RNA) where: Base-Base interactions energy: -37.265 where: short stacking energy: -30.650 Base-Backbone interact. energy: 0.712 local terms energy: -33.941825 where: bonds (distance) C4'-P energy: -11.945 bonds (distance) P-C4' energy: -12.195 flat angles C4'-P-C4' energy: -5.004 flat angles P-C4'-P energy: -4.487 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: 1, replica: 2 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -165.058264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.058264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.058264 (E_RNA) where: Base-Base interactions energy: -101.965 where: short stacking energy: -57.497 Base-Backbone interact. energy: -0.750 local terms energy: -62.342496 where: bonds (distance) C4'-P energy: -11.457 bonds (distance) P-C4' energy: -13.607 flat angles C4'-P-C4' energy: -12.309 flat angles P-C4'-P energy: -8.648 tors. eta vs tors. theta energy: -16.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -157.481786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.481786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.481786 (E_RNA) where: Base-Base interactions energy: -93.391 where: short stacking energy: -62.535 Base-Backbone interact. energy: -0.019 local terms energy: -64.072059 where: bonds (distance) C4'-P energy: -8.463 bonds (distance) P-C4' energy: -14.906 flat angles C4'-P-C4' energy: -14.836 flat angles P-C4'-P energy: -10.269 tors. eta vs tors. theta energy: -15.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -146.175673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.175673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.175673 (E_RNA) where: Base-Base interactions energy: -85.459 where: short stacking energy: -53.616 Base-Backbone interact. energy: -1.138 local terms energy: -59.578498 where: bonds (distance) C4'-P energy: -14.168 bonds (distance) P-C4' energy: -14.695 flat angles C4'-P-C4' energy: -12.181 flat angles P-C4'-P energy: -4.129 tors. eta vs tors. theta energy: -14.406 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: 4 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -151.656673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.656673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.656673 (E_RNA) where: Base-Base interactions energy: -87.732 where: short stacking energy: -57.269 Base-Backbone interact. energy: -0.008 local terms energy: -63.917256 where: bonds (distance) C4'-P energy: -11.875 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -14.005 flat angles P-C4'-P energy: -9.801 tors. eta vs tors. theta energy: -13.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -124.890381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.890381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.890381 (E_RNA) where: Base-Base interactions energy: -72.855 where: short stacking energy: -46.101 Base-Backbone interact. energy: -0.330 local terms energy: -51.705280 where: bonds (distance) C4'-P energy: -14.851 bonds (distance) P-C4' energy: -10.815 flat angles C4'-P-C4' energy: -14.917 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -6.886 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: 493 Temperature: 1.150000 Total energy: -102.387490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.387490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.387490 (E_RNA) where: Base-Base interactions energy: -53.642 where: short stacking energy: -32.029 Base-Backbone interact. energy: -0.292 local terms energy: -48.454382 where: bonds (distance) C4'-P energy: -12.264 bonds (distance) P-C4' energy: -10.605 flat angles C4'-P-C4' energy: -14.279 flat angles P-C4'-P energy: -10.205 tors. eta vs tors. theta energy: -1.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -94.945950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.945950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.945950 (E_RNA) where: Base-Base interactions energy: -42.610 where: short stacking energy: -42.610 Base-Backbone interact. energy: -0.001 local terms energy: -52.334086 where: bonds (distance) C4'-P energy: -11.983 bonds (distance) P-C4' energy: -13.135 flat angles C4'-P-C4' energy: -13.232 flat angles P-C4'-P energy: -6.538 tors. eta vs tors. theta energy: -7.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -97.717111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.717111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.717111 (E_RNA) where: Base-Base interactions energy: -43.151 where: short stacking energy: -42.956 Base-Backbone interact. energy: -0.015 local terms energy: -54.550381 where: bonds (distance) C4'-P energy: -12.528 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -8.912 flat angles P-C4'-P energy: -10.534 tors. eta vs tors. theta energy: -9.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -78.261063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.261063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.261063 (E_RNA) where: Base-Base interactions energy: -32.263 where: short stacking energy: -31.569 Base-Backbone interact. energy: -0.113 local terms energy: -45.884599 where: bonds (distance) C4'-P energy: -13.875 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -9.167 flat angles P-C4'-P energy: -8.183 tors. eta vs tors. theta energy: -1.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -80.740034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.740034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.740034 (E_RNA) where: Base-Base interactions energy: -27.741 where: short stacking energy: -28.609 Base-Backbone interact. energy: -0.004 local terms energy: -52.995019 where: bonds (distance) C4'-P energy: -12.211 bonds (distance) P-C4' energy: -14.332 flat angles C4'-P-C4' energy: -10.604 flat angles P-C4'-P energy: -7.503 tors. eta vs tors. theta energy: -8.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -147.863387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.863387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.863387 (E_RNA) where: Base-Base interactions energy: -83.269 where: short stacking energy: -51.717 Base-Backbone interact. energy: -0.124 local terms energy: -64.470422 where: bonds (distance) C4'-P energy: -15.767 bonds (distance) P-C4' energy: -13.760 flat angles C4'-P-C4' energy: -15.119 flat angles P-C4'-P energy: -9.187 tors. eta vs tors. theta energy: -10.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -153.675411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.675411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.675411 (E_RNA) where: Base-Base interactions energy: -90.236 where: short stacking energy: -54.032 Base-Backbone interact. energy: -0.002 local terms energy: -63.437427 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -14.283 flat angles C4'-P-C4' energy: -13.177 flat angles P-C4'-P energy: -7.686 tors. eta vs tors. theta energy: -15.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -155.906772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.906772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.906772 (E_RNA) where: Base-Base interactions energy: -90.793 where: short stacking energy: -56.149 Base-Backbone interact. energy: -0.001 local terms energy: -65.112738 where: bonds (distance) C4'-P energy: -12.426 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -11.934 flat angles P-C4'-P energy: -10.141 tors. eta vs tors. theta energy: -15.632 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: 494 Temperature: 1.050000 Total energy: -138.140272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.140272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.140272 (E_RNA) where: Base-Base interactions energy: -80.400 where: short stacking energy: -53.733 Base-Backbone interact. energy: -0.003 local terms energy: -57.737160 where: bonds (distance) C4'-P energy: -12.305 bonds (distance) P-C4' energy: -9.027 flat angles C4'-P-C4' energy: -13.013 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -14.101 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: 5, replica: 8 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -116.264287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.264287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.264287 (E_RNA) where: Base-Base interactions energy: -74.776 where: short stacking energy: -45.091 Base-Backbone interact. energy: -0.463 local terms energy: -41.026094 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -8.240 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -8.702 tors. eta vs tors. theta energy: -11.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -92.626316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.626316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.626316 (E_RNA) where: Base-Base interactions energy: -48.093 where: short stacking energy: -34.514 Base-Backbone interact. energy: -0.189 local terms energy: -44.344095 where: bonds (distance) C4'-P energy: -9.805 bonds (distance) P-C4' energy: -10.905 flat angles C4'-P-C4' energy: -12.334 flat angles P-C4'-P energy: -6.683 tors. eta vs tors. theta energy: -4.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -98.399382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.399382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.399382 (E_RNA) where: Base-Base interactions energy: -51.332 where: short stacking energy: -34.452 Base-Backbone interact. energy: -0.058 local terms energy: -47.008620 where: bonds (distance) C4'-P energy: -12.103 bonds (distance) P-C4' energy: -13.694 flat angles C4'-P-C4' energy: -12.486 flat angles P-C4'-P energy: -7.030 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: 8, replica: 9 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -81.393068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.393068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.393068 (E_RNA) where: Base-Base interactions energy: -31.199 where: short stacking energy: -29.582 Base-Backbone interact. energy: 1.897 local terms energy: -52.090385 where: bonds (distance) C4'-P energy: -10.555 bonds (distance) P-C4' energy: -10.071 flat angles C4'-P-C4' energy: -14.675 flat angles P-C4'-P energy: -9.309 tors. eta vs tors. theta energy: -7.481 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: 1 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -85.459836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.459836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.459836 (E_RNA) where: Base-Base interactions energy: -44.793 where: short stacking energy: -25.912 Base-Backbone interact. energy: -0.076 local terms energy: -40.591043 where: bonds (distance) C4'-P energy: -10.037 bonds (distance) P-C4' energy: -12.229 flat angles C4'-P-C4' energy: -12.229 flat angles P-C4'-P energy: -7.078 tors. eta vs tors. theta energy: 0.981 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: 3 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -82.340758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.340758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.340758 (E_RNA) where: Base-Base interactions energy: -31.120 where: short stacking energy: -30.871 Base-Backbone interact. energy: -0.013 local terms energy: -51.207759 where: bonds (distance) C4'-P energy: -11.946 bonds (distance) P-C4' energy: -12.692 flat angles C4'-P-C4' energy: -11.419 flat angles P-C4'-P energy: -8.168 tors. eta vs tors. theta energy: -6.983 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: 1, replica: 2 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -150.216478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.216478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.216478 (E_RNA) where: Base-Base interactions energy: -84.736 where: short stacking energy: -55.598 Base-Backbone interact. energy: -0.137 local terms energy: -65.343745 where: bonds (distance) C4'-P energy: -15.055 bonds (distance) P-C4' energy: -14.296 flat angles C4'-P-C4' energy: -14.688 flat angles P-C4'-P energy: -8.422 tors. eta vs tors. theta energy: -12.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -151.848902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.848902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.848902 (E_RNA) where: Base-Base interactions energy: -88.711 where: short stacking energy: -54.501 Base-Backbone interact. energy: -0.028 local terms energy: -63.110025 where: bonds (distance) C4'-P energy: -12.387 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -13.280 flat angles P-C4'-P energy: -9.572 tors. eta vs tors. theta energy: -11.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -157.298117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.298117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.298117 (E_RNA) where: Base-Base interactions energy: -93.400 where: short stacking energy: -60.415 Base-Backbone interact. energy: -0.016 local terms energy: -63.881750 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -11.382 flat angles C4'-P-C4' energy: -13.563 flat angles P-C4'-P energy: -9.560 tors. eta vs tors. theta energy: -15.931 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: 495 Temperature: 1.050000 Total energy: -135.857228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.857228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.857228 (E_RNA) where: Base-Base interactions energy: -79.410 where: short stacking energy: -52.373 Base-Backbone interact. energy: -0.099 local terms energy: -56.348349 where: bonds (distance) C4'-P energy: -12.291 bonds (distance) P-C4' energy: -14.851 flat angles C4'-P-C4' energy: -12.434 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -9.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -87.455224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.455224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.455224 (E_RNA) where: Base-Base interactions energy: -47.236 where: short stacking energy: -26.287 Base-Backbone interact. energy: -0.155 local terms energy: -40.063825 where: bonds (distance) C4'-P energy: -11.607 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -12.199 flat angles P-C4'-P energy: -7.678 tors. eta vs tors. theta energy: 5.812 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: 6 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -105.505272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.505272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.505272 (E_RNA) where: Base-Base interactions energy: -53.113 where: short stacking energy: -39.335 Base-Backbone interact. energy: -0.100 local terms energy: -52.292417 where: bonds (distance) C4'-P energy: -13.311 bonds (distance) P-C4' energy: -14.434 flat angles C4'-P-C4' energy: -13.153 flat angles P-C4'-P energy: -5.501 tors. eta vs tors. theta energy: -5.894 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: 10 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -81.699862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.699862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.699862 (E_RNA) where: Base-Base interactions energy: -37.275 where: short stacking energy: -37.275 Base-Backbone interact. energy: 0.359 local terms energy: -44.783879 where: bonds (distance) C4'-P energy: -12.885 bonds (distance) P-C4' energy: -11.195 flat angles C4'-P-C4' energy: -11.747 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -4.760 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: 9 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -87.121569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.121569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.121569 (E_RNA) where: Base-Base interactions energy: -36.429 where: short stacking energy: -33.034 Base-Backbone interact. energy: -0.514 local terms energy: -50.178329 where: bonds (distance) C4'-P energy: -10.331 bonds (distance) P-C4' energy: -13.195 flat angles C4'-P-C4' energy: -15.017 flat angles P-C4'-P energy: -10.227 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -77.844909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.844909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.844909 (E_RNA) where: Base-Base interactions energy: -30.172 where: short stacking energy: -30.172 Base-Backbone interact. energy: -0.119 local terms energy: -47.553835 where: bonds (distance) C4'-P energy: -12.924 bonds (distance) P-C4' energy: -8.899 flat angles C4'-P-C4' energy: -10.837 flat angles P-C4'-P energy: -9.800 tors. eta vs tors. theta energy: -5.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -69.781701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.781701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.781701 (E_RNA) where: Base-Base interactions energy: -26.310 where: short stacking energy: -26.310 Base-Backbone interact. energy: -0.349 local terms energy: -43.122597 where: bonds (distance) C4'-P energy: -8.575 bonds (distance) P-C4' energy: -10.056 flat angles C4'-P-C4' energy: -10.864 flat angles P-C4'-P energy: -7.082 tors. eta vs tors. theta energy: -6.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -154.732903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.732903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.732903 (E_RNA) where: Base-Base interactions energy: -92.217 where: short stacking energy: -55.345 Base-Backbone interact. energy: 0.027 local terms energy: -62.543287 where: bonds (distance) C4'-P energy: -11.821 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -14.954 flat angles P-C4'-P energy: -9.222 tors. eta vs tors. theta energy: -11.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -147.903591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.903591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.903591 (E_RNA) where: Base-Base interactions energy: -88.405 where: short stacking energy: -57.621 Base-Backbone interact. energy: -0.098 local terms energy: -59.400678 where: bonds (distance) C4'-P energy: -10.626 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -15.606 flat angles P-C4'-P energy: -8.678 tors. eta vs tors. theta energy: -10.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -144.389342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.389342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.389342 (E_RNA) where: Base-Base interactions energy: -88.703 where: short stacking energy: -56.062 Base-Backbone interact. energy: -0.133 local terms energy: -55.553374 where: bonds (distance) C4'-P energy: -10.604 bonds (distance) P-C4' energy: -10.384 flat angles C4'-P-C4' energy: -14.175 flat angles P-C4'-P energy: -8.600 tors. eta vs tors. theta energy: -11.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -147.283094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.283094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.283094 (E_RNA) where: Base-Base interactions energy: -90.591 where: short stacking energy: -59.321 Base-Backbone interact. energy: -0.108 local terms energy: -56.584230 where: bonds (distance) C4'-P energy: -13.373 bonds (distance) P-C4' energy: -9.749 flat angles C4'-P-C4' energy: -14.468 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -13.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -98.003599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.003599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.003599 (E_RNA) where: Base-Base interactions energy: -43.388 where: short stacking energy: -43.388 Base-Backbone interact. energy: -0.024 local terms energy: -54.591180 where: bonds (distance) C4'-P energy: -11.250 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -12.970 flat angles P-C4'-P energy: -8.451 tors. eta vs tors. theta energy: -8.845 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: 496 Temperature: 1.150000 Total energy: -83.156542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.156542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.156542 (E_RNA) where: Base-Base interactions energy: -36.960 where: short stacking energy: -35.856 Base-Backbone interact. energy: -0.042 local terms energy: -46.154492 where: bonds (distance) C4'-P energy: -10.808 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -7.862 tors. eta vs tors. theta energy: -8.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -92.134741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.134741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.134741 (E_RNA) where: Base-Base interactions energy: -43.048 where: short stacking energy: -43.348 Base-Backbone interact. energy: -0.114 local terms energy: -48.973096 where: bonds (distance) C4'-P energy: -8.398 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -9.391 flat angles P-C4'-P energy: -9.393 tors. eta vs tors. theta energy: -6.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -93.136678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.136678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.136678 (E_RNA) where: Base-Base interactions energy: -44.965 where: short stacking energy: -44.965 Base-Backbone interact. energy: -0.003 local terms energy: -48.169220 where: bonds (distance) C4'-P energy: -9.187 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -11.837 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -6.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -78.752099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.752099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.752099 (E_RNA) where: Base-Base interactions energy: -33.663 where: short stacking energy: -32.668 Base-Backbone interact. energy: 0.885 local terms energy: -45.974380 where: bonds (distance) C4'-P energy: -11.974 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -8.504 tors. eta vs tors. theta energy: -3.144 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: 1 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -77.186881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.186881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.186881 (E_RNA) where: Base-Base interactions energy: -31.224 where: short stacking energy: -18.311 Base-Backbone interact. energy: -0.106 local terms energy: -45.857364 where: bonds (distance) C4'-P energy: -14.273 bonds (distance) P-C4' energy: -15.168 flat angles C4'-P-C4' energy: -10.917 flat angles P-C4'-P energy: -5.537 tors. eta vs tors. theta energy: 0.038 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: 4 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -157.841064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.841064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.841064 (E_RNA) where: Base-Base interactions energy: -93.147 where: short stacking energy: -60.156 Base-Backbone interact. energy: -0.193 local terms energy: -64.501367 where: bonds (distance) C4'-P energy: -12.518 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -12.501 flat angles P-C4'-P energy: -7.460 tors. eta vs tors. theta energy: -17.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -150.111858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.111858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.111858 (E_RNA) where: Base-Base interactions energy: -86.784 where: short stacking energy: -53.966 Base-Backbone interact. energy: -0.017 local terms energy: -63.310945 where: bonds (distance) C4'-P energy: -14.228 bonds (distance) P-C4' energy: -14.807 flat angles C4'-P-C4' energy: -13.935 flat angles P-C4'-P energy: -7.209 tors. eta vs tors. theta energy: -13.132 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: 5 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -141.961592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.961592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.961592 (E_RNA) where: Base-Base interactions energy: -87.298 where: short stacking energy: -57.326 Base-Backbone interact. energy: -0.071 local terms energy: -54.591948 where: bonds (distance) C4'-P energy: -10.818 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -8.092 flat angles P-C4'-P energy: -10.155 tors. eta vs tors. theta energy: -10.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -141.992442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.992442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.992442 (E_RNA) where: Base-Base interactions energy: -86.661 where: short stacking energy: -51.046 Base-Backbone interact. energy: -0.340 local terms energy: -54.990686 where: bonds (distance) C4'-P energy: -13.135 bonds (distance) P-C4' energy: -12.292 flat angles C4'-P-C4' energy: -8.738 flat angles P-C4'-P energy: -11.807 tors. eta vs tors. theta energy: -9.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -99.851413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.851413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.851413 (E_RNA) where: Base-Base interactions energy: -51.009 where: short stacking energy: -49.381 Base-Backbone interact. energy: -0.199 local terms energy: -48.643395 where: bonds (distance) C4'-P energy: -10.720 bonds (distance) P-C4' energy: -8.666 flat angles C4'-P-C4' energy: -8.747 flat angles P-C4'-P energy: -9.004 tors. eta vs tors. theta energy: -11.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -93.046963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.046963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.046963 (E_RNA) where: Base-Base interactions energy: -48.842 where: short stacking energy: -34.016 Base-Backbone interact. energy: -0.335 local terms energy: -43.870228 where: bonds (distance) C4'-P energy: -10.818 bonds (distance) P-C4' energy: -10.319 flat angles C4'-P-C4' energy: -11.697 flat angles P-C4'-P energy: -5.122 tors. eta vs tors. theta energy: -5.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -73.713906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.713906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.713906 (E_RNA) where: Base-Base interactions energy: -30.688 where: short stacking energy: -25.588 Base-Backbone interact. energy: -0.566 local terms energy: -42.459506 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -13.814 flat angles C4'-P-C4' energy: -9.215 flat angles P-C4'-P energy: -11.252 tors. eta vs tors. theta energy: 5.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -72.547900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.547900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.547900 (E_RNA) where: Base-Base interactions energy: -27.402 where: short stacking energy: -23.768 Base-Backbone interact. energy: -0.115 local terms energy: -45.030748 where: bonds (distance) C4'-P energy: -15.108 bonds (distance) P-C4' energy: -13.436 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -8.583 tors. eta vs tors. theta energy: -0.998 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: 9, replica: 9 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -91.338761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.338761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.338761 (E_RNA) where: Base-Base interactions energy: -39.279 where: short stacking energy: -33.434 Base-Backbone interact. energy: -0.225 local terms energy: -51.835196 where: bonds (distance) C4'-P energy: -13.283 bonds (distance) P-C4' energy: -11.691 flat angles C4'-P-C4' energy: -11.805 flat angles P-C4'-P energy: -11.543 tors. eta vs tors. theta energy: -3.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -73.102353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.102353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.102353 (E_RNA) where: Base-Base interactions energy: -23.798 where: short stacking energy: -21.827 Base-Backbone interact. energy: -0.254 local terms energy: -49.050204 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -13.515 flat angles C4'-P-C4' energy: -12.670 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -5.889 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) out arg RESULTS//1/EBNA1_gar-bcb0eabb_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 2 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -156.852655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.852655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.852655 (E_RNA) where: Base-Base interactions energy: -93.385 where: short stacking energy: -58.989 Base-Backbone interact. energy: -0.415 local terms energy: -63.053279 where: bonds (distance) C4'-P energy: -14.057 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -12.495 flat angles P-C4'-P energy: -9.862 tors. eta vs tors. theta energy: -13.107 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: 498 Temperature: 0.950000 Total energy: -150.056410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.056410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.056410 (E_RNA) where: Base-Base interactions energy: -87.636 where: short stacking energy: -54.845 Base-Backbone interact. energy: -0.081 local terms energy: -62.339178 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -11.803 flat angles P-C4'-P energy: -10.918 tors. eta vs tors. theta energy: -10.402 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: 7 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -145.737871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.737871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.737871 (E_RNA) where: Base-Base interactions energy: -82.420 where: short stacking energy: -51.011 Base-Backbone interact. energy: -0.076 local terms energy: -63.241246 where: bonds (distance) C4'-P energy: -13.571 bonds (distance) P-C4' energy: -13.306 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -9.981 tors. eta vs tors. theta energy: -13.372 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: 4, replica: 5 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -140.037461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.037461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.037461 (E_RNA) where: Base-Base interactions energy: -82.441 where: short stacking energy: -49.417 Base-Backbone interact. energy: -0.001 local terms energy: -57.595444 where: bonds (distance) C4'-P energy: -14.032 bonds (distance) P-C4' energy: -11.980 flat angles C4'-P-C4' energy: -12.328 flat angles P-C4'-P energy: -10.593 tors. eta vs tors. theta energy: -8.662 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: 10 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -103.915319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.915319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.915319 (E_RNA) where: Base-Base interactions energy: -50.550 where: short stacking energy: -47.155 Base-Backbone interact. energy: -0.031 local terms energy: -53.334883 where: bonds (distance) C4'-P energy: -10.998 bonds (distance) P-C4' energy: -11.219 flat angles C4'-P-C4' energy: -12.879 flat angles P-C4'-P energy: -8.380 tors. eta vs tors. theta energy: -9.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -100.319361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.319361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.319361 (E_RNA) where: Base-Base interactions energy: -50.055 where: short stacking energy: -50.055 Base-Backbone interact. energy: 0.166 local terms energy: -50.430153 where: bonds (distance) C4'-P energy: -10.026 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -13.196 flat angles P-C4'-P energy: -6.329 tors. eta vs tors. theta energy: -7.988 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: 7, replica: 3 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -103.102374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.102374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.102374 (E_RNA) where: Base-Base interactions energy: -50.837 where: short stacking energy: -37.626 Base-Backbone interact. energy: -0.004 local terms energy: -52.261135 where: bonds (distance) C4'-P energy: -8.190 bonds (distance) P-C4' energy: -14.100 flat angles C4'-P-C4' energy: -13.238 flat angles P-C4'-P energy: -11.595 tors. eta vs tors. theta energy: -5.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -84.571240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.571240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.571240 (E_RNA) where: Base-Base interactions energy: -41.554 where: short stacking energy: -35.475 Base-Backbone interact. energy: -0.196 local terms energy: -42.821471 where: bonds (distance) C4'-P energy: -5.396 bonds (distance) P-C4' energy: -9.911 flat angles C4'-P-C4' energy: -12.723 flat angles P-C4'-P energy: -9.991 tors. eta vs tors. theta energy: -4.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -91.952027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.952027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.952027 (E_RNA) where: Base-Base interactions energy: -47.122 where: short stacking energy: -39.729 Base-Backbone interact. energy: -0.418 local terms energy: -44.411207 where: bonds (distance) C4'-P energy: -9.296 bonds (distance) P-C4' energy: -10.137 flat angles C4'-P-C4' energy: -10.790 flat angles P-C4'-P energy: -7.821 tors. eta vs tors. theta energy: -6.369 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: 9 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -80.638406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.638406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.638406 (E_RNA) where: Base-Base interactions energy: -36.679 where: short stacking energy: -34.553 Base-Backbone interact. energy: -0.033 local terms energy: -43.925946 where: bonds (distance) C4'-P energy: -13.719 bonds (distance) P-C4' energy: -10.844 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -7.321 tors. eta vs tors. theta energy: -6.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 2 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -154.110920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.110920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.110920 (E_RNA) where: Base-Base interactions energy: -92.614 where: short stacking energy: -55.920 Base-Backbone interact. energy: -0.002 local terms energy: -61.495497 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -10.694 flat angles P-C4'-P energy: -8.865 tors. eta vs tors. theta energy: -14.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -151.717938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.717938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.717938 (E_RNA) where: Base-Base interactions energy: -90.553 where: short stacking energy: -56.974 Base-Backbone interact. energy: 0.168 local terms energy: -61.333658 where: bonds (distance) C4'-P energy: -10.211 bonds (distance) P-C4' energy: -13.697 flat angles C4'-P-C4' energy: -14.174 flat angles P-C4'-P energy: -10.861 tors. eta vs tors. theta energy: -12.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -144.136499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.136499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.136499 (E_RNA) where: Base-Base interactions energy: -87.123 where: short stacking energy: -50.334 Base-Backbone interact. energy: -0.100 local terms energy: -56.913699 where: bonds (distance) C4'-P energy: -13.982 bonds (distance) P-C4' energy: -12.587 flat angles C4'-P-C4' energy: -13.563 flat angles P-C4'-P energy: -6.888 tors. eta vs tors. theta energy: -9.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -140.636477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.636477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.636477 (E_RNA) where: Base-Base interactions energy: -85.410 where: short stacking energy: -54.800 Base-Backbone interact. energy: 0.839 local terms energy: -56.064852 where: bonds (distance) C4'-P energy: -13.825 bonds (distance) P-C4' energy: -11.785 flat angles C4'-P-C4' energy: -12.698 flat angles P-C4'-P energy: -10.030 tors. eta vs tors. theta energy: -7.728 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: 10 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -92.877998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.877998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.877998 (E_RNA) where: Base-Base interactions energy: -42.428 where: short stacking energy: -37.564 Base-Backbone interact. energy: -0.221 local terms energy: -50.228873 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -13.134 flat angles C4'-P-C4' energy: -10.940 flat angles P-C4'-P energy: -6.144 tors. eta vs tors. theta energy: -6.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -105.757749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.757749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.757749 (E_RNA) where: Base-Base interactions energy: -43.310 where: short stacking energy: -43.310 Base-Backbone interact. energy: -0.003 local terms energy: -62.445420 where: bonds (distance) C4'-P energy: -13.316 bonds (distance) P-C4' energy: -15.032 flat angles C4'-P-C4' energy: -13.225 flat angles P-C4'-P energy: -7.665 tors. eta vs tors. theta energy: -13.207 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: 3 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -86.010715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.010715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.010715 (E_RNA) where: Base-Base interactions energy: -41.337 where: short stacking energy: -29.007 Base-Backbone interact. energy: -0.532 local terms energy: -44.141774 where: bonds (distance) C4'-P energy: -9.664 bonds (distance) P-C4' energy: -14.869 flat angles C4'-P-C4' energy: -8.187 flat angles P-C4'-P energy: -7.676 tors. eta vs tors. theta energy: -3.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -84.797742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.797742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.797742 (E_RNA) where: Base-Base interactions energy: -32.208 where: short stacking energy: -30.789 Base-Backbone interact. energy: -0.049 local terms energy: -52.541536 where: bonds (distance) C4'-P energy: -12.196 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -11.449 flat angles P-C4'-P energy: -9.749 tors. eta vs tors. theta energy: -5.830 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: 8 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -80.075912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.075912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.075912 (E_RNA) where: Base-Base interactions energy: -34.603 where: short stacking energy: -32.591 Base-Backbone interact. energy: 0.377 local terms energy: -45.849392 where: bonds (distance) C4'-P energy: -11.618 bonds (distance) P-C4' energy: -11.937 flat angles C4'-P-C4' energy: -12.711 flat angles P-C4'-P energy: -7.358 tors. eta vs tors. theta energy: -2.226 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: 10, replica: 9 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -66.096499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.096499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.096499 (E_RNA) where: Base-Base interactions energy: -28.707 where: short stacking energy: -27.092 Base-Backbone interact. energy: -0.011 local terms energy: -37.379055 where: bonds (distance) C4'-P energy: -13.129 bonds (distance) P-C4' energy: -12.691 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -7.455 tors. eta vs tors. theta energy: -0.108 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 7 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -161.178167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.178167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.178167 (E_RNA) where: Base-Base interactions energy: -98.877 where: short stacking energy: -63.036 Base-Backbone interact. energy: -0.001 local terms energy: -62.300141 where: bonds (distance) C4'-P energy: -12.132 bonds (distance) P-C4' energy: -14.771 flat angles C4'-P-C4' energy: -9.074 flat angles P-C4'-P energy: -10.731 tors. eta vs tors. theta energy: -15.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -149.245877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.245877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.245877 (E_RNA) where: Base-Base interactions energy: -85.553 where: short stacking energy: -57.474 Base-Backbone interact. energy: -0.593 local terms energy: -63.100288 where: bonds (distance) C4'-P energy: -13.829 bonds (distance) P-C4' energy: -15.547 flat angles C4'-P-C4' energy: -13.929 flat angles P-C4'-P energy: -9.901 tors. eta vs tors. theta energy: -9.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -152.302815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.302815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.302815 (E_RNA) where: Base-Base interactions energy: -86.447 where: short stacking energy: -58.692 Base-Backbone interact. energy: -0.002 local terms energy: -65.854227 where: bonds (distance) C4'-P energy: -14.653 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -13.357 flat angles P-C4'-P energy: -11.374 tors. eta vs tors. theta energy: -11.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -140.581729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.581729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.581729 (E_RNA) where: Base-Base interactions energy: -85.783 where: short stacking energy: -50.105 Base-Backbone interact. energy: -0.640 local terms energy: -54.158380 where: bonds (distance) C4'-P energy: -14.657 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: -9.464 tors. eta vs tors. theta energy: -11.394 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: 5, replica: 10 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -98.738935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.738935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.738935 (E_RNA) where: Base-Base interactions energy: -47.543 where: short stacking energy: -47.543 Base-Backbone interact. energy: -0.056 local terms energy: -51.140269 where: bonds (distance) C4'-P energy: -6.995 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -12.028 flat angles P-C4'-P energy: -8.135 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: 6, replica: 6 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -113.876649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.876649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.876649 (E_RNA) where: Base-Base interactions energy: -66.791 where: short stacking energy: -40.151 Base-Backbone interact. energy: -0.165 local terms energy: -46.920485 where: bonds (distance) C4'-P energy: -9.889 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -11.021 flat angles P-C4'-P energy: -6.204 tors. eta vs tors. theta energy: -6.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -81.506136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.506136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.506136 (E_RNA) where: Base-Base interactions energy: -34.467 where: short stacking energy: -31.609 Base-Backbone interact. energy: -0.324 local terms energy: -46.715557 where: bonds (distance) C4'-P energy: -11.733 bonds (distance) P-C4' energy: -14.976 flat angles C4'-P-C4' energy: -11.201 flat angles P-C4'-P energy: -6.898 tors. eta vs tors. theta energy: -1.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -90.336113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.336113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.336113 (E_RNA) where: Base-Base interactions energy: -42.257 where: short stacking energy: -38.323 Base-Backbone interact. energy: -0.191 local terms energy: -47.888300 where: bonds (distance) C4'-P energy: -8.323 bonds (distance) P-C4' energy: -12.422 flat angles C4'-P-C4' energy: -14.384 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -7.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -76.408606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.408606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.408606 (E_RNA) where: Base-Base interactions energy: -35.968 where: short stacking energy: -24.229 Base-Backbone interact. energy: -0.099 local terms energy: -40.341147 where: bonds (distance) C4'-P energy: -11.272 bonds (distance) P-C4' energy: -12.637 flat angles C4'-P-C4' energy: -8.354 flat angles P-C4'-P energy: -5.639 tors. eta vs tors. theta energy: -2.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -74.911141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.911141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.911141 (E_RNA) where: Base-Base interactions energy: -34.117 where: short stacking energy: -30.627 Base-Backbone interact. energy: -0.560 local terms energy: -40.234419 where: bonds (distance) C4'-P energy: -7.561 bonds (distance) P-C4' energy: -9.490 flat angles C4'-P-C4' energy: -10.907 flat angles P-C4'-P energy: -6.578 tors. eta vs tors. theta energy: -5.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 7 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -164.930391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.930391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.930391 (E_RNA) where: Base-Base interactions energy: -99.376 where: short stacking energy: -62.405 Base-Backbone interact. energy: -1.012 local terms energy: -64.542060 where: bonds (distance) C4'-P energy: -13.766 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -13.251 flat angles P-C4'-P energy: -9.593 tors. eta vs tors. theta energy: -11.943 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: 5 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -151.947330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.947330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.947330 (E_RNA) where: Base-Base interactions energy: -95.393 where: short stacking energy: -58.609 Base-Backbone interact. energy: -0.021 local terms energy: -56.533529 where: bonds (distance) C4'-P energy: -11.014 bonds (distance) P-C4' energy: -12.986 flat angles C4'-P-C4' energy: -11.719 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -13.417 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: 501 Temperature: 1.000000 Total energy: -147.354382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.354382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.354382 (E_RNA) where: Base-Base interactions energy: -86.024 where: short stacking energy: -57.172 Base-Backbone interact. energy: -0.013 local terms energy: -61.317835 where: bonds (distance) C4'-P energy: -8.041 bonds (distance) P-C4' energy: -15.949 flat angles C4'-P-C4' energy: -12.344 flat angles P-C4'-P energy: -9.986 tors. eta vs tors. theta energy: -14.998 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: 4 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -148.935818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.935818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.935818 (E_RNA) where: Base-Base interactions energy: -90.718 where: short stacking energy: -59.335 Base-Backbone interact. energy: -0.028 local terms energy: -58.189623 where: bonds (distance) C4'-P energy: -15.295 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -11.928 flat angles P-C4'-P energy: -5.965 tors. eta vs tors. theta energy: -11.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -97.200559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.200559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.200559 (E_RNA) where: Base-Base interactions energy: -45.759 where: short stacking energy: -40.583 Base-Backbone interact. energy: -0.000 local terms energy: -51.441268 where: bonds (distance) C4'-P energy: -9.796 bonds (distance) P-C4' energy: -12.600 flat angles C4'-P-C4' energy: -11.701 flat angles P-C4'-P energy: -8.538 tors. eta vs tors. theta energy: -8.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -103.769536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.769536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.769536 (E_RNA) where: Base-Base interactions energy: -55.170 where: short stacking energy: -37.680 Base-Backbone interact. energy: -1.337 local terms energy: -47.263118 where: bonds (distance) C4'-P energy: -10.666 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -8.137 flat angles P-C4'-P energy: -8.545 tors. eta vs tors. theta energy: -6.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -118.058748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.058748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.058748 (E_RNA) where: Base-Base interactions energy: -61.264 where: short stacking energy: -37.994 Base-Backbone interact. energy: -0.106 local terms energy: -56.689669 where: bonds (distance) C4'-P energy: -14.458 bonds (distance) P-C4' energy: -14.097 flat angles C4'-P-C4' energy: -11.827 flat angles P-C4'-P energy: -8.898 tors. eta vs tors. theta energy: -7.410 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: 9 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -85.100151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.100151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.100151 (E_RNA) where: Base-Base interactions energy: -46.966 where: short stacking energy: -28.754 Base-Backbone interact. energy: -0.382 local terms energy: -37.751745 where: bonds (distance) C4'-P energy: -1.052 bonds (distance) P-C4' energy: -12.672 flat angles C4'-P-C4' energy: -10.241 flat angles P-C4'-P energy: -7.039 tors. eta vs tors. theta energy: -6.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -85.531111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.531111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.531111 (E_RNA) where: Base-Base interactions energy: -36.672 where: short stacking energy: -35.813 Base-Backbone interact. energy: -0.194 local terms energy: -48.664597 where: bonds (distance) C4'-P energy: -8.551 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -9.817 flat angles P-C4'-P energy: -10.118 tors. eta vs tors. theta energy: -5.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -80.188277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.188277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.188277 (E_RNA) where: Base-Base interactions energy: -39.635 where: short stacking energy: -37.485 Base-Backbone interact. energy: -0.046 local terms energy: -40.508051 where: bonds (distance) C4'-P energy: -7.004 bonds (distance) P-C4' energy: -8.767 flat angles C4'-P-C4' energy: -11.058 flat angles P-C4'-P energy: -7.471 tors. eta vs tors. theta energy: -6.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 5 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 16707740 moves confirmed later: 19745759 all moves confirmed: 36453499 percent of confirmed moves: 4.556687 current total energy: -106.905715 recalc. total energy: -106.905715 replica 7 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 17903846 moves confirmed later: 21302742 all moves confirmed: 39206588 percent of confirmed moves: 4.900824 current total energy: -146.217955 recalc. total energy: -146.217955 replica 4 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 16457396 moves confirmed later: 19372179 all moves confirmed: 35829575 percent of confirmed moves: 4.478697 current total energy: -109.473148 recalc. total energy: -109.473148 replica 2 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 14582738 moves confirmed later: 16823343 all moves confirmed: 31406081 percent of confirmed moves: 3.925760 current total energy: -111.989859 recalc. total energy: -111.989859 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 18173741 moves confirmed later: 21688178 all moves confirmed: 39861919 percent of confirmed moves: 4.982740 current total energy: -66.322783 recalc. total energy: -66.322783 replica 10 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 17506475 moves confirmed later: 20795236 all moves confirmed: 38301711 percent of confirmed moves: 4.787714 current total energy: -71.925331 recalc. total energy: -71.925331 replica 6 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 15461871 moves confirmed later: 18000487 all moves confirmed: 33462358 percent of confirmed moves: 4.182795 current total energy: -60.686394 recalc. total energy: -60.686394 replica 9 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 20421432 moves confirmed later: 24720389 all moves confirmed: 45141821 percent of confirmed moves: 5.642728 current total energy: -39.613650 recalc. total energy: -39.613650 replica 8 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 20246258 moves confirmed later: 24466306 all moves confirmed: 44712564 percent of confirmed moves: 5.589071 current total energy: -52.706438 recalc. total energy: -52.706438 replica 3 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 16014332 moves confirmed later: 18758436 all moves confirmed: 34772768 percent of confirmed moves: 4.346596 current total energy: -43.904821 recalc. total energy: -43.904821 Time of doing 8000000 iterations: 1440.040 seconds